Molecule_ID,SMILES,InChI_Key
00107DA52DAF53F7_58520FFB6A8B3E77_6035_UN,O(C1CC2CC1C3CC23)C4=CC(=CC(=C4)C(F)(F)F)OC,WGINUMPOFIAACD-UHFFFAOYSA-N
0019175DFE0C3DE6_B6F557713B9FCA64_6041_UN,C[N]1C=NC(=C1OC2=CC=C(C=C2)NC3=C(CC)C=CC(=C3)[S](=O)(=O)O)[N](=O)=O,ZMKNCTFFHASFRU-UHFFFAOYSA-N
00325E4A25BF63D1_7209DD01A857EE62_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C2=CC(=C(C=C2)F)[S](=O)(=O)N3CCOCC3,ITCKYZYXDBRSMO-UHFFFAOYSA-N
00B885F4C0F689EA_87A33E5F26506FA3_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C3=CC=C([S](N2CC(CC(C)C2)C)(=O)=O)C=C3)=O,DTPPBEPRNTUCIT-UHFFFAOYSA-N
015D06FFBB5E62BF_BB3AAD36EF835843_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C2=C(C=CC=C2)N[S](=O)(=O)C3=CC4=C(C=C3)OCCO4,WQPICBSHMWWZIP-UHFFFAOYSA-N
01D82F2EEC0AB242_C59B4542D2F53EFE_6039_UN,CO[C@]2(C[C@@H](OCC(OC)C1CCOC1)C2)C(F)(F)F,OCICABAWSZDFME-NGMURSQQSA-N
01FE7B01BE1682ED_FD936E7EE1B227D2_6031_UN,O(C(=O)C2(CC1=CC=C(C=C1)Br)CC2)CC3CCCCC3C(F)(F)F,YYQFCTQYPXVDCX-UHFFFAOYSA-N
0300FA61486736BF_3041D352B2EADDB6_6035_UN,CCC[C@@H](OC1=CC(=CC(=C1)F)C2CCCNC2)CC,DLYVTOHGUHGFJS-VYIIXAMBSA-N
0347951EA8B6A081_91AEE2C471DBDF8E_6043_UN,OC1=C(C=CC=C1)N[S](C3=CC2=C(N(C)C(=O)N2C)C=C3)(=O)=O,XEVIUXRNIXOOKW-UHFFFAOYSA-N
03713A9D9EFC792C_FF2E5B8B13614324_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C3=CC=C([S](NC2=CC=C(C)C=C2)(=O)=O)C=C3)=O,MYZUBJHJDWOIFJ-UHFFFAOYSA-N
0401DB1EDBA02C6E_F46BEBC13665920A_6041_DP,C[N]1C(=NC2=C1C=CC=C2F)NCC34CCCNC3C4,RRZTXAOZAAORAA-UHFFFAOYSA-N
04058A4CC069E87C_C528BB358CC80386_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C4=CC2=C([N](N=C2C)C3=CC=CC=C3)S4)=O,ITQWNGOMKJSGKK-UHFFFAOYSA-N
05AD4D3E85293F96_C6AB62C752A1D10C_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC3=CC=C(N(C)C(=O)C2=CC=NC=C2)C=C3,UHZSOPFWCRIISM-UHFFFAOYSA-N
067F6B2AD9B546D7_17A425E20702C32E_6039_DP,CC[C@H](OCCCC1CCNCC1)C2=CC(=C(C=C2)C)F,IKPBCUZSBHZWPN-SFHVURJKSA-N
068D699221F46396_0E8CB3BD4D9F120A_6035_DP,CO[C@@H]3C[C@@H](COC1=CC(=C(C)C=C1C2CNCC2)Cl)NC3,OFRCBJOKAFYVLL-KFTPUPIBSA-N
07D5E61E9A6AECA8_6D8301FA44013BFC_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C2=CC=C(C=C2)[S](=O)(=O)N3CCCCCC3,IHFMBLXDZUYHEI-UHFFFAOYSA-N
08600135461B73A3_76864AF02D5242F9_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C3=CC(=C(N2CC(CC(C)C2)C)C=C3)[N](=O)=O)=O,STIFMEBHPQNKQR-UHFFFAOYSA-N
098D9A13E75BFA5F_17D7C31755E2DC52_6035_UN,O(CC1(CNCC1)C2CCOCC2)C3=C(N)C=C(C=C3)Cl,WGGAJDOQSMUMRC-UHFFFAOYSA-N
09D0EBC8C70783A4_07EFC00B26E02614_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C3=CC=C([S](NC2=CC=CC(=C2C)C)(=O)=O)C=C3)=O,FVGWBEIRRLNKEY-UHFFFAOYSA-N
0A15EF3DE1FD1D00_0AA718D50BF44DD0_6035_UN,O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C3=CC(=CC(=C3)F)C4CCCNC4,QPRCOKBVGTXIAX-IETDOYPPSA-N
0BA23DCA66186E5D_CAF6EFCE371599BC_7022_UN,CC(C)C1=CC(=C(C=C1)OC2COCC2CC3CC3)F,LVAZSHUCCGEPJP-UHFFFAOYSA-N
0BEA0F924903CB7A_24632A3C902EB714_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C2=C[N](N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4,CMVAOCJSMQPBMX-UHFFFAOYSA-N
0C344641E42CD0FD_30496380552C2C49_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(CCCOC2=CC=C(C)C=C2)=O,MQWARTAUUVWCNI-UHFFFAOYSA-N
0D61EAF54A20E807_BE7387077E4609E6_6041_DP,CC(C)C2=C1N=C(C=C(C1=CC=C2)C)NCC(C3CNC3)F,HVUFGIZQWWWUEV-UHFFFAOYSA-N
0D62669B88A6EF78_DFEBEDF20E86BB65_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C2=CC(=C(C=C2)OC(C)C)OC)=O,CPBLZAKCYICPLL-UHFFFAOYSA-N
0ED6C4FF102C99FE_C511438B5393E44C_6039_UN,O(C1CCOC(C1)C2CCOC2)CCC3OCCC3C,FRJWXNJELYDQRQ-UHFFFAOYSA-N
0ED8F5EA0F40A4F2_A706024563FB7F5F_6039_DP,O(CC2CCC1COCCC1C2)C[C@@H]3CNCC(O3)(C)C,MARUAXWKMIFJJO-AUSYRVNMSA-N
10BBFBEE013182DE_5A098737A7D0427C_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C2CCCN2C(=O)C3=CC=CS3,WXTKLCYSENLEIR-UHFFFAOYSA-N
12006312FBF53BC7_7719F56B70227B68_6031_UN,O(C(=O)CNCC1=CC=C(C=C1)Cl)CC2C(CNCC2)C3=CC=CC=C3,GPMPHRWGCOIKMK-UHFFFAOYSA-N
12A44E29480FE03E_B87EEEFD8FFB95E7_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(CC2=C[NH]C3=C2C=C(OC)C=C3)=O,BHZXTXDJPWFAEE-UHFFFAOYSA-N
12A4566136F7726C_D372C03B61D10744_6035_UN,O(CC1=CC=C(C=C1)C2CCNCC2)C3=C(C=CC(=C3)C)[N](=O)=O,WKRZLTNICDICJN-UHFFFAOYSA-N
1555E61684976467_82856E0EE96FC681_6031_UN,CSCCC1NC(CS1)C(=O)OCC2CC3(CO2)CCOCC3,HMIDGYBUJZIBLZ-UHFFFAOYSA-N
156A43F37C18428E_661F4282D1673E9C_6035_UN,O(CCC1CCCC2CC12)C3=C(C=C(C(CC)(C)C)C=C3)Cl,NVASKKQMIJETFB-UHFFFAOYSA-N
15A1F2F6AB350456_93439EC220951851_6035_UN,COC1(CNCCC1)COC2=CC(=C(C)C=C2C3CNCC3)Cl,XHERTFDAPYHILV-UHFFFAOYSA-N
16BDFB8245455CE4_D2598C09B2180B52_6034_UN,C1OCCN(C1)C3=CC2=C(C=CC=C2)N3C4=C(N)NC(NC4=O)=O,CGHONWADHSQJAL-UHFFFAOYSA-N
18A9DB2A0A08E720_45943C5297B62C5F_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C2=CC(=NC3=CC(=N[N]23)C)C)=O,FUSLAPRSDURWLK-UHFFFAOYSA-N
18A9E4283B90A9D3_271954C8B1C768B1_6031_DP,NC[C@@]1(F)CC[C@@H](C1)C(=O)OCC2CNCC23CNC3,CULTWWRRMXXEJA-PFSRQVJMSA-N
1947CE320B006051_326C799348A2A182_6035_UN,O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C3=C(C=CC=C3)CC4CCNCC4,WFDHSBCLYAEHQD-WMZHIEFXSA-N
19A287A1E49F4EF8_5E298AD1A23E778C_6035_UN,O(C(C1CNCCC1)C2=CC=CC=C2)C3=CC(=CC=C3)CCl,FYSQQVLIDZGMAO-UHFFFAOYSA-N
1D074255A1B95180_167AF0BFB75BD1D9_6035_UN,O(CC1(CNCC1)C2CCOCC2)C3=C(N)C=C(C=C3F)Cl,MKFXLYZFFLRSKY-UHFFFAOYSA-N
1D100CC3502F46CA_D0D71C69DE67EB01_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C4=CC2=C([N](N=C2C)C3=CC=C(C=C3)F)S4)=O,AUUWAASQXAFCKA-UHFFFAOYSA-N
1D51D20B89BDAA1C_0DE302AD60599C9F_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C(N[S](C2=CC=C(C)C=C2)(=O)=O)CCC(=O)N)=O,WCKANRIGTYYNDX-UHFFFAOYSA-N
1E339BF50E812A0E_67B1EF28A3292133_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C(CCSC)N[S](=O)(=O)C2=CC3=C(C=C2)OCCO3)=O,ZDCIYQMDPBGXTO-UHFFFAOYSA-N
1F49A982BA86EC5A_91AD197593210D26_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)CSCC2=CC=CC=C2,HPTMDXRYTJSTCG-UHFFFAOYSA-N
234147F9A38E9F33_B77E44AE09DE05DD_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C2=CC=CC(=C2)[S](N(CC)CC)(=O)=O)=O,ARSLNQMDSZRQQP-UHFFFAOYSA-N
23C4578E8FC64293_9EC5D4180F1E38E8_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C2=C(C=CC(=C2)[S](NC3=CC=C(OCC)C=C3)(=O)=O)C)=O,SUEUITIFWJLVPP-UHFFFAOYSA-N
241640B60CD3AE8E_0339EE5E6AEFF405_6029_UN,N(CCC1CC2CCC1C2)[S](C3=C(OC)C=CC(=C3)I)(=O)=O,WKBBXFDGPSJLRR-UHFFFAOYSA-N
24C68DE20B59890E_87785DFE40C3531B_7022_UN,C1(=C(C(=C(C=C1)F)F)F)O[C@H](C)C2CCC(C)(C)CC2,RKJSMGQGXUTANL-SNVBAGLBSA-N
274156FA51952D8A_3D03C59891BB2FE9_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C3=C2C=CC=CC2=NC4=C3CCCC4=CC5=CC(=CC=C5)[N](=O)=O,QCTQUNGZHNNTAV-UHFFFAOYSA-N
27A3924E49708FEE_1647353580A3AA8C_6035_UN,O(C[C@H]1[C@@H](CNC1)C2CCOCC2)C3=C(C)C=CC=C3F,MXNDNDQVFMSABU-GJZGRUSLSA-N
281B360F304148F7_AEE290DFF8EFD388_6035_DP,N[C@@H]1[C@H]4CN[C@@H]1[C@@H](OC2=C(C(=CC=C2)C3CNCCC3)F)C4,LPKXBFCYNKRYQI-YJIRRYSYSA-N
2891CD2F57D4B614_9E5BF06A7902B95A_6031_DP,O(C(=O)CC2CC1=C(C=CC=C1)O2)CC3CNCCNC3,ZDWRKUZWYSYOLF-UHFFFAOYSA-N
2905D11EC19F8A98_7682AF259E1B22D1_6031_UN,O(C(=O)C2(CCC1=CC=CC=C1)CC2)CC3CCCCC3C(F)(F)F,MKNCEAIRPQBLPL-UHFFFAOYSA-N
2976A4823DB561C2_25203B4C001561BB_6043_UN,CC1=C(C=C([N](=C1)=O)N[S](=O)(=O)C2=C(C=CC(=C2)F)O)[N](=O)=O,QGIZWNJLYHKITK-UHFFFAOYSA-N
29B869C3E2DA9A20_3655E5867854965B_6039_UN,CCOC2CC(OCCOC1CCCCO1)C23CCOCC3,RUDHUTCGZNMASO-UHFFFAOYSA-N
2A51159086DE95EB_AFBCCEF137C06765_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)CCC(=O)C2=CC=CS2,HVJSSZZIYYCLPP-UHFFFAOYSA-N
2AC4CC1F7E3AB250_F746114332661607_6035_UN,O(CC1(CNCC1)C2CCOCC2)C3=C(N)C=C(C=C3Br)Br,HMHISMLGBNQBSB-UHFFFAOYSA-N
2C2B452777824929_70F8B9FE94E41A1F_6035_UN,O(C[C@H]1[C@@H](CNC1)C2CCOCC2)C3=C(N)C=C(C=C3Br)Br,UVXCSBUFGPMBGM-AAEUAGOBSA-N
2D936990859AB0BD_8516E7E4612A742A_6039_UN,O(CC2CCOC1(CCOCC1)C2)CCCC3(C)CC3,APXBZTQSSNZCMB-UHFFFAOYSA-N
2E70FEC37669513F_4BAB3870AF26D476_6031_DP,NC3CC(CC(=O)OCC1C(CNCC1)C2=CC=CC=C2)C3,KYLPINPONTZXJF-UHFFFAOYSA-N
2E7ADD2173703DB0_6B816A9B8B1C4EB3_6029_UN,N(CCCC1=CC=C(C=C1)O)[S](C2=CC=CC(=C2N=[N]#N)F)(=O)=O,KIPADSVSEYGQBF-UHFFFAOYSA-N
2E8FF06949680A15_6786286D06FA432B_6035_UN,O(C[C@H]1[C@@H](CNC1)C2CCOCC2)C3=C(N)C=C(C=C3)Br,WZERTAFTCWFMOP-JSGCOSHPSA-N
303D6C483673431E_8BA75E1C3B91631A_6039_UN,CCOC2CC(OCCCC1CCOCC1)C23CCOCC3,DLSXVMDLWSSPTD-UHFFFAOYSA-N
30F01ECE03C3D91A_9042E6D51CA6929B_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C3=CC=C(COC2=CC=C(C=C2)F)O3,DFVRRAWLOBEOFJ-UHFFFAOYSA-N
31B2070712517AA7_1B4AA87F82223783_6031_UN,O(C(=O)C1=CC2=C(C=C1)[NH]C3=C2CNCC3)C4=COC=CC4=S,WEVVWUSEVJTRRR-UHFFFAOYSA-N
3261EA35BB984BCA_B24F70FC8C72CA61_6035_UN,O(C[C@H]1[C@@H](CNC1)C2CCOCC2)C3=C(N)C=C(C=C3)I,UKKWSRHEWHMSNB-JSGCOSHPSA-N
32D24FCE61B35708_10E6E5330C32952A_7009_UN,N([S](=O)(=O)CCCC#N)C(=O)CC(C1=CC=CS1)[N]2C=CC=C2,WQBGNPQTJDHEOV-UHFFFAOYSA-N
332A097D9E249D63_4170A4E659B691DD_6031_DP,N3CCOC1=C(C=CC=C1C(=O)OC2=COC=CC2=S)C3,QDVDYOJIPQGTTJ-UHFFFAOYSA-N
33646642AAD3A240_A9E83DF6AC202406_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C2=CC=CC(=C2)[S](N(C)C)(=O)=O)=O,JOZOTUGRRBQBKP-UHFFFAOYSA-N
336E8FE276BE396A_F9CA58847DB43B07_7015_UN,CCCN1C(C=CC(=C1)N[S](=O)(=O)C2=C(C=CC(=C2)N=[N]#N)Cl)=O,ABNPMWOMFJSLCP-UHFFFAOYSA-N
33B76D85B7FFD369_B1B363DF616D38C8_6035_UN,O(CC1(CNCC1)C2CCOCC2)C3=C(N)C=C(C=C3)F,DETJJFPTCPHBKC-UHFFFAOYSA-N
33CD5FA8EABDBBDA_A70087180CB66EDB_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=CC(=C(C=C3)F)C4CC4,YADZMTLIMWGVNO-UHFFFAOYSA-N
33DFA29E75AAFFBE_6E92192AE2BC17F5_6035_UN,CC[C@@H]3CCN[C@H](COC1=C(C(=CC=C1)C2CNCCC2)F)C3,AAXIPWLLZMLRMN-TUOGLVOQSA-N
33F807048C099074_5F55D15ADD9E3B28_6041_DP,C[N]1C(=NC2=C1C=CC=C2F)NC[C@@]34CCCN[C@H]3CCCC4,NYXVXAMAVXMEGX-MAUKXSAKSA-N
36445BA41B712AAB_8F7E300EAC7D86BD_6035_UN,CCCC(OC1=CC(=CC(=C1)F)C2CCCNC2)CC=C,MBIOQNGTAJXLQV-UHFFFAOYSA-N
370EF5810B19ACFF_0E2015F1FAA2E664_6031_DP,NC[C@@]1(C[C@@H]1C(F)(F)F)C(=O)OCC2COCCNC2,LXUBKAXLFKEHQG-CAWIPBJDSA-N
37212F5041BD1915_E9272323888FB0CB_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)CCOCC2=CC=CC=C2,DTEYDKXCDUOHML-UHFFFAOYSA-N
39C4C5DE39E65726_7B2DC0F7EC7DD9C5_6043_UN,CN1C(=O)NC2=C1C=C(C=C2)N[S](=O)(=O)C4=C3OCCOC3=CC=C4,ZWVFVGDIBDIZGB-UHFFFAOYSA-N
39CAD2840F3EA741_04C71CF06932F2E8_6031_UN,CSCCC1NC(CS1)C(=O)OCC3CCOC2(CCC2)C3,VFMQXEANEABQAY-UHFFFAOYSA-N
39CC34CAC8B585E1_D9BE578AD4820B02_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C(CC2=CN=C[NH]2)N4C(=O)C3=C(C=CC=C3)C4=O,QUQIRVRRKJDMEP-UHFFFAOYSA-N
39D0AA34D1F6C5C2_0BB123AF56189801_6035_UN,CCCC(OC1=CC(=CC(=C1)F)C2CCCNC2)CNC,SLGWETXVMCFWOJ-UHFFFAOYSA-N
3A938BA15074267C_1223663D7D7C29E7_7022_UN,COC1=C(C(=C(C=C1)Br)F)OC2CC3(C2)CC4CCC3C4,BCWILYATDPJTPY-UHFFFAOYSA-N
3C1FA3F4731385CF_BCFFFDA3307CB2BA_6035_UN,O(C[C@H]1[C@@H](CNC1)C2CCOCC2)C3=C(N)C=C(C=C3Cl)Cl,MNIWWMAFDGUJDX-AAEUAGOBSA-N
3C5465B2A7319EC8_247F40DB80742DFC_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(CC2C4=C(CCN2[S](C3=CC=C(C)C=C3)(=O)=O)C=CC=C4)=O,BZSDHJHFUHXSRQ-UHFFFAOYSA-N
3D8B4A4C29801FE5_EAA51143A7C0EE8D_6035_UN,O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=CC=C[N+](=C3)C,RXUQIVLSWZWPCF-UHFFFAOYSA-N
3E2235CBD265E623_4F9308199D8B2971_6043_UN,CC1=C(C=C([N](=C1)=O)N[S](=O)(=O)C2=C(C=CC(=C2)Cl)O)[N](=O)=O,CPMTZIYOKYMKDU-UHFFFAOYSA-N
3E76459A0B8C4EF1_9A7B4DDCFD6BD2C2_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(=O)C2=CC(=C(C=C2)F)[S](=O)(=O)N3CCCCC3,QCFWPUWRMWFQON-UHFFFAOYSA-N
3E92EF42CD390A70_32FF339C4C042624_7022_UN,C1(=C(C=CC(=C1)C(F)F)Cl)OC3(C2=CC=C(CC)C=C2)CCCC(C)C3,KMXAYXLKXCQLEI-UHFFFAOYSA-N
3F8F7F28AF44AB02_6A8D60EE5C9D4577_6031_DP,O(C(=O)CC(C1CCNCC1)C2=CC=C(C=C2)F)CC3CNC3,BVEZIWVEOFCZCL-UHFFFAOYSA-N
40693C7D3B7C587B_74311A54D948EBA6_6035_UN,O(CC2CCC1CC1C2)C3=C(C=C(C(CC)(C)C)C=C3)Cl,XLFYAHMXEGKSAF-UHFFFAOYSA-N
413D3F11D35B8BC1_F70E38239774B074_6035_UN,O(CC1(CNCC1)C2CCOCC2)C3=C(C=C(N)C=C3Cl)Cl,TUDPRKPRGPSBCE-UHFFFAOYSA-N
42B4EBDBA13A9F5A_D0749CC3D66E01DD_6031_UN,CSCCC1NC(CS1)C(=O)OCC3COC2(CCCC2)O3,WEWAPSXPUMZLGA-UHFFFAOYSA-N
435615027B5B1A81_E3CDE3B0C21F3A3D_6038_UN,N(CCC1[S](CCC1)(=O)=O)C(C3=CC(=C(SC2=NN=C[N]2C)C=C3)[N](=O)=O)=O,WVTNEBSJKXMMNY-UHFFFAOYSA-N
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rxn:4:174783:223312,C#CCOC(=O)c1ccc(-c2ccc(C3CNC3)cc2)c(C)c1,LAPYJBVLFVSIEW-UHFFFAOYSA-N
rxn:4:176480:223312,O=C(CC(F)F)c1ccc(-c2ccc(C3CNC3)cc2)cc1,VCGXAGSAVSRBHG-UHFFFAOYSA-N
rxn:4:178636:223200,FC(F)(F)Sc1ccc(-c2ccc(C3CCNC3)cc2)cc1,QVWGUTLNGZEFCB-UHFFFAOYSA-N
rxn:4:178681:223200,Fc1cc(OC(F)F)cc(F)c1-c1ccc(C2CCNC2)cc1,PGQCGLWFZPPXPX-UHFFFAOYSA-N
rxn:4:179321:223312,CC(=O)c1cc(-c2ccc(C3CNC3)cc2)cc(Cl)c1C(F)(F)F,QXETYHOKUZMRKK-UHFFFAOYSA-N
rxn:4:181178:223002,C#Cc1cc(-c2ccc(C3CCNCC3)cc2F)ccc1C,TYUUZUDMHQQPLM-UHFFFAOYSA-N
rxn:4:181800:222808,CC(C)NC(=O)c1cc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc([N+](=O)[O-])c1,FLQMIPNXGKHTPH-UHFFFAOYSA-N
rxn:4:181979:222890,COc1cc(-c2ccc(-c3ccc(F)cc3)c(C)c2)cc(C2CCCNC2)n1,SXNRNIQGRRBZCS-UHFFFAOYSA-N
rxn:4:183276:223200,C1=CC2OC1c1ccc(-c3ccc(C4CCNC4)cc3)cc12,MBTPDRVPVQXGJQ-UHFFFAOYSA-N
rxn:4:184732:226814,O=C(c1ccc(-c2cnc(-c3ccco3)nc2Cl)cc1OCC(F)F)N1CCC1,BRIPMFPGWSDVIP-UHFFFAOYSA-N
rxn:4:188131:223199,FC(F)(F)COc1ccc(-c2cccc(C3CCNC3)c2)cn1,HUVGAKLIIZUWRC-UHFFFAOYSA-N
rxn:4:192580:227020,Fc1cc(-c2cncc(C#CC3CC3)c2)cnc1OC1CCSC1,ZRYDTRBDFUQNRC-UHFFFAOYSA-N
rxn:4:192580:228223,Fc1cc(-c2ccc(C3CC3)nc2F)cnc1OC1CCSC1,LFHLFIAHPYTUEN-UHFFFAOYSA-N
rxn:4:192799:226132,Cc1cc(C2(C#N)CC2)ccc1-c1ccc(-c2cccc(C(F)(F)F)c2)cn1,JMTHDWCJDHKDNO-UHFFFAOYSA-N
rxn:4:194517:223279,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)nc2c1,QPRNGHDOYZENCN-UHFFFAOYSA-N
rxn:4:195062:222998,Fc1cc(-c2ccc(N=C=S)cc2Cl)cc(C2CCCNC2)c1,XZZBJDZCFKCPNW-UHFFFAOYSA-N
rxn:4:195062:223000,Fc1cc(-c2ccc(N=C=S)cc2Cl)ccc1C1CCCNC1,YQTSEXGPHLACHU-UHFFFAOYSA-N
rxn:4:195065:223002,Fc1cc(C2CCNCC2)ccc1-c1cc(N=C=S)ccc1F,RGTPXQUCHXDAEU-UHFFFAOYSA-N
rxn:4:195066:223008,Fc1cc(N=C=S)ccc1-c1cc(C2CCNCC2)ccc1F,VBWMVICYHPFFOH-UHFFFAOYSA-N
rxn:4:195074:223000,Fc1cc(-c2cccc(N=C=S)c2F)ccc1C1CCCNC1,VLJJGNURBUASDE-UHFFFAOYSA-N
rxn:4:195097:222925,FC(F)c1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(Cl)n1,GPWCRFZNDHLMOA-UHFFFAOYSA-N
rxn:4:195101:223005,FC(F)c1cnc(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)c1,LPAWZQGMUPFRQC-UHFFFAOYSA-N
rxn:4:195152:223000,Fc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(F)cc1N=C=S,ZKFHTOFCLMESNK-UHFFFAOYSA-N
rxn:4:195157:223000,O=[N+]([O-])c1cc(-c2ccc(C3CCCNC3)c(F)c2)cc(Cl)c1F,GTFGMLJKZIKKNX-UHFFFAOYSA-N
rxn:4:195161:226659,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(N3CCCC3)c(Cl)c2)c1,YXXCIGHZZSCDQH-UHFFFAOYSA-N
rxn:4:195172:224707,COC(=O)c1cc(Cl)cc2cc(-c3cc(F)c(Cl)c([N+](=O)[O-])c3)cnc12,UKZOGEPGKTZGKN-UHFFFAOYSA-N
rxn:4:195496:223307,FS(F)(F)(F)(F)c1ccc(-c2ccc3c(c2)CCNC3)cn1,GDEDYVLMLOHGHH-UHFFFAOYSA-N
rxn:4:195598:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(N=C=S)c(C)c1Cl,RQGVUOQJJMYCFM-UHFFFAOYSA-N
rxn:4:195791:223000,Fc1cc(-c2cnc(C3CC3)cc2Cl)ccc1C1CCCNC1,LSXKPIQLYDRWGB-UHFFFAOYSA-N
rxn:4:196227:225881,Cc1c(-c2ccc(C3CCOCC3)nc2F)cncc1C1CC1,VYJIZXBJJBOSGZ-UHFFFAOYSA-N
rxn:4:196673:228216,Fc1nc(C2CCCC2)ccc1-c1cncc(C2CC2)c1Cl,QXKZGHDIAUDVSM-UHFFFAOYSA-N
rxn:4:196866:226320,N#CC1(c2ccc(F)c(-c3ccc(C4CCCOC4)nc3F)c2)CC1,HVDGTGXMGBOEMS-UHFFFAOYSA-N
rxn:4:198287:223000,Cc1c(-c2ccc(C3CCCNC3)c(F)c2)cnc(Cl)c1F,PVDUMUCOPIJOAM-UHFFFAOYSA-N
rxn:4:203900:225701,COc1ccc(C(=O)N2CCN(C)CC2)cc1-c1ccc(-c2cccc(F)c2)nc1,GKWSIXYHUWNZSA-UHFFFAOYSA-N
rxn:4:205660:227413,Fc1cc(C2CCC2)ncc1-c1cnc(OC2CCSC2)nc1,VZPDRERFLGLEHW-UHFFFAOYSA-N
rxn:4:206032:226340,N#Cc1cc(-c2ccc(OC3CCCC3)nn2)c(Cl)c(C2CC2)c1,PLPNQGIHZYHJBM-UHFFFAOYSA-N
rxn:4:208261:225683,C#Cc1ncc(-c2ccc(C3CCCOC3)nc2C)c(C)n1,YUDHNQADYCXAPR-UHFFFAOYSA-N
rxn:4:209948:225318,N#Cc1cc(-c2c(F)cc(N3CCOCC3)cc2F)c2[nH]ccc2c1,TVKFRIZXMGQFNU-UHFFFAOYSA-N
rxn:4:211233:222803,Cc1nc(F)ncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,MCQAFASDSZKJAR-UHFFFAOYSA-N
rxn:4:217545:222985,Cc1nc(C2CCCNC2)ccc1-c1cc([N+](=O)[O-])c(C)c2cn[nH]c12,MEULSMFJBPIZPS-UHFFFAOYSA-N
rxn:4:174930:223312,O=S(=O)(CCC(F)(F)F)c1cccc(-c2ccc(C3CNC3)cc2)c1,SFQWOLBBMNVWKV-UHFFFAOYSA-N
rxn:4:178630:223200,FC(F)Oc1cccc(-c2ccc(C3CCNC3)cc2)c1Cl,RRNQQUSSGHIITH-UHFFFAOYSA-N
rxn:4:178649:223200,Fc1c(OC(F)F)cccc1-c1ccc(C2CCNC2)cc1,HOXHUAHQJVXAIY-UHFFFAOYSA-N
rxn:4:178651:223200,FC(F)(F)Oc1ccc(-c2ccc(C3CCNC3)cc2)cc1Cl,BRSDMIUSEQAYTL-UHFFFAOYSA-N
rxn:4:178681:223002,Fc1cc(C2CCNCC2)ccc1-c1c(F)cc(OC(F)F)cc1F,JJQXBMZFVVBFPZ-UHFFFAOYSA-N
rxn:4:180959:223002,Fc1cc(C(F)F)ccc1-c1ccc(C2CCNCC2)cc1F,XOISEUGDNMSQSK-UHFFFAOYSA-N
rxn:4:180994:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(C(F)F)c(Cl)c1F,NGPWYBOHUPENGE-UHFFFAOYSA-N
rxn:4:181258:223062,Fc1cc(C2CCNCC2)ncc1-c1cccc(S(F)(F)(F)(F)F)c1,SFPWDPVFNDMEPX-UHFFFAOYSA-N
rxn:4:181259:223200,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cc1,UICNSRPOVOORBE-UHFFFAOYSA-N
rxn:4:181259:223240,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CCNC3)nc2)cc1,HSPZNGIHNMUZSQ-UHFFFAOYSA-N
rxn:4:181734:223280,CC1(c2cc(F)cc(-c3cnc(C4CCNC4)nc3)c2)CC1(F)F,CLHVQCLBNKOTNF-UHFFFAOYSA-N
rxn:4:183319:223200,c1cc(C2CCNC2)ccc1-c1ccc2c(c1)C1CCC2C1,BWHBPTKUKYAURQ-UHFFFAOYSA-N
rxn:4:191212:223002,COC(=O)c1csc(-c2ccc(C3CCNCC3)cc2F)n1,RCUDQWUXTKDQGZ-UHFFFAOYSA-N
rxn:4:191302:223059,Fc1cc(OC(F)F)cnc1-c1ccc(N2CCNCC2)cc1Cl,SSHUNWZHNJRSBE-UHFFFAOYSA-N
rxn:4:192876:223312,COc1cc(-c2ccc(C3CNC3)cc2)cnc1C1CCC1,XEDSHVUUIQGKDT-UHFFFAOYSA-N
rxn:4:194935:223002,C#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)cc2F)cn1,OOPWHBCQONDQQR-UHFFFAOYSA-N
rxn:4:195062:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(N=C=S)cc1Cl,FNJOGIVLWPQVLC-UHFFFAOYSA-N
rxn:4:195062:223004,Fc1cc(-c2ccc(N=C=S)cc2Cl)ccc1C1CCNCC1,ZVFKSVSWSPIVGH-UHFFFAOYSA-N
rxn:4:195066:222998,Fc1cc(-c2ccc(N=C=S)cc2F)cc(C2CCCNC2)c1,HXIWVEKXMSRFRO-UHFFFAOYSA-N
rxn:4:195066:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(N=C=S)cc1F,SRBIJDTWAQUTPH-UHFFFAOYSA-N
rxn:4:195146:223000,Fc1cc(-c2ccc(N=C=S)c(F)c2Cl)ccc1C1CCCNC1,QTPOPFULNNHTOD-UHFFFAOYSA-N
rxn:4:195146:223240,Fc1c(N=C=S)ccc(-c2ccc(C3CCNC3)nc2)c1Cl,KRSSXBHNLMJEHG-UHFFFAOYSA-N
rxn:4:195177:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)c(F)cc1F,WQKQOIXHYAYTHK-UHFFFAOYSA-N
rxn:4:195184:223200,O=[N+]([O-])c1cc(-c2ccc(C3CCNC3)cc2)cc(F)c1F,NVGARQKGWPPMEI-UHFFFAOYSA-N
rxn:4:195496:223200,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cn1,WKKXZONANFKSOL-UHFFFAOYSA-N
rxn:4:195541:222803,Cc1cc(N=C=S)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,GLCGAVCSGHANOW-UHFFFAOYSA-N
rxn:4:195642:223002,Cc1cc(F)c(-c2ccc(C3CCNCC3)cc2F)cc1[N+](=O)[O-],YDAKFNCEOPLNNT-UHFFFAOYSA-N
rxn:4:195791:223147,Clc1cc(C2CC2)ncc1-c1ccc(C2CNCCO2)cc1,SRJXNUWCPCTUGN-UHFFFAOYSA-N
rxn:4:196284:223200,CC1(c2cc(-c3ccc(C4CCNC4)cc3)ccn2)CC1(F)F,UOZOJKAVHUTDSH-UHFFFAOYSA-N
rxn:4:196526:228223,Fc1nc(C2CC2)ccc1-c1ccc(C2CCOC2)nc1F,TYENMCHAEBSCHI-UHFFFAOYSA-N
rxn:4:196616:228216,Fc1nc(C2COCCO2)ccc1-c1cncc(C2CC2)c1Cl,CQGSYKLPHUIROJ-UHFFFAOYSA-N
rxn:4:196858:226155,CC(=O)c1cc(-c2cnc(C3CCOCC3)cc2Cl)cc(C2CC2)c1,NPIRTEGSJMJVSM-UHFFFAOYSA-N
rxn:4:198158:222699,Fc1cc(Cl)ncc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,GLBXBFBZNUAIIB-UHFFFAOYSA-N
rxn:4:198187:223004,Fc1cc(-c2cnc(F)c(F)c2Cl)ccc1C1CCNCC1,MXBIWALGFJVIHU-UHFFFAOYSA-N
rxn:4:203190:226770,COC(=O)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)cc1Cl,XKFFAOVLQWJETH-UHFFFAOYSA-N
rxn:4:203190:227100,Cc1cc(C2CC2)cc(F)c1-c1cnc(OCC2CC(F)(F)C2)nc1,PBSKZCMRFIVECA-UHFFFAOYSA-N
rxn:4:205037:226990,CN(C)CCc1ccc(-c2cc([N+](=O)[O-])cc(F)c2C#N)cc1,SQYVRLOXZFSKEL-UHFFFAOYSA-N
rxn:4:208994:225677,Cc1nc(C2CC2)ncc1-c1ccc(C2CCCCC2)nc1F,VBIADXMMNBAVFM-UHFFFAOYSA-N
rxn:4:217278:225199,N#Cc1c[nH]c2c(-c3cc(F)c(OC4CCCC4)c(F)c3)cncc12,DWIJIPNZDVRYOU-UHFFFAOYSA-N
rxn:4:217545:226382,Cc1c([N+](=O)[O-])cc(-c2cnc(C3CCCCC3)nc2)c2[nH]ncc12,KOBYIXJEQFHMTC-UHFFFAOYSA-N
rxn:4:176383:223199,Fc1cc(OCC(F)F)ccc1-c1cccc(C2CCNC2)c1,SUEYGPUHZBIQJZ-UHFFFAOYSA-N
rxn:4:178681:223306,Fc1cc(OC(F)F)cc(F)c1-c1ccc2c(c1)CNCC2,QEZHNWWCBBDYFG-UHFFFAOYSA-N
rxn:4:179537:223241,CCOc1cc(C)c(-c2cncc(C3CCNC3)c2)cc1Cl,ULTDYKBSVGKUSW-UHFFFAOYSA-N
rxn:4:181258:223200,FS(F)(F)(F)(F)c1cccc(-c2ccc(C3CCNC3)cc2)c1,JSYJELZAMXGUJV-UHFFFAOYSA-N
rxn:4:181259:223312,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CNC3)cc2)cc1,DVKQUCARUAFXRL-UHFFFAOYSA-N
rxn:4:181342:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)ccc1C(F)(F)F,OKTSTJOBVDQZPC-UHFFFAOYSA-N
rxn:4:181364:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)cc(F)c1C(F)F,AACHORSFACSHLN-UHFFFAOYSA-N
rxn:4:181481:223200,FC1(F)CC1c1ccc(-c2ccc(C3CCNC3)cc2)cc1,HBJPINXDROOXNK-UHFFFAOYSA-N
rxn:4:181720:223200,FC1(F)CC(c2cccc(-c3ccc(C4CCNC4)cc3)c2)C1,GJRBERDNZNQVIW-UHFFFAOYSA-N
rxn:4:181734:226508,CC1(c2cc(F)cc(-c3ccc(OCC4CC4)nc3F)c2)CC1(F)F,BGNPVWMIWATBDT-UHFFFAOYSA-N
rxn:4:181800:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1,KNRZLJMKQJCSAI-UHFFFAOYSA-N
rxn:4:182234:223200,c1cc(C2CCNC2)ccc1-c1ccc(C23CC(C2)C3)cc1,HKABJNHLNARGHS-UHFFFAOYSA-N
rxn:4:182298:223312,CC12CC(c3ccc(-c4ccc(C5CNC5)cc4)cc3)(C1)C2,YXLYYZWITFPBKR-UHFFFAOYSA-N
rxn:4:188380:226134,CCOC(=O)c1ccc(-c2cc(C#N)cc(C3CC3)c2C)c(Cl)n1,SWTYPEKQRWJGBX-UHFFFAOYSA-N
rxn:4:192580:228216,Fc1cc(-c2cncc(C3CC3)c2Cl)cnc1OC1CCSC1,RLJNIJQNBJNHIU-UHFFFAOYSA-N
rxn:4:194517:223312,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CNC5)cc4)cc3)nc2c1,KHAJWSSHHJFUMC-UHFFFAOYSA-N
rxn:4:194934:223002,C#Cc1nc(Cl)ccc1-c1ccc(C2CCNCC2)cc1F,SEQSCDAXSJJZEG-UHFFFAOYSA-N
rxn:4:194966:223002,N#Cc1c(-c2ccc(C3CCNCC3)cc2F)ccc(Cl)c1F,DUTIKHMTYRBDAV-UHFFFAOYSA-N
rxn:4:194968:223002,N#Cc1cc(Cl)c(F)cc1-c1ccc(C2CCNCC2)cc1F,AZLULVZVXXTPDJ-UHFFFAOYSA-N
rxn:4:194969:223002,N#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)cc2F)cc1F,LITUQMSCFSRTME-UHFFFAOYSA-N
rxn:4:195062:223059,S=C=Nc1ccc(-c2ccc(N3CCNCC3)cc2Cl)c(Cl)c1,FDRICPPCBNRTKO-UHFFFAOYSA-N
rxn:4:195065:223139,Fc1ccc(N=C=S)cc1-c1ccc(C2CCNCC2)nc1,ZPFPVHZYHJWUSS-UHFFFAOYSA-N
rxn:4:195066:223002,Fc1cc(N=C=S)ccc1-c1ccc(C2CCNCC2)cc1F,CJDAWZQWASRMMB-UHFFFAOYSA-N
rxn:4:195066:223004,Fc1cc(N=C=S)ccc1-c1ccc(C2CCNCC2)c(F)c1,XWTHXPAPDDNQPT-UHFFFAOYSA-N
rxn:4:195156:223200,O=[N+]([O-])c1cc(Cl)c(-c2ccc(C3CCNC3)cc2)cc1F,HTUSSIHCSYNQRL-UHFFFAOYSA-N
rxn:4:195229:223200,Fc1nc(-c2ccc(C3CCNC3)cc2)ccc1C(F)(F)F,YCRZLKOVGLAAQV-UHFFFAOYSA-N
rxn:4:195496:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(S(F)(F)(F)(F)F)nc1,BSBCTDPOAHANDS-UHFFFAOYSA-N
rxn:4:195496:223059,FS(F)(F)(F)(F)c1ccc(-c2ccc(N3CCNCC3)cc2Cl)cn1,QVSYMKQJBQWVPT-UHFFFAOYSA-N
rxn:4:196107:227432,Cc1cc(-c2ccc(C3COC3)nc2C)cc(C)c1N=C=S,KONFHMRIOCUUCS-UHFFFAOYSA-N
rxn:4:196245:226572,Fc1c(C2CCC2)ccnc1-c1cnc(OC2CCCC2)nc1,QYNAPAYYJSYVNN-UHFFFAOYSA-N
rxn:4:196868:228216,Fc1nc(C2CCCCO2)ccc1-c1cncc(C2CC2)c1Cl,OXFSMGKDDOSKEC-UHFFFAOYSA-N
rxn:4:196954:227779,CN1CCC(c2ccc(-c3cc([N+](=O)[O-])cc(F)c3F)cc2)C1,SCFHWKHQWPMUPP-UHFFFAOYSA-N
rxn:4:203006:227447,Fc1ccc(C2CC2)c(F)c1-c1cnc(OCC2CC2)cn1,ZBIKSBPZFXJUHM-UHFFFAOYSA-N
rxn:4:203100:226155,CCCOc1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)c(C)n1,ZMZDYAQHURJHDY-UHFFFAOYSA-N
rxn:4:203190:227996,CC(=O)c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(C)c1,DZRNYOZWNZGVFT-UHFFFAOYSA-N
rxn:4:203190:228728,COc1ncc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc1C,NMTBPLDIUZQMNR-UHFFFAOYSA-N
rxn:4:205264:227166,Cc1cc([N+](=O)[O-])cc(-c2ccc3c(c2)OCCN3C)c1C#N,LDICDSHJZWZFKF-UHFFFAOYSA-N
rxn:4:211269:222803,Cc1nc(C)c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(Cl)n1,FUIQELYIADVZQX-UHFFFAOYSA-N
rxn:4:223062:195151,Fc1cc(C2CCNCC2)ncc1-c1ccc(N=C=S)c(F)c1F,PSENNEUFQCIKPL-UHFFFAOYSA-N
rxn:4:176383:223311,Fc1cc(OCC(F)F)ccc1-c1cccc(C2CNC2)c1,TUAYNDDWYCXGME-UHFFFAOYSA-N
rxn:4:178623:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(OC(F)F)cc1,IXXXROYKOFIWPA-UHFFFAOYSA-N
rxn:4:178641:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)ccc1OC(F)F,DUGVLNXOZKJLPH-UHFFFAOYSA-N
rxn:4:178682:223200,Fc1c(OC(F)F)ccc(-c2ccc(C3CCNC3)cc2)c1F,HVJIFPGWCHUDPD-UHFFFAOYSA-N
rxn:4:180997:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1F,DWWGFLFVENXGHX-UHFFFAOYSA-N
rxn:4:181011:223200,Fc1cc(C(F)F)cc(F)c1-c1ccc(C2CCNC2)cc1,QUVLXCVYAYHUFQ-UHFFFAOYSA-N
rxn:4:181259:223147,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CNCCO3)cc2)cc1,DESLFHGKPWTXGH-UHFFFAOYSA-N
rxn:4:181401:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(C2CCC2)co1,WDYZLIQMSZINBZ-UHFFFAOYSA-N
rxn:4:181627:223312,Clc1cc(C2OCCO2)ccc1-c1ccc(C2CNC2)cc1,NETPCUMOIICFKJ-UHFFFAOYSA-N
rxn:4:181705:223200,FC1CC(c2cccc(-c3ccc(C4CCNC4)cc3)c2)C1,MQOQJHXEFOLGIQ-UHFFFAOYSA-N
rxn:4:181706:223200,FC1CC(c2ccc(-c3ccc(C4CCNC4)cc3)cc2)C1,GYDGBXZVBBOGSE-UHFFFAOYSA-N
rxn:4:181866:223200,C[Si](C)(C)c1c(F)cc(-c2ccc(C3CCNC3)cc2)cc1F,ZUYKRWLHWWHOES-UHFFFAOYSA-N
rxn:4:188129:223312,FC(F)(F)COc1ccc(-c2ccc(C3CNC3)cc2)nc1,CMSGORVXTUJIIX-UHFFFAOYSA-N
rxn:4:188131:223311,FC(F)(F)COc1ccc(-c2cccc(C3CNC3)c2)cn1,NWVWZKWENBZFNT-UHFFFAOYSA-N
rxn:4:188131:223312,FC(F)(F)COc1ccc(-c2ccc(C3CNC3)cc2)cn1,QAWOIVFJWOGHRB-UHFFFAOYSA-N
rxn:4:189405:228247,CC(=O)c1ccc(F)c(-c2ccc(OCC(C)C)nc2C)c1,DRDUCQRDHMWDRG-UHFFFAOYSA-N
rxn:4:191281:223000,Fc1cc(-c2nccc(OC(F)F)c2Cl)ccc1C1CCCNC1,UZIXEJISZFZJGP-UHFFFAOYSA-N
rxn:4:194517:223307,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc5c(c4)CCNC5)cc3)nc2c1,KHIMNZAPAVRYBK-UHFFFAOYSA-N
rxn:4:194582:227432,Cc1nc(C2COC2)ccc1-c1ccc(-c2cc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1,AXRAJKBXECEVDA-UHFFFAOYSA-N
rxn:4:194976:223000,N#Cc1cc(Cl)cc(F)c1-c1ccc(C2CCCNC2)c(F)c1,SQCPTCKVFZWPQU-UHFFFAOYSA-N
rxn:4:195062:222803,FC(F)(F)c1cc(-c2ccc(N=C=S)cc2Cl)ccc1C1CCNC1,OQAQBHRGGNAICO-UHFFFAOYSA-N
rxn:4:195062:223139,S=C=Nc1ccc(-c2ccc(C3CCNCC3)nc2)c(Cl)c1,DRTJWQZRZMXDOF-UHFFFAOYSA-N
rxn:4:195065:223000,Fc1ccc(N=C=S)cc1-c1ccc(C2CCCNC2)c(F)c1,AHEVLZSFFKGSHK-UHFFFAOYSA-N
rxn:4:195104:223005,FC(F)c1cc(Cl)c(-c2ccc(C3CCNCC3)c(Cl)c2)cn1,ODHYNUCFCVOUCN-UHFFFAOYSA-N
rxn:4:195151:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(N=C=S)c(F)c1F,JDETYCQRHSRGML-UHFFFAOYSA-N
rxn:4:195152:226494,CCN(CC)c1ncc(-c2cc(F)c(N=C=S)cc2F)c(C)n1,NWFOXOPHMNSWTL-UHFFFAOYSA-N
rxn:4:195161:223002,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCNCC3)cc2F)c1,DOCARRPZWZZPJJ-UHFFFAOYSA-N
rxn:4:195315:223002,COc1cc(Cl)ncc1-c1ccc(C2CCNCC2)cc1F,GVTLTEUCYQUAPP-UHFFFAOYSA-N
rxn:4:195496:223312,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CNC3)cc2)cn1,GENRIPGDEYNAAS-UHFFFAOYSA-N
rxn:4:196526:228216,Fc1nc(C2CCOC2)ccc1-c1cncc(C2CC2)c1Cl,YNYUWSBMGKQLST-UHFFFAOYSA-N
rxn:4:196845:228216,Clc1c(-c2ccc(C3CCSCC3)nc2)cncc1C1CC1,HIZWRSOCJMGPHZ-UHFFFAOYSA-N
rxn:4:196954:227784,CN1CCC(c2ccc(-c3cc(F)c(F)c([N+](=O)[O-])c3)cc2)C1,JMTSIVHSPDERCT-UHFFFAOYSA-N
rxn:4:203190:225857,Cc1ccn(-c2cc(F)cc(-c3cnc(OCC4CC(F)(F)C4)nc3)c2)n1,HFIBOFRNNYCMKX-UHFFFAOYSA-N
rxn:4:203190:227518,COc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)c1C#N,XSLJECXNIRCNCD-UHFFFAOYSA-N
rxn:4:203190:228214,Fc1cc(C2CC2)ncc1-c1cnc(OCC2CC(F)(F)C2)nc1,OXRNAAWRKQLVLN-UHFFFAOYSA-N
rxn:4:206027:228021,CC(=O)c1cc(C)cc(-c2cnc(OC3CCCC3)cn2)c1,VCINGIAZHWPZSE-UHFFFAOYSA-N
rxn:4:208261:225750,C#Cc1ncc(-c2cc(F)c(F)c(N(CC)CC)c2)c(C)n1,ZCONBAWOSQXRIT-UHFFFAOYSA-N
rxn:4:175669:222405,COc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1-c1cccc(C2NC(=O)NC2=O)c1,LWTQITQNRXAEQV-UHFFFAOYSA-N
rxn:4:179425:223200,COC(=O)c1ccc(-c2ccc(C3CCNC3)cc2)c(C)c1F,CTDRZQXNECAAPL-UHFFFAOYSA-N
rxn:4:180255:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1OC(C)(C)C,ZBEKAWNNEMRMHP-UHFFFAOYSA-N
rxn:4:181060:226025,Clc1nc(OC2CCOC2)ncc1-c1cc(C2CC2)co1,NVFRVTSGVYPBHL-UHFFFAOYSA-N
rxn:4:181606:226446,Cc1cc(-c2ccc(C3CCOC3)nc2C)cc(C)c1C(F)F,JARIGKZGNAJCIK-UHFFFAOYSA-N
rxn:4:186264:228216,COc1cc(-c2cncc(C3CC3)c2Cl)cnc1OCC1CC1,BFPHDIGMWXSDQV-UHFFFAOYSA-N
rxn:4:191400:223200,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,JBCJQNYGQSESGD-UHFFFAOYSA-N
rxn:4:191799:223200,COc1cc([N+](=O)[O-])c(F)cc1-c1ccc(C2CCNC2)cc1,WRLIEHSYFYOHOT-UHFFFAOYSA-N
rxn:4:195006:223002,N#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)cc2F)c(F)c1F,HOZAWBDVPFEIJD-UHFFFAOYSA-N
rxn:4:195058:223059,FC(F)c1ccc(-c2ccc(N3CCNCC3)cc2Cl)cn1,VUSVUHVBDRMGDB-UHFFFAOYSA-N
rxn:4:195068:222998,Fc1cc(-c2ccc(N=C=S)c(F)c2)cc(C2CCCNC2)c1,IRPROWXKNLUHRM-UHFFFAOYSA-N
rxn:4:195110:223005,FC(F)c1ccnc(-c2ccc(C3CCNCC3)c(Cl)c2)c1Cl,IAIVRICDZWSJAY-UHFFFAOYSA-N
rxn:4:195153:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)c(F)cc1Cl,RRFYCOPSLMQPES-UHFFFAOYSA-N
rxn:4:195186:227419,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CCC3)nc2F)c1,GQJRZRHGYPBUPI-UHFFFAOYSA-N
rxn:4:195206:223200,FC(F)(F)c1ccnc(-c2ccc(C3CCNC3)cc2)c1Cl,YWQHXPTXADNKCH-UHFFFAOYSA-N
rxn:4:195312:225881,COc1cncc(-c2ccc(C3CCOCC3)nc2F)c1Cl,MPPJKNIFWMNAKC-UHFFFAOYSA-N
rxn:4:195496:223306,FS(F)(F)(F)(F)c1ccc(-c2ccc3c(c2)CNCC3)cn1,LLNAAIIVQBHDNU-UHFFFAOYSA-N
rxn:4:195541:222925,Cc1cc(N=C=S)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,RXUJPJXJOCXOSC-UHFFFAOYSA-N
rxn:4:195601:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)c(F)cc1N=C=S,IDBKDQSGPUDWHU-UHFFFAOYSA-N
rxn:4:195633:223002,Cc1cc(Cl)c(-c2ccc(C3CCNCC3)cc2F)cc1[N+](=O)[O-],XDPFTNWNIRYZAS-UHFFFAOYSA-N
rxn:4:195777:225881,Fc1nc(C2CCOCC2)ccc1-c1cncc(C2CC2)c1,RSYUSRKSJWDDAD-UHFFFAOYSA-N
rxn:4:195792:225881,Fc1nc(C2CCOCC2)ccc1-c1cncc(C2CC2)c1Cl,HSQGRHWFEANXHS-UHFFFAOYSA-N
rxn:4:195862:227432,Cc1nc(C2COC2)ccc1-c1cncc(C2CC2(F)F)c1,ZHUUPOFSLSPWFB-UHFFFAOYSA-N
rxn:4:196858:228216,Clc1cc(C2CCOCC2)ncc1-c1cncc(C2CC2)c1Cl,CCPFZRXNTHLWQO-UHFFFAOYSA-N
rxn:4:203154:227962,Cc1cc(-c2cnc(OCC3CCC3)nc2)cc(C2CC2)n1,DMSBQIYMUMQGHH-UHFFFAOYSA-N
rxn:4:203190:226155,CC(=O)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C2CC2)c1,MSACZJVSGJKPML-UHFFFAOYSA-N
rxn:4:203190:226203,FC1(F)CC(COc2ncc(-c3ccc4c(cnn4C4CC4)c3)cn2)C1,AVFZVPBHFUGDBJ-UHFFFAOYSA-N
rxn:4:203190:227524,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)cc1C#N,KVOUXNRGQQAIJM-UHFFFAOYSA-N
rxn:4:203190:228109,CCc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C#N)n1,DEZKORYNTQZBRA-UHFFFAOYSA-N
rxn:4:206044:226340,N#Cc1cc(-c2cnc(OC3CCCC3)nc2)c(Cl)c(C2CC2)c1,LIDRWBPAGFPECF-UHFFFAOYSA-N
rxn:4:208261:223009,C#Cc1ncc(-c2cc(Cl)cc(C3CCNCC3)c2)c(C)n1,QXIWNHUAKTVFGB-UHFFFAOYSA-N
rxn:4:208261:225611,C#Cc1ncc(-c2ccc(N3CCCC3)cc2OC)c(C)n1,UVTLZMUSCRIAGE-UHFFFAOYSA-N
rxn:4:208321:225868,Cc1cc(C#N)nc(Cl)c1-c1ccc(N2CCOCC2)c(F)c1,VDQXGUAQGCBNMY-UHFFFAOYSA-N
rxn:4:209963:225183,O=[N+]([O-])c1cc(-c2ccc(OC3CCCCC3)nc2F)c2[nH]ccc2c1,ABOGVBUMZFXXJC-UHFFFAOYSA-N
rxn:4:209963:225320,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(F)c2F)c2[nH]ccc2c1,IKVSIJOIXHOSKE-UHFFFAOYSA-N
rxn:4:225057:185754,Cc1ccccc1-c1ncc(-c2cncc(OC(C(F)(F)F)C(F)(F)F)c2)cc1Cl,YKHYINPPBRVANO-UHFFFAOYSA-N
rxn:4:175939:223241,COc1cc(COC2CCCCO2)ccc1-c1cncc(C2CCNC2)c1,XLABGSVTXINJQW-UHFFFAOYSA-N
rxn:4:177186:223312,CCOC(=O)c1cc(Cl)c(-c2ccc(C3CNC3)cc2)cc1C,XDUKREYTYFUHET-UHFFFAOYSA-N
rxn:4:178624:223200,FC(F)Oc1ccc(-c2ccc(C3CCNC3)cc2)cc1Cl,XNFXMAFACWIGMU-UHFFFAOYSA-N
rxn:4:179688:223240,Cc1cc(OC2CC2)ccc1-c1ccc(C2CCNC2)nc1,XWSCRAVJQYZZJN-UHFFFAOYSA-N
rxn:4:180159:222405,COc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2F)cc1,GGKWAFKZVDWLTJ-UHFFFAOYSA-N
rxn:4:181358:223240,CC(F)(F)c1ccc(-c2ccc(C3CCNC3)nc2)c(F)c1,MQCXADCCMUBLRQ-UHFFFAOYSA-N
rxn:4:181721:223312,FC1(F)CC(c2ccc(-c3ccc(C4CNC4)cc3)cc2)C1,FMCPHLSFYURJBA-UHFFFAOYSA-N
rxn:4:188221:224013,O=C(C[N+](=O)[O-])c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)cc1,QENWKACJYHDGOB-UHFFFAOYSA-N
rxn:4:188338:223312,CCOC(=O)c1noc(-c2ccc(C3CNC3)cc2)c1C,CNWHOGBWAVGRDC-UHFFFAOYSA-N
rxn:4:189924:224013,COc1ccc(C(=O)N2CCOCC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1Cl,QTMPCQJQLJAONP-UHFFFAOYSA-N
rxn:4:191259:223059,FCOc1ccc(-c2ccc(N3CCNCC3)cc2Cl)nc1,WTTAAOWATZGACG-UHFFFAOYSA-N
rxn:4:192580:228701,Fc1cc(-c2cnc(C3CC3)nc2)cnc1OC1CCSC1,DZCURMODPVJRMV-UHFFFAOYSA-N
rxn:4:193042:228216,COc1cc(-c2cncc(C3CC3)c2Cl)cnc1C1CCOC1,JNUNDFAUADNUMJ-UHFFFAOYSA-N
rxn:4:194458:228216,O=C1C(=O)N(CC2CCC2)c2ccc(-c3cncc(C4CC4)c3Cl)cc21,XNBHONJDVDVBNC-UHFFFAOYSA-N
rxn:4:194517:223127,Fc1cc(CNC2CC2)ccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3o2)cc1,BUTWKTIHDUVILI-UHFFFAOYSA-N
rxn:4:194517:223200,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)nc2c1,WWXRLGXIXGYKBF-UHFFFAOYSA-N
rxn:4:194935:223004,C#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)c(F)c2)cn1,BIDOIMHIOFHONV-UHFFFAOYSA-N
rxn:4:195011:223002,N#Cc1c(-c2ccc(C3CCNCC3)cc2F)cc(F)c(F)c1F,RBITZOZPEGFYJT-UHFFFAOYSA-N
rxn:4:195066:223005,Fc1cc(N=C=S)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,OKTRRZCRODSUEL-UHFFFAOYSA-N
rxn:4:195146:222988,Cc1cc(-c2ccc(N=C=S)c(F)c2Cl)cc(C2CCNCC2)n1,ADSFWFSGHODXBV-UHFFFAOYSA-N
rxn:4:195146:223147,Fc1c(N=C=S)ccc(-c2ccc(C3CNCCO3)cc2)c1Cl,BUJMASBZPZNINA-UHFFFAOYSA-N
rxn:4:195152:223064,Fc1cc(-c2ccc(C3CCNCC3)nc2F)c(F)cc1N=C=S,IYJNZPZIYOOEKU-UHFFFAOYSA-N
rxn:4:195172:223200,O=[N+]([O-])c1cc(-c2ccc(C3CCNC3)cc2)cc(F)c1Cl,IZLAKUNZYCERAN-UHFFFAOYSA-N
rxn:4:195223:223200,Fc1nc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,QLRWUANXCJOFBN-UHFFFAOYSA-N
rxn:4:195604:222925,Cc1c(N=C=S)ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1F,BGULJVFSXHDRPX-UHFFFAOYSA-N
rxn:4:195604:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(N=C=S)c(C)c1F,GNMOKJBWSAKBLQ-UHFFFAOYSA-N
rxn:4:195607:223000,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)c(F)c1,VIGXZLWNDMSIAA-UHFFFAOYSA-N
rxn:4:195637:223200,Cc1cc([N+](=O)[O-])cc(Cl)c1-c1ccc(C2CCNC2)cc1,DMMWDBBZLACRNT-UHFFFAOYSA-N
rxn:4:195753:223059,Clc1cc(N2CCNCC2)ccc1-c1cnc(C2CCC2)s1,GVYGKFIYJWOQED-UHFFFAOYSA-N
rxn:4:195820:227432,Cc1nc(C2COC2)ccc1-c1cnc(Cl)c(C2CC2)c1F,LKQMTWUSJTWXSD-UHFFFAOYSA-N
rxn:4:196246:223200,Fc1c(-c2ccc(C3CCNC3)cc2)ccnc1C1CCC1,ANNBKHWTDVGGJD-UHFFFAOYSA-N
rxn:4:196829:228216,Clc1c(-c2ccc(C3CCCOC3)cn2)cncc1C1CC1,JBRITDNWLTUGJF-UHFFFAOYSA-N
rxn:4:196844:228216,Clc1c(-c2ccc(C3CCOCC3)nc2)cncc1C1CC1,AFDPWFGMOQXKEZ-UHFFFAOYSA-N
rxn:4:203190:227360,CCC(=O)c1ccc(Cl)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,DDRGIAFDEZSKRM-UHFFFAOYSA-N
rxn:4:203190:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,QLGDDXXELVKSGN-UHFFFAOYSA-N
rxn:4:203190:228218,Fc1cnc(C2CC2)cc1-c1cnc(OCC2CC(F)(F)C2)nc1,VXEJFUSMSJFHGJ-UHFFFAOYSA-N
rxn:4:205036:223002,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCNCC2)cc1F,QOUUBQBUVPJKNF-UHFFFAOYSA-N
rxn:4:205615:227794,CCC(C)c1ncc(-c2cc([N+](=O)[O-])cc(Cl)c2F)c(Cl)n1,CUDPKFRJAHGRMQ-UHFFFAOYSA-N
rxn:4:206501:228209,Cc1cc(Cl)c(-c2cnc(OC3CCCC3)nc2C)cc1C#N,GQPVOVUFGWNDJD-UHFFFAOYSA-N
rxn:4:176366:223312,FC(F)(F)CSc1ccc(-c2ccc(C3CNC3)cc2)cc1,WKRFXTCOZASGGI-UHFFFAOYSA-N
rxn:4:178074:223312,Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc(C2CNC2)cc1,GTUVJEKXCDSACA-UHFFFAOYSA-N
rxn:4:178634:223200,FC(F)(F)Oc1ccc(-c2ccc(C3CCNC3)cc2)cc1,CULCOPUIXWUGNS-UHFFFAOYSA-N
rxn:4:178747:223200,FC(F)=C(F)Oc1cccc(-c2ccc(C3CCNC3)cc2)c1,XLNNJLAPOJODFW-UHFFFAOYSA-N
rxn:4:180052:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,OJUUZNAZXOFWRH-UHFFFAOYSA-N
rxn:4:181259:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,SIKSEEQCZORSJZ-UHFFFAOYSA-N
rxn:4:181266:223239,Fc1cc(-c2cncc(C3CCCN3)c2)cc(S(F)(F)(F)(F)F)c1,ROEXETDOPQRVGE-UHFFFAOYSA-N
rxn:4:181867:223312,C[Si](C)(C)c1ccc(-c2ccc(C3CNC3)cc2)c(F)c1F,FKGHLICGIUHAPT-UHFFFAOYSA-N
rxn:4:181979:222848,CCc1cc(-c2ccc(-c3ccc(F)cc3)c(C)c2)cc(C2CCCNC2)n1,JWHCSRMKZOCRGL-UHFFFAOYSA-N
rxn:4:185715:223312,FC(F)(F)CCOc1ccc(-c2ccc(C3CNC3)cc2)nc1,VJZWNZQPOOXMQX-UHFFFAOYSA-N
rxn:4:185750:225967,Cc1nccn1-c1ncc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)cn2)cc1Cl,PCVKGRZCICHHGE-UHFFFAOYSA-N
rxn:4:185754:226788,Cc1nccn1-c1ncc(-c2cncc(OC(C(F)(F)F)C(F)(F)F)c2)cn1,WJPIBDNZFWSMDZ-UHFFFAOYSA-N
rxn:4:188292:223312,O=C(c1ccc(-c2ccc(C3CNC3)cc2)c([N+](=O)[O-])c1)C(F)(F)F,NYFAYUINKPYAOQ-UHFFFAOYSA-N
rxn:4:191589:223312,O=[N+]([O-])c1cc(CF)c(F)cc1-c1ccc(C2CNC2)cc1,AFPDMMFKFPCBQB-UHFFFAOYSA-N
rxn:4:194163:227628,COC(=O)c1c[nH]c2cc(-c3cnc(C4CCC4)nc3Cl)c(F)cc12,CHWWVMXHJMBZRP-UHFFFAOYSA-N
rxn:4:194966:223000,N#Cc1c(-c2ccc(C3CCCNC3)c(F)c2)ccc(Cl)c1F,ZVIGNYXRGXDUID-UHFFFAOYSA-N
rxn:4:195163:223000,O=[N+]([O-])c1c(-c2ccc(C3CCCNC3)c(F)c2)ccc(Cl)c1F,YEZGOIWECNXQTO-UHFFFAOYSA-N
rxn:4:195186:223059,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(N3CCNCC3)cc2Cl)c1,KMYUDOWRJDOAQN-UHFFFAOYSA-N
rxn:4:195216:223000,Fc1cc(-c2cncc(C(F)(F)F)c2Cl)ccc1C1CCCNC1,KRHURVIKESUOCC-UHFFFAOYSA-N
rxn:4:195327:223000,CSc1cnc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)c1,BCNCOOHSNCJTKO-UHFFFAOYSA-N
rxn:4:195375:223200,FC1(F)CC1c1csc(-c2ccc(C3CCNC3)cc2)n1,ZLXHZVURGRGCGF-UHFFFAOYSA-N
rxn:4:195496:223147,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CNCCO3)cc2)cn1,IENWRQOMJQIXOJ-UHFFFAOYSA-N
rxn:4:195598:223002,Cc1c(N=C=S)ccc(-c2ccc(C3CCNCC3)cc2F)c1Cl,FPWZTGDUKIUTKF-UHFFFAOYSA-N
rxn:4:195600:223200,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CCNC2)cc1,QJEKCQCUPJVFRG-UHFFFAOYSA-N
rxn:4:195633:223000,Cc1cc(Cl)c(-c2ccc(C3CCCNC3)c(F)c2)cc1[N+](=O)[O-],YGXPOSGYFWRVEU-UHFFFAOYSA-N
rxn:4:195810:223002,Fc1cc(C2CCNCC2)ccc1-c1ccnc(C2CC2)c1F,HRGDKSBYUBTTIK-UHFFFAOYSA-N
rxn:4:196477:222855,COc1cc(-c2ccc(-c3ccc(F)c(F)c3)nc2)cc(C2CCCNC2)c1,ODZZRPDRKVDPIR-UHFFFAOYSA-N
rxn:4:196526:227787,O=[N+]([O-])c1cc(-c2ccc(C3CCOC3)nc2F)cc(Cl)c1F,DHCZDISBUVWEAH-UHFFFAOYSA-N
rxn:4:196616:228218,Fc1cnc(C2CC2)cc1-c1ccc(C2COCCO2)nc1F,MGLXLWWAKBQYGV-UHFFFAOYSA-N
rxn:4:202978:227661,Cc1cc(C(F)(F)F)ccc1-c1cnc(C=C[CH+]C(=O)[O-])nc1,BMOSCEDZPKWWGM-UHFFFAOYSA-N
rxn:4:202978:227742,O=C([O-])[CH+]C=Cc1ncc(-c2ccc(C(F)(F)F)cc2Cl)cn1,PVHUFIWIECIKST-UHFFFAOYSA-N
rxn:4:203190:226070,CC(C)n1ccc2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)ccc21,NTCSOBIPIGGERX-UHFFFAOYSA-N
rxn:4:203190:228247,CC(=O)c1ccc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,UDPFACDUKVJWDJ-UHFFFAOYSA-N
rxn:4:203190:229103,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(Cl)n1,COLSAVASYAVJPX-UHFFFAOYSA-N
rxn:4:208261:225728,C#Cc1ncc(-c2ccc(OCCCC)c(F)c2F)c(C)n1,LMUAAZHNVSAVEB-UHFFFAOYSA-N
rxn:4:209620:226155,CC(=O)c1cc(-c2cnc(C3CCCCO3)cn2)cc(C2CC2)c1,WBNRKJAAPORSMK-UHFFFAOYSA-N
rxn:4:209963:225881,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)nc2F)c2[nH]ccc2c1,JSXITUQTYYMXIX-UHFFFAOYSA-N
rxn:4:175856:222405,CCc1cc(-c2cccc(C3NC(=O)NC3=O)c2)ccc1-c1ccc(OC(F)(F)F)cc1,PDYMTYDWRFLJJQ-UHFFFAOYSA-N
rxn:4:179034:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)ccc1OC(F)F,HWWWIMADSANQTB-UHFFFAOYSA-N
rxn:4:181020:223312,Fc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(C2CNC2)cc1,JJZXLEGGYZVZCJ-UHFFFAOYSA-N
rxn:4:181026:223200,Fc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CCNC2)cc1,PPIJCLDDAAINLJ-UHFFFAOYSA-N
rxn:4:181196:225923,Fc1cc(C2CO2)ccc1-c1cnc(OC2CCCC2)nc1Cl,KMBLVKPGKYBWPK-UHFFFAOYSA-N
rxn:4:181534:223200,FC1(c2cccc(-c3ccc(C4CCNC4)cc3)c2)COC1,PLPSMLGCKOMZJK-UHFFFAOYSA-N
rxn:4:181636:223312,Cc1cc(C(F)(F)F)c(C)cc1-c1ccc(C2CNC2)cc1,YQQODDOEHOBBTO-UHFFFAOYSA-N
rxn:4:188744:226155,COc1cc(-c2cc(C(C)=O)cc(C3CC3)c2)ccc1C=C[N+](=O)[O-],FVPNBIVZVVWNPW-UHFFFAOYSA-N
rxn:4:189202:223001,Fc1ccc(C2CCCNC2)cc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1,ZMBZAOQNMMHRNR-UHFFFAOYSA-N
rxn:4:194517:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)cc2)N1,IMKBXVNJFNBRGN-UHFFFAOYSA-N
rxn:4:194517:223280,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4cnc(C5CCNC5)nc4)cc3)nc2c1,CKLXURAOIYJJRH-UHFFFAOYSA-N
rxn:4:195063:223000,Fc1cc(-c2ccc(N=C=S)c(Cl)c2)ccc1C1CCCNC1,YNNGVBZSTHNAON-UHFFFAOYSA-N
rxn:4:195151:222849,N#Cc1cc(-c2ccc(N=C=S)c(F)c2F)ccc1C1CCNCC1,HSHVROUYPOUXKB-UHFFFAOYSA-N
rxn:4:195155:223002,O=[N+]([O-])c1cc(Cl)c(F)cc1-c1ccc(C2CCNCC2)cc1F,AXVDALVNDHEDQE-UHFFFAOYSA-N
rxn:4:195192:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(Cl)cc1C(F)(F)F,NQSSADMFWJBYCZ-UHFFFAOYSA-N
rxn:4:195249:223005,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CCNCC3)c(Cl)c2)c1F,DPUXXIVUGVCVQP-UHFFFAOYSA-N
rxn:4:195559:222925,FC(F)(F)c1cc(-c2ncc(C3OCCO3)s2)ccc1C1CNC1,LWVFIANSNFFDJP-UHFFFAOYSA-N
rxn:4:195600:226446,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CCOC2)nc1C,NLZZKWCIFYFALE-UHFFFAOYSA-N
rxn:4:195601:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)c(F)cc1N=C=S,KZMDOMXRSSUIBQ-UHFFFAOYSA-N
rxn:4:195604:223200,Cc1c(N=C=S)ccc(-c2ccc(C3CCNC3)cc2)c1F,YEJWCZDMIDFLQP-UHFFFAOYSA-N
rxn:4:195606:223002,Cc1c(Cl)cc(-c2ccc(C3CCNCC3)cc2F)cc1[N+](=O)[O-],GOXVGNDBPUDFFJ-UHFFFAOYSA-N
rxn:4:195612:227021,Cc1cc(-c2ccc(C3(C#N)CC3)cc2)cc([N+](=O)[O-])c1Cl,FEUZIHZUFNJKAC-UHFFFAOYSA-N
rxn:4:196226:225923,Cc1cc(C2CC2)ncc1-c1cnc(OC2CCCC2)nc1Cl,FVUXIHAZRSQEQC-UHFFFAOYSA-N
rxn:4:196327:223200,FC1(F)CC(c2ccc(-c3ccc(C4CCNC4)cc3)cn2)C1,YVFSEFSSYPGFAC-UHFFFAOYSA-N
rxn:4:196477:222610,CC(C)(C)OC(=O)Nc1cc(-c2ccc(-c3ccc(F)c(F)c3)nc2)cc([N+](=O)[O-])c1,PLFGCZIQDWCNBQ-UHFFFAOYSA-N
rxn:4:196954:224001,CN1CCC(c2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)c(Cl)c3)cc2)C1,WCNQJSFTMVAGEC-UHFFFAOYSA-N
rxn:4:203190:226216,COc1ccc2ncc(-c3cnc(OCC4CC(F)(F)C4)nc3)cc2c1,PDSDDZATGTWTRC-UHFFFAOYSA-N
rxn:4:203190:227457,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c2nnc(C)n2c1,GJGMFQJLUAFSOG-UHFFFAOYSA-N
rxn:4:203190:227667,CC(=O)c1ccc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1F,YQEQORIOVSOZEN-UHFFFAOYSA-N
rxn:4:203190:227902,CCc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1C#N,WLGHVKWGHPRMJB-UHFFFAOYSA-N
rxn:4:205521:226155,CC(=O)c1cc(-c2cnc(OC3CCC3)nc2Cl)cc(C2CC2)c1,WUHSHSNOOPIAJT-UHFFFAOYSA-N
rxn:4:210572:225677,CC(=O)c1c[nH]c2c(C)c(-c3ccc(C4CCCCC4)nc3F)cnc12,NFOMQTCPXXHCRJ-UHFFFAOYSA-N
rxn:4:217545:225217,Cc1c([N+](=O)[O-])cc(-c2cnc(N3CCCC(C)C3)cc2F)c2[nH]ncc12,SCOHYZZDKHPJIM-UHFFFAOYSA-N
rxn:4:176368:223312,FC(F)(F)OCc1ccc(-c2ccc(C3CNC3)cc2)cc1,ZABOZXOVRJJVCQ-UHFFFAOYSA-N
rxn:4:176376:223199,FC(F)(F)COc1ccc(-c2cccc(C3CCNC3)c2)cc1,ZLFUEEKVPQOQJG-UHFFFAOYSA-N
rxn:4:176376:223312,FC(F)(F)COc1ccc(-c2ccc(C3CNC3)cc2)cc1,HTAKMCHCIXDYNG-UHFFFAOYSA-N
rxn:4:178078:223312,COc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc(C3CNC3)cc2)cc1,HBWLEZXDZNIWHM-UHFFFAOYSA-N
rxn:4:178724:223200,FC(F)=COc1cccc(-c2ccc(C3CCNC3)cc2)c1,KWFYNOLHTQTABR-UHFFFAOYSA-N
rxn:4:180500:223199,c1cc(-c2ccc(C3CCCCO3)cc2C2CC2)cc(C2CCNC2)c1,HMBYXYMZZVZUMH-UHFFFAOYSA-N
rxn:4:181259:223059,FS(F)(F)(F)(F)c1ccc(-c2ccc(N3CCNCC3)cc2Cl)cc1,MEBNPASTEJQQRS-UHFFFAOYSA-N
rxn:4:181357:223200,CC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cc1F,FNQXBWWNRUHLEU-UHFFFAOYSA-N
rxn:4:181605:223200,Cc1cc(C(F)F)c(C)cc1-c1ccc(C2CCNC2)cc1,NKGVSDLZSNITJZ-UHFFFAOYSA-N
rxn:4:181616:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)ccc1C(C)(F)F,RSYXPUCLAODDDE-UHFFFAOYSA-N
rxn:4:181721:223200,FC1(F)CC(c2ccc(-c3ccc(C4CCNC4)cc3)cc2)C1,ITMYGOITUQFDPL-UHFFFAOYSA-N
rxn:4:191387:223200,N#Cc1cc(C(F)F)ccc1-c1ccc(C2CCNC2)cc1,PHTFPMWBIWJGJF-UHFFFAOYSA-N
rxn:4:191425:223200,N#Cc1c(-c2ccc(C3CCNC3)cc2)ccc(C(F)(F)F)c1F,SJCGOZMVEGSIEF-UHFFFAOYSA-N
rxn:4:192817:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,HWEGDMKRXHWVKA-UHFFFAOYSA-N
rxn:4:192843:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(F)(F)F)cc2F)nc1,JSFHORGVAWJZPC-UHFFFAOYSA-N
rxn:4:195098:223005,FC(F)c1cc(Cl)ncc1-c1ccc(C2CCNCC2)c(Cl)c1,QGEGPVDLWSQBAL-UHFFFAOYSA-N
rxn:4:195146:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(N=C=S)c(F)c1Cl,LONKOMLJEMWRKS-UHFFFAOYSA-N
rxn:4:195146:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(N=C=S)c(F)c1Cl,IUOMZZBUFLPFFW-UHFFFAOYSA-N
rxn:4:195151:223139,Fc1c(N=C=S)ccc(-c2ccc(C3CCNCC3)nc2)c1F,CPNSPJVPHJSMCQ-UHFFFAOYSA-N
rxn:4:195151:223200,Fc1c(N=C=S)ccc(-c2ccc(C3CCNC3)cc2)c1F,AIOQJDGVWIODEN-UHFFFAOYSA-N
rxn:4:195195:223005,FC(F)(F)c1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)n1,GGNMAYGYEFOXPY-UHFFFAOYSA-N
rxn:4:195207:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C(F)(F)F)cc1Cl,BJSNKVOTHQMMOI-UHFFFAOYSA-N
rxn:4:195598:225881,Cc1c(N=C=S)ccc(-c2ccc(C3CCOCC3)nc2F)c1Cl,LJJRMPYFCQVALI-UHFFFAOYSA-N
rxn:4:195600:223170,Cc1cc(N=C=S)c(F)cc1-c1cnc(C2CCCNC2)nc1,YKFIKLXRDBRETC-UHFFFAOYSA-N
rxn:4:195600:223240,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CCNC2)nc1,AOISUGORNHBRET-UHFFFAOYSA-N
rxn:4:195695:223200,Cc1nc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,ITPGYMUCYCTCGC-UHFFFAOYSA-N
rxn:4:196327:223312,FC1(F)CC(c2ccc(-c3ccc(C4CNC4)cc3)cn2)C1,ASRAPVQDSXUGMB-UHFFFAOYSA-N
rxn:4:196616:228214,Fc1cc(C2CC2)ncc1-c1ccc(C2COCCO2)nc1F,FZFXYNQSIHIEJK-UHFFFAOYSA-N
rxn:4:196866:228216,Fc1nc(C2CCCOC2)ccc1-c1cncc(C2CC2)c1Cl,PWFXCJAIKLJWHY-UHFFFAOYSA-N
rxn:4:198187:223000,Fc1cc(-c2cnc(F)c(F)c2Cl)ccc1C1CCCNC1,ICAGZKJAERQDOL-UHFFFAOYSA-N
rxn:4:198187:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(F)c(F)c1Cl,FZDCJCUIQGZSEV-UHFFFAOYSA-N
rxn:4:201294:228216,N#Cc1cc(-c2cncc(C3CC3)c2Cl)cnc1OCC1CC1,GKWGIZFFGDARQV-UHFFFAOYSA-N
rxn:4:203190:223247,Cc1n[nH]c2cc(F)c(-c3cnc(OCC4CC(F)(F)C4)nc3)cc12,KCZGWVLDDSIEST-UHFFFAOYSA-N
rxn:4:203190:228246,CC(=O)c1ccc(Cl)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,CYCQKYPKSOADHE-UHFFFAOYSA-N
rxn:4:206495:224331,FC(F)(F)c1ccc(-c2ccc(-c3cncc(CN4CCOCC4)c3)cn2)cc1,IKHOZEQTPHGNQI-UHFFFAOYSA-N
rxn:4:208339:223005,FS(F)(F)(F)(F)c1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)cn1,MNKRJELIXDYOMA-UHFFFAOYSA-N
rxn:4:210433:225674,CCn1cnc2cc(-c3cnc(C4CCCCC4)cc3F)c(F)cc21,KHOGLMANZJLHGR-UHFFFAOYSA-N
rxn:4:211582:222803,Fc1cc2cc[nH]c2nc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,KQCFCZYKTGREQU-UHFFFAOYSA-N
rxn:4:217282:225199,N#Cc1cc2nccn2cc1-c1cc(F)c(OC2CCCC2)c(F)c1,VHQRDYUIVSQFNC-UHFFFAOYSA-N
rxn:4:176369:223307,FC(F)COc1ccc(-c2ccc3c(c2)CCNC3)cc1Cl,ANDKYXMZWUKAGJ-UHFFFAOYSA-N
rxn:4:176908:223311,CC(F)(F)COc1ccc(-c2cccc(C3CNC3)c2)c(F)c1,VPASUAUHXSMUAT-UHFFFAOYSA-N
rxn:4:178640:223200,Fc1cc(OC(F)F)ccc1-c1ccc(C2CCNC2)cc1,LIHQRNHWUWLJTD-UHFFFAOYSA-N
rxn:4:180080:223312,c1cc(-c2ccc(C3CNC3)cc2)ccc1OC1CCCC1,KSSJWWWJJKUYCT-UHFFFAOYSA-N
rxn:4:185754:225951,Cc1nc(-n2ccnc2C)ncc1-c1cncc(OC(C(F)(F)F)C(F)(F)F)c1,DANQYOLRKVHHAF-UHFFFAOYSA-N
rxn:4:188394:223199,CCOC(=O)c1cnc(-c2cccc(C3CCNC3)c2)cc1Cl,KUIGNMVILAMMBF-UHFFFAOYSA-N
rxn:4:191400:223312,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CNC2)cc1,VOGCDIJMDRNTDC-UHFFFAOYSA-N
rxn:4:192983:223200,Cc1ccc(-c2ccc(C3CCNC3)cc2)cc1CN(C)C,VMZLQGWPRCSHEJ-UHFFFAOYSA-N
rxn:4:194582:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(-c2cc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1,NKULEWSQJMRBSE-UHFFFAOYSA-N
rxn:4:194871:223005,FC(F)c1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)s1,PRDYKMSYZVSNFP-UHFFFAOYSA-N
rxn:4:194938:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)(F)F)[nH]1,PSHCTGRLZXRYJA-UHFFFAOYSA-N
rxn:4:195034:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(N=C=S)cc1,KDJIWYRTDBLDBX-UHFFFAOYSA-N
rxn:4:195066:223000,Fc1cc(N=C=S)ccc1-c1ccc(C2CCCNC2)c(F)c1,IJOINEOJTMTBOY-UHFFFAOYSA-N
rxn:4:195151:222925,Fc1c(N=C=S)ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1F,VHZULLOMZGILQL-UHFFFAOYSA-N
rxn:4:195172:227419,O=[N+]([O-])c1cc(-c2ccc(C3CCC3)nc2F)cc(F)c1Cl,TXCBWNANNXAXIQ-UHFFFAOYSA-N
rxn:4:195328:225881,CSc1cnc(Cl)c(-c2ccc(C3CCOCC3)nc2F)c1,IDRCDKAVPKNBOE-UHFFFAOYSA-N
rxn:4:195495:223200,Cc1c(F)c(F)c(F)c(C#N)c1-c1ccc(C2CCNC2)cc1,PCWOYWJTHRNDOJ-UHFFFAOYSA-N
rxn:4:195496:223242,FS(F)(F)(F)(F)c1ccc(-c2ccnc(C3CCNC3)c2)cn1,GEWYQOPGSKZNGI-UHFFFAOYSA-N
rxn:4:195599:223002,Cc1cc(-c2ccc(C3CCNCC3)cc2F)c(Cl)cc1N=C=S,XNIDQHSFQFPGSR-UHFFFAOYSA-N
rxn:4:195600:222925,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,PXUILULNWPKJBD-UHFFFAOYSA-N
rxn:4:195601:223197,Cc1cc(-c2ccc(CNC3CC3)cc2)c(F)cc1N=C=S,SCTHTFOGJYATLD-UHFFFAOYSA-N
rxn:4:195758:223002,Fc1cc(C2CCNCC2)ccc1-c1ncc(C2CCC2)s1,BROJLELABPDGJH-UHFFFAOYSA-N
rxn:4:196119:223000,Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)c(F)c1,HTFAGAMQBJBCJW-UHFFFAOYSA-N
rxn:4:196119:223200,Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C2CCNC2)cc1,ZOUFGKLLPKKBIT-UHFFFAOYSA-N
rxn:4:196750:223240,Fc1c(-c2ccc(C3CCNC3)nc2)ccc(N2CCCC2)c1F,MAOVUZGNHGJVOA-UHFFFAOYSA-N
rxn:4:196858:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(C2CCOCC2)cc1Cl,ZZQXZQJXOZQCIK-UHFFFAOYSA-N
rxn:4:197711:223312,CC12CC(c3ccc(-c4ccc(C5CNC5)cc4)cn3)(C1)C2,HWQPMGLVNBOAJU-UHFFFAOYSA-N
rxn:4:202938:226155,CCOC(=O)c1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,RMNWUKGFNAKZGX-UHFFFAOYSA-N
rxn:4:202940:223200,CCOc1ccc(-c2ccc(C3CCNC3)cc2)c(C#N)n1,IPAYYEIQEZXJJA-UHFFFAOYSA-N
rxn:4:202978:227663,Cc1ccc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)cc1C(F)(F)F,KSZJXHVKTWSFGF-UHFFFAOYSA-N
rxn:4:203190:225779,N#Cc1cc(-n2ccnc2)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,VBJMJBOTCMEWPU-UHFFFAOYSA-N
rxn:4:203190:226320,N#CC1(c2ccc(F)c(-c3cnc(OCC4CC(F)(F)C4)nc3)c2)CC1,KFMITBZWFBZVGS-UHFFFAOYSA-N
rxn:4:203190:227945,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1N(C)C,FDDAFEIYOJVEIQ-UHFFFAOYSA-N
rxn:4:205669:228232,Clc1ncc(-c2cnc(OC3CCOC3)nc2)cc1C1CC1,XKVCCRHSQABTFT-UHFFFAOYSA-N
rxn:4:206197:226340,Cc1nc(OC2CCOC2)ncc1-c1cc(C#N)cc(C2CC2)c1Cl,ZNEAMARYSLADRX-UHFFFAOYSA-N
rxn:4:209633:227793,O=[N+]([O-])c1cc(-c2cnc(C3CCOCC3)nc2Cl)c(F)cc1Cl,JYSYBMIJNGWFEH-UHFFFAOYSA-N
rxn:4:209963:225806,O=[N+]([O-])c1cc(-c2cnc(OC3CCCC3)cc2F)c2[nH]ccc2c1,BZIUTPVBEFPHBY-UHFFFAOYSA-N
rxn:4:217259:225201,N#Cc1cc2nc[nH]c2cc1-c1ccc(OC2CCCC2)c(F)c1F,VERGSHSNZJVMIT-UHFFFAOYSA-N
rxn:4:176383:223312,Fc1cc(OCC(F)F)ccc1-c1ccc(C2CNC2)cc1,LJZCKDKUJRSMGT-UHFFFAOYSA-N
rxn:4:178731:223312,C#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CNC2)cc1,KGDLMNZROANTEW-UHFFFAOYSA-N
rxn:4:181034:223312,Fc1c(C(F)(F)F)ccc(-c2ccc(C3CNC3)cc2)c1Cl,LMCIEORLXPKIQM-UHFFFAOYSA-N
rxn:4:181132:223002,CSc1cc(F)c(-c2ccc(C3CCNCC3)cc2F)cc1F,IZSQGCMEVYMJDE-UHFFFAOYSA-N
rxn:4:181166:223200,CSc1c(-c2ccc(C3CCNC3)cc2)cc(F)c(F)c1F,VDENMNQLEHPSAN-UHFFFAOYSA-N
rxn:4:182344:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CC3CCC2C3)cc1,HAUMNPMIOGIIHP-UHFFFAOYSA-N
rxn:4:183147:223200,c1cc(-c2ccc(C3CCNC3)cc2)c2c(c1)C1(CC2)CC1,AKSVPBDRNQZMME-UHFFFAOYSA-N
rxn:4:188128:223312,FC(F)(F)OCc1ccc(-c2ccc(C3CNC3)cc2)nc1,LWPRROQUPXSOIO-UHFFFAOYSA-N
rxn:4:188722:228216,Fc1nc(OCC2CC2)ccc1-c1cncc(C2CC2)c1Cl,QYCCWCNNFWCBAQ-UHFFFAOYSA-N
rxn:4:189452:226814,COc1cc(C(=O)N2CCC2)c(F)cc1-c1cnc(-c2ccco2)nc1Cl,NMDWUZVKPHPDLZ-UHFFFAOYSA-N
rxn:4:191548:223200,FCC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cn1,JLJGOLICDQYCNR-UHFFFAOYSA-N
rxn:4:194582:223240,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)cc2c1,NIXCFGZWIJLPLY-UHFFFAOYSA-N
rxn:4:194968:223000,N#Cc1cc(Cl)c(F)cc1-c1ccc(C2CCCNC2)c(F)c1,SPDBCPWLXFCTKD-UHFFFAOYSA-N
rxn:4:195062:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(N=C=S)cc1Cl,TYGYZCHTWUHHNW-UHFFFAOYSA-N
rxn:4:195098:223000,Fc1cc(-c2cnc(Cl)cc2C(F)F)ccc1C1CCCNC1,UIGDEOFWOXARKK-UHFFFAOYSA-N
rxn:4:195146:222998,Fc1cc(-c2ccc(N=C=S)c(F)c2Cl)cc(C2CCCNC2)c1,LWWBORNIFBIMTG-UHFFFAOYSA-N
rxn:4:195146:223200,Fc1c(N=C=S)ccc(-c2ccc(C3CCNC3)cc2)c1Cl,HAJQHXFWHJQSRT-UHFFFAOYSA-N
rxn:4:195146:223241,Fc1c(N=C=S)ccc(-c2cncc(C3CCNC3)c2)c1Cl,DTOYLRNJRRKTDF-UHFFFAOYSA-N
rxn:4:195152:223139,Fc1cc(-c2ccc(C3CCNCC3)nc2)c(F)cc1N=C=S,MXSYKCUXGIGZAL-UHFFFAOYSA-N
rxn:4:195152:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)c(F)cc1N=C=S,KXBVZXKCILVVFG-UHFFFAOYSA-N
rxn:4:195159:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)c(Cl)cc1F,ZJRIAIGGEUZPAF-UHFFFAOYSA-N
rxn:4:195326:223000,COc1ccnc(-c2ccc(C3CCCNC3)c(F)c2)c1Cl,WLQYIVXODDBADO-UHFFFAOYSA-N
rxn:4:195599:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)c(Cl)cc1N=C=S,DCPKARIHCFBOJW-UHFFFAOYSA-N
rxn:4:195601:227306,Cc1cc(-c2ccc(OC(C)C)nc2C)c(F)cc1N=C=S,DYLVWLPUJFAUAT-UHFFFAOYSA-N
rxn:4:195704:223312,Cc1c(F)c(-c2ccc(C3CNC3)cc2)cc([N+](=O)[O-])c1F,SFLIEWHLPWWJQP-UHFFFAOYSA-N
rxn:4:195792:226382,Clc1c(-c2cnc(C3CCCCC3)nc2)cncc1C1CC1,HQMXNTXAJMSAQE-UHFFFAOYSA-N
rxn:4:195808:226432,Fc1nc(C2CCCC2)ccc1-c1nccc(C2CC2)c1F,KZJMKQKLISCORT-UHFFFAOYSA-N
rxn:4:196856:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CCCCO2)nc1,GHBCEPULBWRGAU-UHFFFAOYSA-N
rxn:4:197480:223240,c1cc(C23CC(C2)C3)cc(-c2ccc(C3CCNC3)nc2)n1,PEAWLGDFGQBLES-UHFFFAOYSA-N
rxn:4:203154:226340,N#Cc1cc(-c2cnc(OCC3CCC3)nc2)c(Cl)c(C2CC2)c1,KYHUTVLUKHYJPC-UHFFFAOYSA-N
rxn:4:205036:223200,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCNC2)cc1,YSESXQYOLFHOMF-UHFFFAOYSA-N
rxn:4:205660:226155,CC(=O)c1cc(-c2cnc(OC3CCSC3)nc2)cc(C2CC2)c1,XDNFWRKQZCUAOU-UHFFFAOYSA-N
rxn:4:208148:226675,O=[N+]([O-])c1cc(Cl)nc(-c2cnc(C3CCCC3)nc2Cl)c1,ZKPHTBDIUPUSSW-UHFFFAOYSA-N
rxn:4:208246:222925,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)[n+]([O-])cc1F,OTQLALFGAVXVKQ-UHFFFAOYSA-N
rxn:4:209963:225802,O=[N+]([O-])c1cc(-c2ccc(OC3CCCC3)nc2F)c2[nH]ccc2c1,FGIZNCNHQGIGHQ-UHFFFAOYSA-N
rxn:4:211356:222803,FC(F)(F)c1cc(-c2cnn3c2OCC3)ccc1C1CCNC1,ORPBXCDZTYEGAK-UHFFFAOYSA-N
rxn:4:175942:222405,CCCCc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2F)cc1,QFUPRAQOJYWXKN-UHFFFAOYSA-N
rxn:4:176404:223311,Fc1cc(OCC(F)(F)F)ccc1-c1cccc(C2CNC2)c1,QKHMPNQBQBCQLT-UHFFFAOYSA-N
rxn:4:179080:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1OC(F)(F)F,JFVCUPRJJROWNJ-UHFFFAOYSA-N
rxn:4:179733:226685,CC(=O)c1cc(-c2cnc(C3CCOCC3)nc2)cc(C(C)(F)F)c1,HRZAJJFJFIXUEV-UHFFFAOYSA-N
rxn:4:179807:223312,Cc1cc(C(=O)C2CC2)ccc1-c1ccc(C2CNC2)cc1,AHYFLUIJCZTWPY-UHFFFAOYSA-N
rxn:4:180968:223200,Fc1ccc(-c2ccc(C3CCNC3)cc2)c(F)c1C(F)F,MGVHUSOKETUGCL-UHFFFAOYSA-N
rxn:4:180984:223200,FC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)c(Cl)c1,QOGADMZJPORQOX-UHFFFAOYSA-N
rxn:4:181264:223241,FS(F)(F)(F)(F)c1cc(Cl)cc(-c2cncc(C3CCNC3)c2)c1,ZISRUWYFRWUKIF-UHFFFAOYSA-N
rxn:4:181613:223200,CC(C)c1cc(F)c(-c2ccc(C3CCNC3)cc2)c(F)c1,RQORTTZFZXBEKC-UHFFFAOYSA-N
rxn:4:182469:223002,Fc1cc(-c2ccc(C3CCNCC3)cc2F)c(F)cc1Cl,RVCRDIXJSMFJIO-UHFFFAOYSA-N
rxn:4:183279:223200,FC1(F)C2Cc3ccc(-c4ccc(C5CCNC5)cc4)cc3C21,UBVCKPCVMYYQKK-UHFFFAOYSA-N
rxn:4:188465:224014,COC(=O)c1cc([N+](=O)[O-])cc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2Cl)c1F,JUJKQCPDDLIEPJ-UHFFFAOYSA-N
rxn:4:188746:229080,FC1(F)CC1COc1ccc(-c2cnc(C3CC3)s2)nc1,AYTPUCSFCSFDAW-UHFFFAOYSA-N
rxn:4:189448:224013,COC1CN(C(=O)c2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)nc3Cl)c(Cl)c2)C1,XCHKPDAQWMXQJU-UHFFFAOYSA-N
rxn:4:191371:225881,N#CCc1ccc(-c2ccc(C3CCOCC3)nc2F)c(F)c1F,YPZGAPGYZRLBAP-UHFFFAOYSA-N
rxn:4:191593:223312,N#Cc1cc(C=C(F)F)cc(-c2ccc(C3CNC3)cc2)c1,CXMQDRLLZSNXQB-UHFFFAOYSA-N
rxn:4:194579:223200,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)[nH]c2c1,NAYRMLMUZMPFNS-UHFFFAOYSA-N
rxn:4:195283:225881,Fc1nc(C2CCOCC2)ccc1-c1cc(C2CC2)ns1,XJABBPKNMGBBNH-UHFFFAOYSA-N
rxn:4:195705:223312,Cc1c(F)cc([N+](=O)[O-])c(F)c1-c1ccc(C2CNC2)cc1,COZHXOLHNGNRNE-UHFFFAOYSA-N
rxn:4:195805:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C2CC2)nc1F,YWSWUPDMXHNYJN-UHFFFAOYSA-N
rxn:4:196227:225677,Cc1c(-c2ccc(C3CCCCC3)nc2F)cncc1C1CC1,KKAAZTLJWWSXHX-UHFFFAOYSA-N
rxn:4:196856:228216,Clc1c(-c2ccc(C3CCCCO3)nc2)cncc1C1CC1,XFICNXBYVVUWFB-UHFFFAOYSA-N
rxn:4:198287:223004,Cc1c(-c2ccc(C3CCNCC3)c(F)c2)cnc(Cl)c1F,QMDNOAAVSKVUIY-UHFFFAOYSA-N
rxn:4:202965:226155,CCCOc1ccc(-c2cc(C(C)=O)cc(C3CC3)c2)nn1,GCUMJRATXJHQBU-UHFFFAOYSA-N
rxn:4:203154:228021,CC(=O)c1cc(C)cc(-c2cnc(OCC3CCC3)nc2)c1,IMWIQUPUTGTFQG-UHFFFAOYSA-N
rxn:4:203190:227051,CCC(=O)c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(C)c1,MMNTYQHREOBTLU-UHFFFAOYSA-N
rxn:4:203190:227678,CCn1nnc2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)cnc21,HJKTZPARFNPIPJ-UHFFFAOYSA-N
rxn:4:203190:228114,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1C#N,RGVDWTCWKIUYJO-UHFFFAOYSA-N
rxn:4:203190:228227,CC(C)c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)n1,HOBJDJWYKWJIGW-UHFFFAOYSA-N
rxn:4:203190:228252,COc1ccc(C)c(F)c1-c1cnc(OCC2CC(F)(F)C2)nc1,IMRFYMOEZVQTLH-UHFFFAOYSA-N
rxn:4:203190:228254,COc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(C)c1F,MELJBWFERYVADO-UHFFFAOYSA-N
rxn:4:203190:228365,FC1(F)CC(COc2ncc(-c3cnc(C4CC4)nc3Cl)cn2)C1,OBESZSNWINLKLA-UHFFFAOYSA-N
rxn:4:205264:223197,Cc1cc([N+](=O)[O-])cc(-c2ccc(CNC3CC3)cc2)c1C#N,KCNDGSODRPKNOT-UHFFFAOYSA-N
rxn:4:205264:224646,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC3CCOCC3)c(C#N)c2)c1C#N,SFZZRBLCEMKSAI-UHFFFAOYSA-N
rxn:4:211753:222803,Cc1nc2ncc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2s1,AMAZJQAACCFMDY-UHFFFAOYSA-N
rxn:4:223062:195790,Fc1cc(C2CCNCC2)ncc1-c1cc(C2CC2)c(Cl)cn1,MGNXLUAWROUASD-UHFFFAOYSA-N
rxn:4:224259:196953,CN1CCC(c2cccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2)C1,FEGPJWHQBRYLIX-UHFFFAOYSA-N
rxn:4:178072:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1-c1cccc(OC(F)(F)F)c1,FNDKMKMYCROSSC-UHFFFAOYSA-N
rxn:4:179848:222846,C#Cc1ccc(-c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)cc1,GQLRBOXGSJDWGV-UHFFFAOYSA-N
rxn:4:180300:222405,CCc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)c(F)c2)cc1,MPGGNCMVNLRHPB-UHFFFAOYSA-N
rxn:4:180923:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)F)cc1,ZVPGZUODGGAGPW-UHFFFAOYSA-N
rxn:4:181259:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,ODMJVIITRKZWEY-UHFFFAOYSA-N
rxn:4:181401:223002,Fc1cc(C2CCNCC2)ccc1-c1cc(C2CCC2)co1,ZKRUBOOFJOGSLV-UHFFFAOYSA-N
rxn:4:181535:223200,Clc1cc(C2COC2)ccc1-c1ccc(C2CCNC2)cc1,DZIUAZSRGGIATO-UHFFFAOYSA-N
rxn:4:181706:223199,FC1CC(c2ccc(-c3cccc(C4CCNC4)c3)cc2)C1,QACGFLSCLDKINR-UHFFFAOYSA-N
rxn:4:181709:223240,CC1(c2ccc(F)c(-c3ccc(C4CCNC4)nc3)c2)CC1,PSVGNVVXWVGFHJ-UHFFFAOYSA-N
rxn:4:181710:223240,Fc1ccc(C2CCC2)cc1-c1ccc(C2CCNC2)nc1,CPHQTKRKDGNNQT-UHFFFAOYSA-N
rxn:4:181734:223240,CC1(c2cc(F)cc(-c3ccc(C4CCNC4)nc3)c2)CC1(F)F,SNALFIJMXGXPSG-UHFFFAOYSA-N
rxn:4:181764:223200,FC1(F)CC(c2cccc(-c3ccc(C4CCNC4)cc3)c2)C1(F)F,BDDWBARGLFHFOT-UHFFFAOYSA-N
rxn:4:182029:223312,O=C1CCCCC1c1ccc(-c2ccc(C3CNC3)cc2)cc1,FQKSNXHOKYHSAA-UHFFFAOYSA-N
rxn:4:182473:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(F)c(F)c1Cl,LCQVNHIFYHDBMS-UHFFFAOYSA-N
rxn:4:182932:223200,FC1(F)CCc2cc(-c3ccc(C4CCNC4)cc3)ccc21,PSOKHQFGOUFFTL-UHFFFAOYSA-N
rxn:4:183141:223200,CC1CCc2cc(-c3ccc(C4CCNC4)cc3)ccc2O1,WCQRERKGQPDQER-UHFFFAOYSA-N
rxn:4:188746:227299,CN(C)Cc1cc(F)cc(-c2ccc(OCC3CC3(F)F)cn2)c1,ZWQKOELXWMSJPQ-UHFFFAOYSA-N
rxn:4:191376:223002,C#Cc1cc(-c2ccc(C3CCNCC3)cc2F)cc([N+](=O)[O-])c1,JHFMDRZUDDFAJM-UHFFFAOYSA-N
rxn:4:191400:223240,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)nc1,OCQZHDDQDNXOGR-UHFFFAOYSA-N
rxn:4:192812:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)cn1,WVULZDNAHYGKBZ-UHFFFAOYSA-N
rxn:4:192854:223312,C[Si](C)(C)C#Cc1ccc(-c2ccc(C3CNC3)cc2)cn1,YNXIXEIJHVLQBV-UHFFFAOYSA-N
rxn:4:194517:223306,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc5c(c4)CNCC5)cc3)nc2c1,VVTINZNIYYBLRS-UHFFFAOYSA-N
rxn:4:195146:223004,Fc1cc(-c2ccc(N=C=S)c(F)c2Cl)ccc1C1CCNCC1,PZSBKRZIOGTPJR-UHFFFAOYSA-N
rxn:4:195172:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)cc(F)c1Cl,CEIMULCLXKKTQM-UHFFFAOYSA-N
rxn:4:195195:223200,FC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)c(Cl)n1,ZIXRNIUVPFSYFK-UHFFFAOYSA-N
rxn:4:195496:223240,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CCNC3)nc2)cn1,OTFSMVNYUUMULY-UHFFFAOYSA-N
rxn:4:195541:223062,Cc1cc(N=C=S)ccc1-c1cnc(C2CCNCC2)cc1F,MRCASDQBEVKBSV-UHFFFAOYSA-N
rxn:4:195598:223200,Cc1c(N=C=S)ccc(-c2ccc(C3CCNC3)cc2)c1Cl,YEVIQXFTZSCEBW-UHFFFAOYSA-N
rxn:4:195604:223128,Cc1c(N=C=S)ccc(-c2ccc(CNC3CC3)c(F)c2)c1F,BCZPRTKBLUDTRU-UHFFFAOYSA-N
rxn:4:203095:226340,CC(C)COc1cnc(-c2cc(C#N)cc(C3CC3)c2Cl)cn1,KZAWVOPLCXNBRV-UHFFFAOYSA-N
rxn:4:203190:223306,FC1(F)CC(COc2ncc(-c3ccc4c(c3)CNCC4)cn2)C1,ZDVIOTSGHCBSCY-UHFFFAOYSA-N
rxn:4:205037:226572,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1cnc(OC2CCCC2)nc1,HQQAROFWIDOGRB-UHFFFAOYSA-N
rxn:4:205669:226155,CC(=O)c1cc(-c2cnc(OC3CCOC3)nc2)cc(C2CC2)c1,SEXGQAVQHAICAU-UHFFFAOYSA-N
rxn:4:205689:227413,Fc1cc(C2CCC2)ncc1-c1cnc(OC2CCOC2)nc1Cl,JEWRLCAANDVXPR-UHFFFAOYSA-N
rxn:4:208320:225881,Cc1cc(-c2ccc(C3CCOCC3)nc2F)c(Cl)nc1C#N,MOKKGIMNVHTKSC-UHFFFAOYSA-N
rxn:4:209633:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(C3CCOCC3)nc2Cl)c1,AANJAYUVGKWCMX-UHFFFAOYSA-N
rxn:4:217257:225201,N#Cc1ncc(-c2ccc(OC3CCCC3)c(F)c2F)c2cc[nH]c12,QOECOXUGBZNVTE-UHFFFAOYSA-N
rxn:4:217259:225367,N#Cc1cc2nc[nH]c2cc1-c1cnc(N2CCC(F)(F)CC2)nc1,MWFTZTQDAPZTEX-UHFFFAOYSA-N
rxn:4:217277:225197,N#Cc1c(-c2cc(F)c(OC3CCCC3)c(Cl)c2)cnc2[nH]ccc12,LWWOTZNGDKYNGB-UHFFFAOYSA-N
rxn:4:176376:223311,FC(F)(F)COc1ccc(-c2cccc(C3CNC3)c2)cc1,JESIEKVQGSZMNG-UHFFFAOYSA-N
rxn:4:178748:223199,FC(F)(F)C#Cc1ccc(-c2cccc(C3CCNC3)c2)cc1,JDZALZWSEDEQHJ-UHFFFAOYSA-N
rxn:4:178748:223200,FC(F)(F)C#Cc1ccc(-c2ccc(C3CCNC3)cc2)cc1,FRNIHNVTCVXNTP-UHFFFAOYSA-N
rxn:4:179340:223280,C#CC1(c2cccc(-c3cnc(C4CCNC4)nc3)c2)CC1,QKRURZLLYWDVSR-UHFFFAOYSA-N
rxn:4:181646:227793,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3F)c(F)c2)C1,FFSSCSWAPBXGRX-UHFFFAOYSA-N
rxn:4:182235:223240,c1cc(-c2ccc(C3CCNC3)nc2)cc(C23CC(C2)C3)c1,POADYBHVDKTXDB-UHFFFAOYSA-N
rxn:4:182538:223002,Cc1c(F)ccc(-c2ccc(C3CCNCC3)cc2F)c1F,RXIHUMPXYKCCNC-UHFFFAOYSA-N
rxn:4:183031:223200,Cc1c(-c2ccc(C3CCNC3)cc2)ccc2c1CCC2=O,ARWLQUDTRQOCTO-UHFFFAOYSA-N
rxn:4:186278:225316,CN(C)C(=O)c1cc(OC(F)F)cc(-c2cnc(-c3cccc(F)c3)nc2Cl)c1,RCJRVXGIRDEPEA-UHFFFAOYSA-N
rxn:4:188119:223200,FC(F)COc1ccc(-c2ccc(C3CCNC3)cc2)cn1,JNTMUTNDDCVLJS-UHFFFAOYSA-N
rxn:4:188170:226327,N#CC1(c2ccc(-c3cc([N+](=O)[O-])cc(OC(F)F)c3F)c(Cl)c2)CC1,NSGHLEJBKBBKKF-UHFFFAOYSA-N
rxn:4:191376:223200,C#Cc1cc(-c2ccc(C3CCNC3)cc2)cc([N+](=O)[O-])c1,OQCPQEBJYHFYND-UHFFFAOYSA-N
rxn:4:191886:223000,Fc1cc(-c2ccc(OC3CC3)nc2)ccc1C1CCCNC1,HSLSNCPPRILBRR-UHFFFAOYSA-N
rxn:4:192093:223200,CCc1ncc(-c2ccc(C3CCNC3)cc2)cc1C(F)(F)F,NXMBFJLMIWCXEE-UHFFFAOYSA-N
rxn:4:192812:225454,CN1CC=C(c2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)CC1,NZCFJTGOJAJFEP-UHFFFAOYSA-N
rxn:4:194582:223200,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)cc2c1,YFDBFXLRECLMQH-UHFFFAOYSA-N
rxn:4:195034:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(N=C=S)cc1,PTNIBMDKBFNFKD-UHFFFAOYSA-N
rxn:4:195098:223004,Fc1cc(-c2cnc(Cl)cc2C(F)F)ccc1C1CCNCC1,MTXMACFKYQAZMS-UHFFFAOYSA-N
rxn:4:195541:223147,Cc1cc(N=C=S)ccc1-c1ccc(C2CNCCO2)cc1,GFGYYINYGDZLSR-UHFFFAOYSA-N
rxn:4:195607:223002,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc(C2CCNCC2)cc1F,RUCVNWIZCIWDNZ-UHFFFAOYSA-N
rxn:4:195616:223200,Cc1c(F)cc(-c2ccc(C3CCNC3)cc2)cc1[N+](=O)[O-],DNOKBHBAZQUOAH-UHFFFAOYSA-N
rxn:4:195624:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)cc([N+](=O)[O-])c1F,FNMIISHMLPWEQD-UHFFFAOYSA-N
rxn:4:195633:225683,Cc1cc(Cl)c(-c2ccc(C3CCCOC3)nc2C)cc1[N+](=O)[O-],KUMQODBOEADDOC-UHFFFAOYSA-N
rxn:4:195705:223200,Cc1c(F)cc([N+](=O)[O-])c(F)c1-c1ccc(C2CCNC2)cc1,RRVHZQPEBHNOLA-UHFFFAOYSA-N
rxn:4:196453:222855,COc1cc(-c2ccc(-c3ccc(F)cc3F)nc2)cc(C2CCCNC2)c1,LHQMSYPBAIDQKF-UHFFFAOYSA-N
rxn:4:196779:222855,COc1cc(-c2ccc(-c3ccc(F)cc3C)cn2)cc(C2CCCNC2)c1,OUNAXHWEBQPUGS-UHFFFAOYSA-N
rxn:4:196952:227787,CN1CCCC1c1ccc(-c2cc(Cl)c(F)c([N+](=O)[O-])c2)cc1,RVCTZDDLSJNECD-UHFFFAOYSA-N
rxn:4:201287:228216,CC(F)(F)COc1ncc(-c2cncc(C3CC3)c2Cl)cc1C#N,PTXMHSSDHBCBLL-UHFFFAOYSA-N
rxn:4:202851:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cnc(OCC(F)F)nc1,TVSUJEUAWJRFEX-UHFFFAOYSA-N
rxn:4:202965:226340,CCCOc1ccc(-c2cc(C#N)cc(C3CC3)c2Cl)nn1,LMYYTCYBXSWTGN-UHFFFAOYSA-N
rxn:4:203190:228999,C#Cc1cncc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,WELIBNUTUBSYGS-UHFFFAOYSA-N
rxn:4:205045:225677,N#Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCCC3)nc2F)c1F,SMNASMZTKTXPGE-UHFFFAOYSA-N
rxn:4:205403:226155,CCOc1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)c(C)n1,VOMZJCWTGXBFCY-UHFFFAOYSA-N
rxn:4:208038:222699,N#Cc1cc(Cl)ncc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,IVGUFJFVLNLIOF-UHFFFAOYSA-N
rxn:4:208261:222803,C#Cc1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(C)n1,UMPBXHPPPBAJRW-UHFFFAOYSA-N
rxn:4:217545:224646,Cc1c([N+](=O)[O-])cc(-c2ccc(OC3CCOCC3)c(C#N)c2)c2[nH]ncc12,LLSVAOOOJDOOLO-UHFFFAOYSA-N
rxn:4:176366:223311,FC(F)(F)CSc1ccc(-c2cccc(C3CNC3)c2)cc1,VPSRNFLMNRALPF-UHFFFAOYSA-N
rxn:4:176397:223239,Fc1c(OCC(F)F)ccc(-c2cncc(C3CCCN3)c2)c1Cl,BFCZKGHOOTZFLY-UHFFFAOYSA-N
rxn:4:176404:223199,Fc1cc(OCC(F)(F)F)ccc1-c1cccc(C2CCNC2)c1,NMQZAOSQRVHBMJ-UHFFFAOYSA-N
rxn:4:176830:223200,Cc1cc(OCC(F)F)ccc1-c1ccc(C2CCNC2)cc1,VYBFWHUAHBQSTA-UHFFFAOYSA-N
rxn:4:178445:223199,CCOC(=O)c1ccc2cc(-c3cccc(C4CCNC4)c3)ccc2c1,GIZYJMFSWFENCY-UHFFFAOYSA-N
rxn:4:179169:227227,Fc1cc(-c2ccc(OCC3CC3)nc2)ccc1CC1CO1,HGRZEKIGAMZVGU-UHFFFAOYSA-N
rxn:4:180515:222405,C[Si](C)(C)c1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2)cc1,ZBLNLJYMEFFBOF-UHFFFAOYSA-N
rxn:4:180926:223142,FCc1c(F)ccc(-c2ccc(C3CCCNC3)nc2)c1Cl,MQSISTPPTBFWOX-UHFFFAOYSA-N
rxn:4:180949:223062,Fc1cc(C2CCNCC2)ncc1-c1cccc(C(F)F)c1Cl,JCMZWHMMYHAPPY-UHFFFAOYSA-N
rxn:4:182764:223200,FC1(F)Sc2ccc(-c3ccc(C4CCNC4)cc3)cc2C1(F)F,UVMVWHLHTRORDK-UHFFFAOYSA-N
rxn:4:183156:223312,CC1(C)OCc2cc(-c3ccc(C4CNC4)cc3)ccc2O1,QLMUXORVMRKMPQ-UHFFFAOYSA-N
rxn:4:185754:225840,FC(F)(F)C(Oc1cncc(-c2cnc(-c3ccncc3)c(Cl)c2)c1)C(F)(F)F,ORNWXPOWAFCGGA-UHFFFAOYSA-N
rxn:4:191287:223200,FC(F)(F)Sc1ccc(-c2ccc(C3CCNC3)cc2)nc1,RYKMZVNZHSUNGE-UHFFFAOYSA-N
rxn:4:191387:223240,N#Cc1cc(C(F)F)ccc1-c1ccc(C2CCNC2)nc1,XZCGIUPXKXCMIT-UHFFFAOYSA-N
rxn:4:192580:228748,COc1cc(C)c(-c2cnc(OC3CCSC3)c(F)c2)cn1,QDNMEBGNCLJMDX-UHFFFAOYSA-N
rxn:4:192788:223200,Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1ccc(C2CCNC2)cc1,GVOYQAKHGSPNCY-UHFFFAOYSA-N
rxn:4:195065:226675,Fc1ccc(N=C=S)cc1-c1cnc(C2CCCC2)nc1Cl,QJGQHUIHZBUVIG-UHFFFAOYSA-N
rxn:4:195066:223062,Fc1cc(N=C=S)ccc1-c1cnc(C2CCNCC2)cc1F,OSQFQYSJSUIRAV-UHFFFAOYSA-N
rxn:4:195146:223064,Fc1nc(C2CCNCC2)ccc1-c1ccc(N=C=S)c(F)c1Cl,LFYPWEDHAXJKCF-UHFFFAOYSA-N
rxn:4:195157:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)cc(Cl)c1F,UHCSEWUOVFVESK-UHFFFAOYSA-N
rxn:4:195184:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)cc(F)c1F,FPXAEWLBHVGFMS-UHFFFAOYSA-N
rxn:4:195599:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)c(Cl)cc1N=C=S,SXYYPEMOSFBBGE-UHFFFAOYSA-N
rxn:4:195601:226572,Cc1cc(-c2cnc(OC3CCCC3)nc2)c(F)cc1N=C=S,HKVZCLDYHUIMMQ-UHFFFAOYSA-N
rxn:4:196286:223200,CC1(c2cccc(-c3ccc(C4CCNC4)cc3)n2)CC1(F)F,MARHJBJMRKFCGV-UHFFFAOYSA-N
rxn:4:196868:228773,CCc1cc(-c2ccc(C3CCCCO3)nc2F)cnc1Cl,SYSSMJVQEIGYMD-UHFFFAOYSA-N
rxn:4:201207:223311,FC(F)(F)C(F)(F)COc1cnc(-c2cccc(C3CNC3)c2)cn1,HUVLWPFWDBTVLU-UHFFFAOYSA-N
rxn:4:203190:226340,N#Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(Cl)c(C2CC2)c1,VRJIVAFOOQTRRP-UHFFFAOYSA-N
rxn:4:203190:227155,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc2c1cnn2C,ZRLLDVKVCVKJTQ-UHFFFAOYSA-N
rxn:4:203190:228145,COc1ccc(C#N)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,LIQQIUORECEIKK-UHFFFAOYSA-N
rxn:4:205024:225234,N#Cc1ccc([N+](=O)[O-])cc1-c1ccc(N2CCCCC2)c(F)c1F,KAZLCSXWHOSFGG-UHFFFAOYSA-N
rxn:4:205660:227675,COc1cc(-c2cnc(OC3CCSC3)nc2)c(F)c(F)c1C,VTDCHTKZELSNAW-UHFFFAOYSA-N
rxn:4:205660:228216,Clc1c(-c2cnc(OC3CCSC3)nc2)cncc1C1CC1,MFYRYEGFKJCYOQ-UHFFFAOYSA-N
rxn:4:208142:225677,O=[N+]([O-])c1cnc(Cl)c(-c2ccc(C3CCCCC3)nc2F)c1,GUHKRRKWTXJKIK-UHFFFAOYSA-N
rxn:4:208261:222456,C#Cc1ncc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c(C)n1,ZUSJBGRAIASURV-UHFFFAOYSA-N
rxn:4:208261:225677,C#Cc1ncc(-c2ccc(C3CCCCC3)nc2F)c(C)n1,CJHMDTCBVLZXPP-UHFFFAOYSA-N
rxn:4:209970:225320,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(F)c2F)cc2[nH]ccc12,KXKMBMKKXYIDFB-UHFFFAOYSA-N
rxn:4:215320:225677,N#Cc1ncc([N+](=O)[O-])cc1-c1ccc(C2CCCCC2)nc1F,KJHLKZVEHMHYDR-UHFFFAOYSA-N
rxn:4:217259:225183,N#Cc1cc2nc[nH]c2cc1-c1ccc(OC2CCCCC2)nc1F,CANQNBZCNMYBMK-UHFFFAOYSA-N
rxn:4:176391:223199,FC(F)(F)COc1ccc(-c2cccc(C3CCNC3)c2)c(Cl)c1,PGKIHIZGPSZVMY-UHFFFAOYSA-N
rxn:4:176844:223311,CC(F)(F)COc1ccc(-c2cccc(C3CNC3)c2)cc1,JBMLBFGYAAHGJN-UHFFFAOYSA-N
rxn:4:178706:223312,Fc1c(F)c(-c2ccc(C3CNC3)cc2)c(F)c(F)c1OC(F)F,XJQSQLLGGGHHHR-UHFFFAOYSA-N
rxn:4:179268:223199,FC1(F)CC1Oc1ccc(-c2cccc(C3CCNC3)c2)cc1,XGJCCFGHWUVIEZ-UHFFFAOYSA-N
rxn:4:180989:223142,FC(F)(F)c1cccc(-c2ccc(C3CCCNC3)nc2)c1Cl,VZKMKLJCYQTVFL-UHFFFAOYSA-N
rxn:4:181265:223240,Fc1ccc(S(F)(F)(F)(F)F)cc1-c1ccc(C2CCNC2)nc1,DOWNXVNCYYCJEM-UHFFFAOYSA-N
rxn:4:181275:223002,Cc1cc(CF)ccc1-c1ccc(C2CCNCC2)cc1F,ACYZOIYDBTYJNW-UHFFFAOYSA-N
rxn:4:181904:223312,Cc1c(C2OCCO2)ccc(-c2ccc(C3CNC3)cc2)c1Cl,JKWMXKBNVVRAOY-UHFFFAOYSA-N
rxn:4:182235:223200,c1cc(-c2ccc(C3CCNC3)cc2)cc(C23CC(C2)C3)c1,AVNPMEOAKTZCOX-UHFFFAOYSA-N
rxn:4:182535:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)ccc(F)c1Cl,LKLNIHYYMCVANV-UHFFFAOYSA-N
rxn:4:182539:223000,Cc1c(-c2ccc(C3CCCNC3)c(F)c2)ccc(F)c1F,ZQKBASWCVNMCRZ-UHFFFAOYSA-N
rxn:4:185717:223312,FC(F)(F)CCOc1ccc(-c2ccc(C3CNC3)cc2)cn1,IGWDWPXTJRKKSI-UHFFFAOYSA-N
rxn:4:188746:227033,N#Cc1cc(-c2ccc(OCC3CC3(F)F)cn2)ccc1C1CC1,FVEJQYPIYPHMEZ-UHFFFAOYSA-N
rxn:4:194582:223222,CC(=O)NCc1ccc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1,BLEUDSFMFBXJLH-UHFFFAOYSA-N
rxn:4:194935:223000,C#Cc1cc(Cl)c(-c2ccc(C3CCCNC3)c(F)c2)cn1,JJWQNWFJACIGMO-UHFFFAOYSA-N
rxn:4:195146:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(N=C=S)c(F)c1Cl,KURMGLHRGXNJPY-UHFFFAOYSA-N
rxn:4:195151:222998,Fc1cc(-c2ccc(N=C=S)c(F)c2F)cc(C2CCCNC2)c1,BTBUDKOWGJPTAS-UHFFFAOYSA-N
rxn:4:195152:225881,Fc1cc(-c2ccc(C3CCOCC3)nc2F)c(F)cc1N=C=S,WKWOYXRRPKNTFL-UHFFFAOYSA-N
rxn:4:195315:222803,COc1cc(Cl)ncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,CYPYIVUPLMQIJB-UHFFFAOYSA-N
rxn:4:195600:223127,Cc1cc(N=C=S)c(F)cc1-c1ccc(CNC2CC2)cc1F,MOGYTIMSKGNXPF-UHFFFAOYSA-N
rxn:4:195601:223128,Cc1cc(-c2ccc(CNC3CC3)c(F)c2)c(F)cc1N=C=S,UCGRLIZOPWMVAH-UHFFFAOYSA-N
rxn:4:195637:225683,Cc1cc([N+](=O)[O-])cc(Cl)c1-c1ccc(C2CCCOC2)nc1C,KDMJDWWZJPADLM-UHFFFAOYSA-N
rxn:4:195704:223200,Cc1c(F)c(-c2ccc(C3CCNC3)cc2)cc([N+](=O)[O-])c1F,OLHLKVFZMJPPJK-UHFFFAOYSA-N
rxn:4:196616:228570,Fc1nc(C2COCCO2)ccc1-c1cncc(C2CC2)c1,UQMCNDPHFHUKKI-UHFFFAOYSA-N
rxn:4:196669:223312,Clc1cc(C2CCCC2)ncc1-c1ccc(C2CNC2)cc1,MOGVBPHNYYVFFQ-UHFFFAOYSA-N
rxn:4:196810:222855,COc1cc(-c2ccc(-c3ccc(F)cc3C)nc2)cc(C2CCCNC2)c1,CKLCZGJSHUEZSD-UHFFFAOYSA-N
rxn:4:196844:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CCOCC2)nc1,ABUDEYWUJQZENO-UHFFFAOYSA-N
rxn:4:197332:223312,FC(F)N1CCc2cc(-c3ccc(C4CNC4)cc3)ccc21,QZURHCOPEUZGCU-UHFFFAOYSA-N
rxn:4:197477:223200,c1cc(-c2ccc(C3CCNC3)cc2)cc(C23CC(C2)C3)n1,LYNAYKJXRDQFDK-UHFFFAOYSA-N
rxn:4:202856:223311,FC(F)(F)COc1cnc(-c2cccc(C3CNC3)c2)cn1,IICJHHZPFOAPFA-UHFFFAOYSA-N
rxn:4:203190:223243,COc1cc2cn[nH]c2cc1-c1cnc(OCC2CC(F)(F)C2)nc1,XIVGSNMXORWYTJ-UHFFFAOYSA-N
rxn:4:203190:223343,O=C1Cc2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)cc2N1,JUMYLMXXUKIZNR-UHFFFAOYSA-N
rxn:4:203190:229069,COc1ncccc1-c1cnc(OCC2CC(F)(F)C2)nc1,NYSUVQCABFCPEM-UHFFFAOYSA-N
rxn:4:205024:227231,CCCOc1ncc(-c2cc([N+](=O)[O-])ccc2C#N)cc1C,ILSKLFWFRBOZDJ-UHFFFAOYSA-N
rxn:4:205036:223000,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)c(F)c1,NWMOKHNISUFEAE-UHFFFAOYSA-N
rxn:4:205264:226480,CCCCOc1ccc(-c2cc([N+](=O)[O-])cc(C)c2C#N)c(F)n1,UVXPYCHJUPRZFH-UHFFFAOYSA-N
rxn:4:206044:228247,CC(=O)c1ccc(F)c(-c2cnc(OC3CCCC3)nc2)c1,IQKXFIUKEGACQF-UHFFFAOYSA-N
rxn:4:215320:226675,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(C2CCCC2)nc1Cl,HJJVYGXKJATKNX-UHFFFAOYSA-N
rxn:4:175672:222405,COc1cc(-c2cccc(OC(F)(F)F)c2)ccc1-c1cccc(C2NC(=O)NC2=O)c1,IOZCLJHQYBXMBD-UHFFFAOYSA-N
rxn:4:177208:223312,CC(C)OC(=O)c1ccc(-c2ccc(C3CNC3)cc2)cc1F,WEGTXYJUUHBXCD-UHFFFAOYSA-N
rxn:4:180052:222889,Fc1cc(CN2CCNCC2)cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1,HNSGNXRAIPJSAB-UHFFFAOYSA-N
rxn:4:180084:227505,CC(=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc(C(C)C)c1,OKDCSMPVHHQRDT-CMDGGOBGSA-N
rxn:4:180871:223002,C#Cc1cc(-c2ccc(C3CCNCC3)cc2F)c(C)o1,LCEWHUFUEQLVHU-UHFFFAOYSA-N
rxn:4:180875:223062,C#Cc1ccc(-c2cnc(C3CCNCC3)cc2F)c(Cl)c1,UNYLORBXRCFSMY-UHFFFAOYSA-N
rxn:4:180926:223139,FCc1c(F)ccc(-c2ccc(C3CCNCC3)nc2)c1Cl,MHOWLAWUJYMTQQ-UHFFFAOYSA-N
rxn:4:180994:223000,Fc1cc(-c2ccc(C(F)F)c(Cl)c2F)ccc1C1CCCNC1,YTRDLZPWEMWOHY-UHFFFAOYSA-N
rxn:4:181080:223002,CSc1ccc(-c2ccc(C3CCNCC3)cc2F)c(Cl)c1,AGLCDSYXVLHGAJ-UHFFFAOYSA-N
rxn:4:181264:223312,FS(F)(F)(F)(F)c1cc(Cl)cc(-c2ccc(C3CNC3)cc2)c1,KMJJVXLWKNNSQY-UHFFFAOYSA-N
rxn:4:181642:223200,Cc1c(-c2ccc(C3CCNC3)cc2)ccc(C(F)(F)F)c1C,ZGBXIJXPUVMOKT-UHFFFAOYSA-N
rxn:4:181830:223200,CC1(c2ccc(F)c(-c3ccc(C4CCNC4)cc3)c2)CCO1,OEYKNLCJACIMES-UHFFFAOYSA-N
rxn:4:181913:223312,CC1(c2cc(-c3ccc(C4CNC4)cc3)ccc2F)OCCO1,CHYONUCFOWROID-UHFFFAOYSA-N
rxn:4:181996:225900,Cc1cc(-c2cc([N+](=O)[O-])ccc2CN(C)C)c(F)cc1-c1ccc(F)cc1,RDYJESNHWJMKNE-UHFFFAOYSA-N
rxn:4:189924:224390,COc1ccc(C(=O)N2CCOCC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,WDBQQUATSACRSR-UHFFFAOYSA-N
rxn:4:191281:223200,FC(F)Oc1ccnc(-c2ccc(C3CCNC3)cc2)c1Cl,CGFFKCLFJBXUEH-UHFFFAOYSA-N
rxn:4:192864:223312,c1ncc(-c2ccc(C3CNC3)cc2)cc1OC1CCCC1,GTNBVINYGCVVGU-UHFFFAOYSA-N
rxn:4:194517:223359,CNCc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)cc1F,QUAXEAZWADWPJZ-UHFFFAOYSA-N
rxn:4:194582:223312,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CNC5)cc4)cc3)cc2c1,WOXSVHWYJNFJEC-UHFFFAOYSA-N
rxn:4:195062:223147,S=C=Nc1ccc(-c2ccc(C3CNCCO3)cc2)c(Cl)c1,CNYOKRKDTMXLMD-UHFFFAOYSA-N
rxn:4:195074:223004,Fc1cc(-c2cccc(N=C=S)c2F)ccc1C1CCNCC1,PERATVHAZILVGR-UHFFFAOYSA-N
rxn:4:195098:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(Cl)cc1C(F)F,XFGRAVHAQQOSGT-UHFFFAOYSA-N
rxn:4:195146:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(N=C=S)c(F)c1Cl,OFSNVUQUUWUERX-UHFFFAOYSA-N
rxn:4:195150:223062,Fc1cc(C2CCNCC2)ncc1-c1c(F)cc(N=C=S)cc1F,VFIMCRGVPYYRCB-UHFFFAOYSA-N
rxn:4:195151:226444,Cc1nc(C2CCCO2)ccc1-c1ccc(N=C=S)c(F)c1F,DHIHLANHJIJUBI-UHFFFAOYSA-N
rxn:4:195152:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(F)c(N=C=S)cc1F,DJKMCPFDRGSGEU-UHFFFAOYSA-N
rxn:4:195250:223005,O=[N+]([O-])c1c(-c2ccc(C3CCNCC3)c(Cl)c2)cc(F)c(F)c1F,JURLNXGXQJHUCB-UHFFFAOYSA-N
rxn:4:195704:222985,Cc1nc(C2CCCNC2)ccc1-c1cc([N+](=O)[O-])c(F)c(C)c1F,FXOPCHGPNPOLCN-UHFFFAOYSA-N
rxn:4:195791:225683,Cc1nc(C2CCCOC2)ccc1-c1cnc(C2CC2)cc1Cl,QLTYVACUSHNIKN-UHFFFAOYSA-N
rxn:4:195792:223000,Fc1cc(-c2cncc(C3CC3)c2Cl)ccc1C1CCCNC1,QXLWVRSMIQTTMB-UHFFFAOYSA-N
rxn:4:195792:226444,Cc1nc(C2CCCO2)ccc1-c1cncc(C2CC2)c1Cl,WWCMBDLESOQNIB-UHFFFAOYSA-N
rxn:4:196245:223200,Fc1c(C2CCC2)ccnc1-c1ccc(C2CCNC2)cc1,MJGFBCHUSZGPOD-UHFFFAOYSA-N
rxn:4:196285:223200,CC1(c2cncc(-c3ccc(C4CCNC4)cc3)c2)CC1(F)F,AHKREZHNXIQAAZ-UHFFFAOYSA-N
rxn:4:196868:227682,N#Cc1cc(-c2ccc(C3CCCCO3)nc2F)cc([N+](=O)[O-])c1,BFIJQKOGOITIRO-UHFFFAOYSA-N
rxn:4:203006:227450,FC1(F)CC1c1cccc(-c2cnc(OCC3CC3)cn2)c1,QDYBYJRFCMCJDE-UHFFFAOYSA-N
rxn:4:203100:226336,CCCOc1ncc(-c2cc(C#N)c(C3CC3)cc2Cl)c(C)n1,ZALZMGDCQMQMPJ-UHFFFAOYSA-N
rxn:4:203190:227962,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C2CC2)n1,UWXQIOWIWQVRKW-UHFFFAOYSA-N
rxn:4:203190:228224,Cc1cc(C#N)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1Cl,JJGCUNQVDFPPBB-UHFFFAOYSA-N
rxn:4:205689:227988,Fc1c(-c2cnc(OC3CCOC3)nc2Cl)cccc1C1CC1,PGIDMVRHQPDMKV-UHFFFAOYSA-N
rxn:4:205689:228014,Clc1nc(OC2CCOC2)ncc1-c1cccc(C2CC2)c1Cl,HMILBWAZCQYSIE-UHFFFAOYSA-N
rxn:4:209177:222855,COc1cc(-c2cnc(-c3cc(F)cc(F)c3)cn2)cc(C2CCCNC2)c1,VQFPRRVPZJERCE-UHFFFAOYSA-N
rxn:4:209295:227794,CC(C)(C)c1ncc(-c2cc([N+](=O)[O-])cc(Cl)c2F)c(Cl)n1,URSXHHUMNQLDES-UHFFFAOYSA-N
rxn:4:209963:225923,O=[N+]([O-])c1cc(-c2cnc(OC3CCCC3)nc2Cl)c2[nH]ccc2c1,GCRWVAXQRJLWMS-UHFFFAOYSA-N
rxn:4:176372:223200,FC(F)COc1cccc(-c2ccc(C3CCNC3)cc2)c1Cl,NJECNJRMSUVTNS-UHFFFAOYSA-N
rxn:4:176391:223242,FC(F)(F)COc1ccc(-c2ccnc(C3CCNC3)c2)c(Cl)c1,LXUQAARVUZHUFW-UHFFFAOYSA-N
rxn:4:178631:223200,FC(F)Oc1ccc(-c2ccc(C3CCNC3)cc2)c(Cl)c1,WDNVORYFWFIQJZ-UHFFFAOYSA-N
rxn:4:178864:223200,FC(F)(F)Cc1ccc(-c2ccc(C3CCNC3)cc2)cc1Cl,YTSMEURRLQTHNL-UHFFFAOYSA-N
rxn:4:179268:223312,FC1(F)CC1Oc1ccc(-c2ccc(C3CNC3)cc2)cc1,AAYWUWGYQAHMTG-UHFFFAOYSA-N
rxn:4:179987:223312,CC(C)(C)Oc1cc(-c2ccc(C3CNC3)cc2)ccc1F,UHUSZQQQGCBHNO-UHFFFAOYSA-N
rxn:4:180926:223000,FCc1c(F)ccc(-c2ccc(C3CCCNC3)c(F)c2)c1Cl,MKEFWSICETWVQD-UHFFFAOYSA-N
rxn:4:181117:223142,COc1cc(Cl)c(-c2ccc(C3CCCNC3)nc2)cc1F,PQBXPHCEVMKISG-UHFFFAOYSA-N
rxn:4:181185:223002,CC#Cc1cccc(-c2ccc(C3CCNCC3)cc2F)c1,IEDOIYXOOULQQY-UHFFFAOYSA-N
rxn:4:181194:225881,Fc1nc(C2CCOCC2)ccc1-c1cc(C2CO2)ccc1Cl,SRFNSSWYKJPKOJ-UHFFFAOYSA-N
rxn:4:181342:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)ccc1C(F)(F)F,KEPKMYYACNVGFW-UHFFFAOYSA-N
rxn:4:181886:223312,C1=CCC(c2ccc(-c3ccc(C4CNC4)cc3)cc2)OC1,RTKRIJAPZGNKMP-UHFFFAOYSA-N
rxn:4:182469:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(F)c(Cl)cc1F,KSURPENIWWGUFL-UHFFFAOYSA-N
rxn:4:182537:223000,Cc1cc(F)c(F)cc1-c1ccc(C2CCCNC2)c(F)c1,ZGXGSWZWOFZLQO-UHFFFAOYSA-N
rxn:4:182685:223000,Fc1cc(-c2cc3c(cc2Cl)OC(F)(F)O3)ccc1C1CCCNC1,ZQKITZCIGUXSMJ-UHFFFAOYSA-N
rxn:4:182749:223200,FC1(F)C=Cc2c(-c3ccc(C4CCNC4)cc3)cccc21,OBGSJTZXXRLLAA-UHFFFAOYSA-N
rxn:4:182884:223312,FC1(F)Oc2ccc(-c3ccc(C4CNC4)cc3)cc2OC1(F)F,WUORSHTUFMQHQQ-UHFFFAOYSA-N
rxn:4:188744:225601,COc1cc(-c2ccc(C3(C#N)CCC3)cc2F)ccc1C=C[N+](=O)[O-],LJYFDCPXSHHMLG-UHFFFAOYSA-N
rxn:4:191306:223200,Fc1nc(OC(F)F)ccc1-c1ccc(C2CCNC2)cc1,KLLMXYCGNMDPQY-UHFFFAOYSA-N
rxn:4:192385:223312,CN(C)C(=O)c1c(F)cc(-c2ccc(C3CNC3)cc2)cc1Cl,JJUOAKNEYRWIEJ-UHFFFAOYSA-N
rxn:4:192863:223312,Cc1cc(C(C)(C)C#N)ccc1-c1ccc(C2CNC2)cc1,IAXFHCRCUDKWST-UHFFFAOYSA-N
rxn:4:195040:223059,FCc1cc(-c2ccc(N3CCNCC3)cc2Cl)cnc1Cl,MBDGMPHWLSRDGM-UHFFFAOYSA-N
rxn:4:195066:225674,Fc1cc(N=C=S)ccc1-c1cnc(C2CCCCC2)cc1F,FPNNGRORPFRRRY-UHFFFAOYSA-N
rxn:4:195146:226946,CN1CCc2cc(-c3ccc(N=C=S)c(F)c3Cl)ccc2C1,DTDHFIMUYAZSDK-UHFFFAOYSA-N
rxn:4:196868:227450,Fc1nc(C2CCCCO2)ccc1-c1cccc(C2CC2(F)F)c1,AYMMAIZAXVUEEH-UHFFFAOYSA-N
rxn:4:197479:223200,CC12CC(c3ncc(-c4ccc(C5CCNC5)cc4)s3)(C1)C2,OHWMPXCTWUIIHO-UHFFFAOYSA-N
rxn:4:198286:223000,Cc1nc(Cl)c(F)cc1-c1ccc(C2CCCNC2)c(F)c1,MGAUSXAJOJRBGX-UHFFFAOYSA-N
rxn:4:198286:223002,Cc1nc(Cl)c(F)cc1-c1ccc(C2CCNCC2)cc1F,VFMQGRDFLVYBDE-UHFFFAOYSA-N
rxn:4:203154:228216,Clc1c(-c2cnc(OCC3CCC3)nc2)cncc1C1CC1,SSQGLIJBBXGYKT-UHFFFAOYSA-N
rxn:4:203190:227527,CCOc1ccc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1Cl,DAUQFUONEKXNGV-UHFFFAOYSA-N
rxn:4:203190:227696,COC(=O)c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)n1,JTADVXBNZOBTBQ-UHFFFAOYSA-N
rxn:4:205024:226382,N#Cc1ccc([N+](=O)[O-])cc1-c1cnc(C2CCCCC2)nc1,UJWYCSIWSAZCRJ-UHFFFAOYSA-N
rxn:4:205493:226155,CC(=O)c1cc(-c2cnc(OC3CCC3)nc2)cc(C2CC2)c1,SPQCMBFQFBKCJC-UHFFFAOYSA-N
rxn:4:210434:225674,Cc1c[nH]c2cc(-c3cnc(C4CCCCC4)cc3F)cc([N+](=O)[O-])c12,AZNLYAOVFINKQN-UHFFFAOYSA-N
rxn:4:217277:225199,N#Cc1c(-c2cc(F)c(OC3CCCC3)c(F)c2)cnc2[nH]ccc12,JFRHKHOMFXTHIR-UHFFFAOYSA-N
rxn:4:217338:225320,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(F)c2F)c2cn[nH]c2c1,KKEORJASRCTJMC-UHFFFAOYSA-N
rxn:4:175939:222624,COc1cc(COC2CCCCO2)ccc1-c1cc(CC(C)C)nc(C2CCNCC2)c1,LFZUFJBJZYUPKA-UHFFFAOYSA-N
rxn:4:176369:223311,FC(F)COc1ccc(-c2cccc(C3CNC3)c2)cc1Cl,KODFTZVDCWLZPY-UHFFFAOYSA-N
rxn:4:178151:222405,CCC(=O)c1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2F)cc1,XPEPWMIYTRKPET-UHFFFAOYSA-N
rxn:4:179396:223312,O=C(c1ccc(-c2ccc(C3CNC3)cc2)cc1Cl)C1CC1,HKMDSFINILPKOD-UHFFFAOYSA-N
rxn:4:180171:222405,COc1ccc(-c2cc(F)c(-c3cccc(C4NC(=O)NC4=O)c3)c(F)c2)cc1,AVFAWZUDKKDATF-UHFFFAOYSA-N
rxn:4:180263:223312,Cc1cc(-c2ccc(C3CNC3)cc2)c(C)cc1OC(C)C,MGCASMTUGHUNGD-UHFFFAOYSA-N
rxn:4:180899:223002,C#Cc1cc(F)c(F)cc1-c1ccc(C2CCNCC2)cc1F,SFWILBUWYQLCNY-UHFFFAOYSA-N
rxn:4:180949:223000,Fc1cc(-c2cccc(C(F)F)c2Cl)ccc1C1CCCNC1,FPNDZIXJPKNXOW-UHFFFAOYSA-N
rxn:4:181026:223142,Fc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CCCNC2)nc1,IKAQWRZSTXWJMW-UHFFFAOYSA-N
rxn:4:181127:223002,FC(F)=Cc1ccc(-c2ccc(C3CCNCC3)cc2F)cc1,IOYLLFKDJQPQBI-UHFFFAOYSA-N
rxn:4:181203:223000,CC(=O)c1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)c1,JMLUHCBZTCCKNG-UHFFFAOYSA-N
rxn:4:181330:223200,CC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)c(Cl)c1,ATOYGGFGRBOEGT-UHFFFAOYSA-N
rxn:4:181636:223002,Cc1cc(C(F)(F)F)c(C)cc1-c1ccc(C2CCNCC2)cc1F,ZRVAOIFANKKHBP-UHFFFAOYSA-N
rxn:4:181707:223200,FC1(c2ccc(-c3ccc(C4CCNC4)cc3)cc2)CCC1,FQLWJSVUEZUKGC-UHFFFAOYSA-N
rxn:4:182099:222405,Cc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2C)c(C)c1,MMOPZTXGTIUZNC-UHFFFAOYSA-N
rxn:4:185753:226399,FC(F)(F)C(Oc1ccncc1-c1ccc(-c2ncccn2)cc1)C(F)(F)F,FLOYOSKDZHWIGJ-UHFFFAOYSA-N
rxn:4:189785:226821,COc1c(-c2ccc(-c3cscn3)nc2F)cc([N+](=O)[O-])cc1C(C)(C)C,NZAJTHYVMICAJB-UHFFFAOYSA-N
rxn:4:191306:223059,Fc1nc(OC(F)F)ccc1-c1ccc(N2CCNCC2)cc1Cl,MUKSHVWJLCTZEZ-UHFFFAOYSA-N
rxn:4:192580:228201,Fc1cc(-c2cnc(C3CCC3)nc2)cnc1OC1CCSC1,JMUSVOGQTOJKLB-UHFFFAOYSA-N
rxn:4:195146:222803,Fc1c(N=C=S)ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c1Cl,ROVRMIJSSSTOJJ-UHFFFAOYSA-N
rxn:4:195163:223002,O=[N+]([O-])c1c(-c2ccc(C3CCNCC3)cc2F)ccc(Cl)c1F,PCKXLKSASBFMPR-UHFFFAOYSA-N
rxn:4:195541:225881,Cc1cc(N=C=S)ccc1-c1ccc(C2CCOCC2)nc1F,WIZPQNDBIIWARN-UHFFFAOYSA-N
rxn:4:195808:225923,Fc1c(C2CC2)ccnc1-c1cnc(OC2CCCC2)nc1Cl,LJWJSGTZGOTUFR-UHFFFAOYSA-N
rxn:4:196616:228524,Fc1nc(C2COCCO2)ccc1-c1cnc2c(c1)CCC2,RLXCCSZPDKDSLX-UHFFFAOYSA-N
rxn:4:196826:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CCCCO2)cn1,IGTPEMIVTQIRPH-UHFFFAOYSA-N
rxn:4:196839:228216,Clc1c(-c2ccc(C3=CCCCC3)nc2)cncc1C1CC1,URJSDDSLINPFNC-UHFFFAOYSA-N
rxn:4:196866:227793,O=[N+]([O-])c1cc(-c2ccc(C3CCCOC3)nc2F)c(F)cc1Cl,WSEMYTWSBGLUHB-UHFFFAOYSA-N
rxn:4:202161:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2)CC1,VTHZYCBGWSFJLS-UHFFFAOYSA-N
rxn:4:203154:227287,COc1nc(C(C)C)ccc1-c1cnc(OCC2CCC2)nc1,WASXJDLTWSJUEM-UHFFFAOYSA-N
rxn:4:203190:223274,CNC(=O)c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(Cl)c1,OHDHIVJIUNDSNS-UHFFFAOYSA-N
rxn:4:203190:228249,COc1c(C)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc1Cl,PFVQHCHZRHULFP-UHFFFAOYSA-N
rxn:4:203190:228259,COc1cc(C)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1F,ZKLKWHZYACCZRS-UHFFFAOYSA-N
rxn:4:203190:229163,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cnn1,CBBKYKHUKGGMGJ-UHFFFAOYSA-N
rxn:4:205024:225329,N#Cc1cc(-c2cc([N+](=O)[O-])ccc2C#N)ccc1OCC(F)(F)F,QNWKVENPGOLUCK-UHFFFAOYSA-N
rxn:4:205036:225674,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1cnc(C2CCCCC2)cc1F,PHBOGVDCLVOQCX-UHFFFAOYSA-N
rxn:4:205353:226572,N#CC1(c2cncc(-c3cnc(OC4CCCC4)nc3)c2)CC1,HAYANJAHGHTPSB-UHFFFAOYSA-N
rxn:4:205671:223200,N#Cc1nc(C2CCC2)ccc1-c1ccc(C2CCNC2)cc1,LVEHCHKDUSEKFR-UHFFFAOYSA-N
rxn:4:208261:225440,C#Cc1ncc(-c2ccc(C3(C#N)CCCC3)cc2)c(C)n1,JBMLKWAHTQEMFP-UHFFFAOYSA-N
rxn:4:208261:225684,C#Cc1ncc(-c2ccc(C3CCOCC3)nc2C)c(C)n1,URMAXBTWAOJHCA-UHFFFAOYSA-N
rxn:4:208339:223200,FS(F)(F)(F)(F)c1ncc(-c2ccc(C3CCNC3)cc2)cn1,SIOVKMRDCQBPFN-UHFFFAOYSA-N
rxn:4:174110:223312,FC(F)(F)Oc1ccc(OCc2ccc(-c3ccc(C4CNC4)cc3)cc2)cc1,BDNPLVSAGDUJAC-UHFFFAOYSA-N
rxn:4:175875:222405,CCCc1ccc(C#Cc2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2)cc1,JGFUWYBTYHQIEX-UHFFFAOYSA-N
rxn:4:176456:223199,C#Cc1cc(C(=O)OC)ccc1-c1cccc(C2CCNC2)c1,JYONMABBQWIXMS-UHFFFAOYSA-N
rxn:4:178623:223147,FC(F)Oc1ccc(-c2ccc(C3CNCCO3)cc2)cc1,SJTLOOBCKKVRPU-UHFFFAOYSA-N
rxn:4:179100:223312,COc1cc(-c2ccc(C3CNC3)cc2)ccc1C(F)(F)F,JBJHYMDNNCQXHQ-UHFFFAOYSA-N
rxn:4:179470:226382,COC(=O)c1cc(C)c(F)c(-c2cnc(C3CCCCC3)nc2)c1,UEBCEXPBIHKNIE-UHFFFAOYSA-N
rxn:4:180084:227491,CC(=O)c1cc(-c2cnc(OC3CCC3)nc2)cc(C(C)C)c1,VJISEGZHKRKICQ-UHFFFAOYSA-N
rxn:4:180197:223312,Cc1cc(O[C@@H]2CCOC2)ccc1-c1ccc(C2CNC2)cc1,WNDMWUOOJVUASN-LJQANCHMSA-N
rxn:4:180449:223200,c1cc(-c2ccc(C3OCCO3)cc2)ccc1-c1ccc(C2CCNC2)cc1,DKFIYOUIHIVDKY-UHFFFAOYSA-N
rxn:4:180928:223142,FCc1c(Cl)ccc(-c2ccc(C3CCCNC3)nc2)c1F,PPDQVZHXMXOLMZ-UHFFFAOYSA-N
rxn:4:180970:223200,Fc1cc(C(F)F)c(F)cc1-c1ccc(C2CCNC2)cc1,PKXROIHXMRELTA-UHFFFAOYSA-N
rxn:4:181334:223200,Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,GDGGXOIBNCLKCO-UHFFFAOYSA-N
rxn:4:181890:223312,C1=C(c2ccc(-c3ccc(C4CNC4)cc3)cc2)CCOC1,ITZVNQWMJLENMN-UHFFFAOYSA-N
rxn:4:181979:222807,Cc1cc(-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)ccc1-c1ccc(F)cc1,PPGMBZRYSCCSNI-UHFFFAOYSA-N
rxn:4:184394:225835,COC(=O)Cc1cc(-c2cnc(-c3ccc(F)cc3)nc2)c(C#N)c(C(F)F)c1,MRMSJLZBBFKCKE-UHFFFAOYSA-N
rxn:4:189958:224013,COc1c(F)cc(C(=O)N2CCOCC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1Cl,VJXUEPWFQXYGPF-UHFFFAOYSA-N
rxn:4:191830:223312,COc1cc(C(F)(F)F)ncc1-c1ccc(C2CNC2)cc1,NSTXDXRNMCVPIG-UHFFFAOYSA-N
rxn:4:191878:223200,c1cc(C2CCNC2)ccc1-c1cnc(OC2CCC2)s1,ANCIPZSTEXHIAF-UHFFFAOYSA-N
rxn:4:195062:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(N=C=S)cc1Cl,JBUUPNVQEASXAN-UHFFFAOYSA-N
rxn:4:195065:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(N=C=S)ccc1F,BSHWJXNGJNHISN-UHFFFAOYSA-N
rxn:4:195071:223000,Fc1cc(N=C=S)cc(-c2ccc(C3CCCNC3)c(F)c2)c1,OHCCCZGDWSJLMU-UHFFFAOYSA-N
rxn:4:195114:222925,FC(F)(F)c1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)nc1,LMKUFHBKELWDCC-UHFFFAOYSA-N
rxn:4:195146:225601,N#CC1(c2ccc(-c3ccc(N=C=S)c(F)c3Cl)c(F)c2)CCC1,UPBIQYIHEYUIMU-UHFFFAOYSA-N
rxn:4:195150:225684,Cc1nc(C2CCOCC2)ccc1-c1c(F)cc(N=C=S)cc1F,HJQSSBVDEQGFKR-UHFFFAOYSA-N
rxn:4:195151:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(N=C=S)c(F)c1F,DOIFUNLQCOLIHR-UHFFFAOYSA-N
rxn:4:195151:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(N=C=S)c(F)c1F,FVZACYOQDVDTAC-UHFFFAOYSA-N
rxn:4:195316:222803,COc1nc(Cl)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,MAHOOEQWYJQAGW-UHFFFAOYSA-N
rxn:4:196451:222855,COc1cc(-c2ccc(-c3cc(F)cc(F)c3)cn2)cc(C2CCCNC2)c1,MPDHFZPSMHYNRF-UHFFFAOYSA-N
rxn:4:196826:228216,Clc1c(-c2ccc(C3CCCCO3)cn2)cncc1C1CC1,VOZXPFIFZFRWPU-UHFFFAOYSA-N
rxn:4:197791:223312,CCN1CCc2cc(-c3ccc(C4CNC4)cc3)ccc2C1,LWPGTGZIKNQKCP-UHFFFAOYSA-N
rxn:4:202978:227752,O=C([O-])[CH+]C=Cc1ncc(-c2ccc(C(F)(F)F)cc2F)cn1,RWDVVPMFEGCURC-UHFFFAOYSA-N
rxn:4:203146:227107,Cc1cc(-c2cnc(OCC3CCC3)cn2)c(F)c(C2CC2)c1,AAPUZTZRSDVYGP-UHFFFAOYSA-N
rxn:4:203190:227861,FC1(F)CC(COc2ncc(-c3cnc4c(c3)CCCC4)cn2)C1,ANIFKXSNLIIVOR-UHFFFAOYSA-N
rxn:4:203190:228112,COc1ccc(C#N)cc1-c1cnc(OCC2CC(F)(F)C2)nc1,KTFTYWMTPYDAFH-UHFFFAOYSA-N
rxn:4:203190:228332,COc1cc(SC)c(-c2cnc(OCC3CC(F)(F)C3)nc2)cn1,UBWRJUGDKPMWNL-UHFFFAOYSA-N
rxn:4:208339:223131,FS(F)(F)(F)(F)c1ncc(-c2ccc(N3CCNCC3)cc2)cn1,VSTXUDFJZZOZEN-UHFFFAOYSA-N
rxn:4:217259:225199,N#Cc1cc2nc[nH]c2cc1-c1cc(F)c(OC2CCCC2)c(F)c1,RLHYITYMXFVMAY-UHFFFAOYSA-N
rxn:4:218126:223919,CN(C(=O)c1ccc(-c2cnc(Cl)c3cn[nH]c23)cc1Cl)C1CCCCC1,ZVBMDAFDUOQHCJ-UHFFFAOYSA-N
rxn:4:176709:223312,FC(F)(F)CC(F)(F)c1ccc(-c2ccc(C3CNC3)cc2)cc1,HRZNAMODJJLLSD-UHFFFAOYSA-N
rxn:4:178747:223240,FC(F)=C(F)Oc1cccc(-c2ccc(C3CCNC3)nc2)c1,FNPRGEJTHDLJDW-UHFFFAOYSA-N
rxn:4:179969:223240,Cc1cc(CC2CC2)ccc1-c1ccc(C2CCNC2)nc1,NTNBZOISCAYUBV-UHFFFAOYSA-N
rxn:4:180977:223000,Fc1cc(-c2ccc(F)c(F)c2C(F)F)ccc1C1CCCNC1,HOURJYUXNREGJZ-UHFFFAOYSA-N
rxn:4:181364:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)cc(F)c1C(F)F,AITZZKXTTZXPGG-UHFFFAOYSA-N
rxn:4:181705:223240,FC1CC(c2cccc(-c3ccc(C4CCNC4)nc3)c2)C1,RDKIISYXXVSSOV-UHFFFAOYSA-N
rxn:4:181715:223200,CC1(c2cccc(-c3ccc(C4CCNC4)cc3)c2)CC1(F)F,XVTXLDDFQWVFCB-UHFFFAOYSA-N
rxn:4:182467:223000,Fc1cc(Cl)c(-c2ccc(C3CCCNC3)c(F)c2)cc1F,UNQMKJAPUDTTBN-UHFFFAOYSA-N
rxn:4:188097:223199,N#Cc1cc(OC(F)(F)F)ccc1-c1cccc(C2CCNC2)c1,DEJJXZUQHYKCAX-UHFFFAOYSA-N
rxn:4:188119:223241,FC(F)COc1ccc(-c2cncc(C3CCNC3)c2)cn1,IGWRVQYFGGTXSQ-UHFFFAOYSA-N
rxn:4:188725:228216,Clc1cc(-c2cncc(C3CC3)c2Cl)cnc1OCC1CC1,SRWMUQGIZSJVJR-UHFFFAOYSA-N
rxn:4:191315:223200,FC(F)(F)Oc1ccc(-c2ccc(C3CCNC3)cc2)c(Cl)n1,PIAQWYZYSFDTIQ-UHFFFAOYSA-N
rxn:4:191603:223200,FC(F)(F)c1cc(N=C=S)ccc1-c1ccc(C2CCNC2)cc1,WYBQKDSELRAKIB-UHFFFAOYSA-N
rxn:4:191879:223200,COc1nc(C2CC2)sc1-c1ccc(C2CCNC2)cc1,ZVBIDNVJNLVPOI-UHFFFAOYSA-N
rxn:4:194517:223311,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4cccc(C5CNC5)c4)cc3)nc2c1,JJKAAEBYAKDQRY-UHFFFAOYSA-N
rxn:4:194582:223385,ON=Cc1ccc(Cl)c(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c1,SKVPPGMCPNVLQN-UHFFFAOYSA-N
rxn:4:194935:223005,C#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)c(Cl)c2)cn1,FSAVVQSTNQOVPT-UHFFFAOYSA-N
rxn:4:195151:226276,COc1ccc(-c2ccc(N=C=S)c(F)c2F)cc1CN(C)C,QBDDHFPDWMGKHC-UHFFFAOYSA-N
rxn:4:195223:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)(F)F)nc1F,ZBDNZUYTYKEACU-UHFFFAOYSA-N
rxn:4:195600:223128,Cc1cc(N=C=S)c(F)cc1-c1ccc(CNC2CC2)c(F)c1,OQFKWDBJFWGPSD-UHFFFAOYSA-N
rxn:4:195600:225881,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CCOCC2)nc1F,ILBXUCIASAECSN-UHFFFAOYSA-N
rxn:4:195604:223197,Cc1c(N=C=S)ccc(-c2ccc(CNC3CC3)cc2)c1F,GMHQINBCSPHAIT-UHFFFAOYSA-N
rxn:4:196227:226572,Cc1c(-c2cnc(OC3CCCC3)nc2)cncc1C1CC1,SDPHPHIKMSLVEI-UHFFFAOYSA-N
rxn:4:196616:228208,Fc1nc(C2COCCO2)ccc1-c1cc(C2CC2)cnc1Cl,ZDFMEAXOPSZPCV-UHFFFAOYSA-N
rxn:4:196616:228232,Fc1nc(C2COCCO2)ccc1-c1cnc(Cl)c(C2CC2)c1,ZKCSJYXHFULEDZ-UHFFFAOYSA-N
rxn:4:196779:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(-c2ccc(F)cc2C)cn1,SRQHXFFTBLIONQ-UHFFFAOYSA-N
rxn:4:198287:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)cnc(Cl)c1F,CGVZZVWMTXHFKZ-UHFFFAOYSA-N
rxn:4:201287:229024,Cc1cc(-c2cnc(OCC(C)(F)F)c(C#N)c2)cnc1C,WYIFNKFLYFSHJU-UHFFFAOYSA-N
rxn:4:203146:226340,N#Cc1cc(-c2cnc(OCC3CCC3)cn2)c(Cl)c(C2CC2)c1,UUZCWUNYYXZZGN-UHFFFAOYSA-N
rxn:4:203154:228247,CC(=O)c1ccc(F)c(-c2cnc(OCC3CCC3)nc2)c1,DAQAMZVGZMDHPO-UHFFFAOYSA-N
rxn:4:203190:223252,Fc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc2c1OCCN2,VJLDIEXVIMHHKF-UHFFFAOYSA-N
rxn:4:203190:228327,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cnc1OC,FVUOCIGDXMFCOI-UHFFFAOYSA-N
rxn:4:208261:225852,C#Cc1ncc(-c2cnc(C3CCCCC3)nc2Cl)c(C)n1,JLDJRYJPUKDINX-UHFFFAOYSA-N
rxn:4:208301:225677,Cc1cc(C#N)ncc1-c1ccc(C2CCCCC2)nc1F,ZVXADEIAEXUXGU-UHFFFAOYSA-N
rxn:4:209176:222855,COc1cc(-c2cnc(-c3ccc(F)c(F)c3)cn2)cc(C2CCCNC2)c1,PTELPUVDCRCKQR-UHFFFAOYSA-N
rxn:4:211192:222803,Cn1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c1F,UPKJGPQIOQCPDJ-UHFFFAOYSA-N
rxn:4:217311:225320,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(F)c2F)c2[nH]ncc2c1,ZVXAAQVLBKAWJT-UHFFFAOYSA-N
rxn:4:176345:223199,C#Cc1cc(OC(F)(F)F)ccc1-c1cccc(C2CCNC2)c1,QKNHARQQGHYPNV-UHFFFAOYSA-N
rxn:4:176435:223360,CNCc1cccc(-c2ccc(OCC(F)(F)F)c(F)c2F)c1F,DHVUQWNACZUHPW-UHFFFAOYSA-N
rxn:4:178077:223240,COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1ccc(C2CCNC2)nc1,WGEBEMXKYQMFTG-UHFFFAOYSA-N
rxn:4:179109:223312,COc1c(-c2ccc(C3CNC3)cc2)ccc(C(F)F)c1F,FBXBRDWJTOXDKD-UHFFFAOYSA-N
rxn:4:179564:223200,CC(C)Oc1ccc(F)c(-c2ccc(C3CCNC3)cc2)c1,FAKYOZCHYBXJTD-UHFFFAOYSA-N
rxn:4:181008:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(C(F)F)c(F)c1F,KFVQMKVDIRUBNP-UHFFFAOYSA-N
rxn:4:181040:223312,Fc1c(-c2ccc(C3CNC3)cc2)ccc(C(F)(F)F)c1F,AMEOLXOTAOAWIP-UHFFFAOYSA-N
rxn:4:181060:223002,Fc1cc(C2CCNCC2)ccc1-c1cc(C2CC2)co1,RGPKCTFJJMVVTL-UHFFFAOYSA-N
rxn:4:181605:223002,Cc1cc(C(F)F)c(C)cc1-c1ccc(C2CCNCC2)cc1F,XJPSKIJJMQCQCW-UHFFFAOYSA-N
rxn:4:181922:223200,C[Si](C)(C)c1c(F)c(F)c(-c2ccc(C3CCNC3)cc2)c(F)c1F,DFLLPQYNGSCZSG-UHFFFAOYSA-N
rxn:4:182478:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(F)c(F)c1F,RPUCCGKGRGETFG-UHFFFAOYSA-N
rxn:4:182541:223000,Cc1cc(F)c(-c2ccc(C3CCCNC3)c(F)c2)cc1F,CQRTYWXXLQUERF-UHFFFAOYSA-N
rxn:4:188722:226155,CC(=O)c1cc(-c2ccc(OCC3CC3)nc2F)cc(C2CC2)c1,XOCZKJSTNRJFKR-UHFFFAOYSA-N
rxn:4:189785:225835,COc1c(-c2cnc(-c3ccc(F)cc3)nc2)cc([N+](=O)[O-])cc1C(C)(C)C,DGLVEHKOFFRYGI-UHFFFAOYSA-N
rxn:4:191745:223200,Cc1c(OC(F)F)cncc1-c1ccc(C2CCNC2)cc1,LWBLVUSMQVITOQ-UHFFFAOYSA-N
rxn:4:195066:223139,Fc1cc(N=C=S)ccc1-c1ccc(C2CCNCC2)nc1,QVANYZYUQRWFTI-UHFFFAOYSA-N
rxn:4:195600:227022,Cc1cc(N=C=S)c(F)cc1-c1ccc(CN2CCC2)cc1,ZDGRJIHAGSHIDD-UHFFFAOYSA-N
rxn:4:195600:227297,Cc1cc(N=C=S)c(F)cc1-c1cc(CN(C)C)ccc1F,LCNFCJUJVJPIEH-UHFFFAOYSA-N
rxn:4:195604:223127,Cc1c(N=C=S)ccc(-c2ccc(CNC3CC3)cc2F)c1F,APOKBFAAVDWEJO-UHFFFAOYSA-N
rxn:4:195704:224966,Cc1c(F)c(-c2ccc(OCC3CCOCC3)cc2)cc([N+](=O)[O-])c1F,XNVIKZSKRCHINP-UHFFFAOYSA-N
rxn:4:196109:227432,Cc1cc(N=C=S)cc(C)c1-c1ccc(C2COC2)nc1C,URPHZWKZKALRGS-UHFFFAOYSA-N
rxn:4:196163:226327,Cc1ncc(-c2ccc(C3(C#N)CC3)cc2Cl)cc1C(C)(F)F,IQUATRBNCXSDDG-UHFFFAOYSA-N
rxn:4:196241:223200,Clc1cc(C2CCC2)ncc1-c1ccc(C2CCNC2)cc1,OYILTTDSWNRHRB-UHFFFAOYSA-N
rxn:4:196285:223281,CC1(c2cncc(-c3ccc(C4(O)COC4)nc3)c2)CC1(F)F,CNOGNNAKJQWZGO-UHFFFAOYSA-N
rxn:4:196802:222846,Cc1ccc(-c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2F)cn1,CIYAGGYWAHUFQB-UHFFFAOYSA-N
rxn:4:196845:223311,c1cc(-c2ccc(C3CCSCC3)nc2)cc(C2CNC2)c1,DDEFSUCAYKUUQU-UHFFFAOYSA-N
rxn:4:201287:229019,Cc1ccc(-c2cnc(OCC(C)(F)F)c(C#N)c2)c(C)n1,QBYHGUMIYXXTNO-UHFFFAOYSA-N
rxn:4:203190:227357,CCC(=O)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1F,VPBKVQFMARSGHF-UHFFFAOYSA-N
rxn:4:203190:228222,CC(C)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(F)n1,IQBZNASKJUJGGN-UHFFFAOYSA-N
rxn:4:203292:226340,N#Cc1cc(-c2cnc(OCC3CCOC3)cn2)c(Cl)c(C2CC2)c1,FYUMXQBXKVXXKX-UHFFFAOYSA-N
rxn:4:208261:222998,C#Cc1ncc(-c2cc(F)cc(C3CCCNC3)c2)c(C)n1,VATWFZVXEDHIHJ-UHFFFAOYSA-N
rxn:4:208261:224778,C#Cc1ncc(-c2c(F)cc(OC3CCOCC3)cc2F)c(C)n1,OPZOUCRYVIMPKK-UHFFFAOYSA-N
rxn:4:208339:223139,FS(F)(F)(F)(F)c1ncc(-c2ccc(C3CCNCC3)nc2)cn1,UQVOMZGIUKVAFW-UHFFFAOYSA-N
rxn:4:209178:222855,COc1cc(-c2ccc(-c3cc(F)cc(F)c3)nn2)cc(C2CCCNC2)c1,PNHXPQZOHMQAAO-UHFFFAOYSA-N
rxn:4:209724:226603,COC(=O)c1cc(F)c(C)c(-c2cnc(C3CCCCC3)cn2)c1,FVEIJZVDOGUVFT-UHFFFAOYSA-N
rxn:4:210435:225674,Cc1cc2c([N+](=O)[O-])cc(-c3cnc(C4CCCCC4)cc3F)cc2[nH]1,ZMRVPYTWPKMLAI-UHFFFAOYSA-N
rxn:4:217278:225197,N#Cc1c[nH]c2c(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cncc12,DQQVWQBRULWHDA-UHFFFAOYSA-N
rxn:4:225900:192842,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2cnc(F)c(C(F)(F)F)c2)cc1,SFUIUZRTOUSFRX-UHFFFAOYSA-N
rxn:4:175856:222885,CCc1cc(-c2ccc(C(=O)NC3CCOC3)cc2)ccc1-c1ccc(OC(F)(F)F)cc1,WWGCCBQLKKLYPY-UHFFFAOYSA-N
rxn:4:176606:223312,FC(F)(F)CCc1ccc(-c2ccc(C3CNC3)cc2)cc1,CPKDNAIKPIDHHL-UHFFFAOYSA-N
rxn:4:178648:223200,Fc1ccc(OC(F)F)cc1-c1ccc(C2CCNC2)cc1,UBEOZCRJEJWZOA-UHFFFAOYSA-N
rxn:4:178735:223240,O=C(c1ccc(-c2ccc(C3CCNC3)nc2)c(Cl)c1)C(F)F,PHRBITWLVKTVIQ-UHFFFAOYSA-N
rxn:4:178748:223312,FC(F)(F)C#Cc1ccc(-c2ccc(C3CNC3)cc2)cc1,IPQRNIQDJCIRCC-UHFFFAOYSA-N
rxn:4:178771:223312,Fc1cc(-c2ccc(C3CNC3)cc2)ccc1C#CC(F)(F)F,PKOTYDVOFWOHKO-UHFFFAOYSA-N
rxn:4:178851:223200,COC(=O)c1ccc(-c2ccc(C3CCNC3)cc2)cc1F,MBFGVYHCLLMTQE-UHFFFAOYSA-N
rxn:4:179840:223312,Clc1cc(O[C@@H]2CCOC2)ccc1-c1ccc(C2CNC2)cc1,TXKKIFICCYQBJK-QGZVFWFLSA-N
rxn:4:181867:223200,C[Si](C)(C)c1ccc(-c2ccc(C3CCNC3)cc2)c(F)c1F,OGRFBFPENDALEM-UHFFFAOYSA-N
rxn:4:182487:223002,Fc1cc(C2CCNCC2)ccc1-c1c(Cl)cc(F)c(F)c1F,YDAZSKNYCVMJCK-UHFFFAOYSA-N
rxn:4:183319:223240,c1cc(C2CCNC2)ncc1-c1ccc2c(c1)C1CCC2C1,MCQOJAXIRRWFNH-UHFFFAOYSA-N
rxn:4:186720:226822,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3cccs3)nc2Cl)c1)N1CCCC1,YDGIKKOFKLEJJA-UHFFFAOYSA-N
rxn:4:188147:223241,FC(F)(F)COc1ncc(-c2cncc(C3CCNC3)c2)cc1Cl,WHCVOZUEZRALBE-UHFFFAOYSA-N
rxn:4:188746:226155,CC(=O)c1cc(-c2ccc(OCC3CC3(F)F)cn2)cc(C2CC2)c1,GGRTVXPHPDYFQQ-UHFFFAOYSA-N
rxn:4:192580:228232,Fc1cc(-c2cnc(Cl)c(C3CC3)c2)cnc1OC1CCSC1,SRJCHZPLJJBQHU-UHFFFAOYSA-N
rxn:4:192580:228766,CCc1ccc(-c2cnc(OC3CCSC3)c(F)c2)c(F)n1,XQKIZIFNMWNANU-UHFFFAOYSA-N
rxn:4:193679:228524,COc1cc(-c2cnc3c(c2)CCC3)cnc1C1CCCCC1,MKHIVMQTRXJAAZ-UHFFFAOYSA-N
rxn:4:195150:225923,Fc1cc(N=C=S)cc(F)c1-c1cnc(OC2CCCC2)nc1Cl,UEDFEDBNPRXULL-UHFFFAOYSA-N
rxn:4:195152:225923,Fc1cc(-c2cnc(OC3CCCC3)nc2Cl)c(F)cc1N=C=S,FVYNIBHPLAVLGT-UHFFFAOYSA-N
rxn:4:195621:223200,Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCNC2)cc1,FJKSGXYKXHZCAP-UHFFFAOYSA-N
rxn:4:196112:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)cc([N+](=O)[O-])c1C,SYCDXNQFJJPYQN-UHFFFAOYSA-N
rxn:4:196226:226587,Cc1cc(C2CC2)ncc1-c1cnc(OC2CCC2)cc1F,WPMFNIGAHGZXPO-UHFFFAOYSA-N
rxn:4:196227:226591,Cc1c(-c2ccc(OC(C)C)c(F)c2F)cncc1C1CC1,WGEVGUJWSPESSD-UHFFFAOYSA-N
rxn:4:196285:226675,CC1(c2cncc(-c3cnc(C4CCCC4)nc3Cl)c2)CC1(F)F,ZRCZLYOBBWVKCT-UHFFFAOYSA-N
rxn:4:197017:227793,CN1CC=C(c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3F)cc2)CC1,NQZMHVHQULJDQY-UHFFFAOYSA-N
rxn:4:197481:223200,c1cc(C2CCNC2)ccc1-c1ccc(C23CC(C2)C3)cn1,DZUFBMVCUYXKAT-UHFFFAOYSA-N
rxn:4:198289:222925,Cc1c(Cl)ncc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1F,JJPHTSQQAGLCLL-UHFFFAOYSA-N
rxn:4:198849:223200,FC1(F)CCc2nc(-c3ccc(C4CCNC4)cc3)sc2C1,NICNCPLCHVWBRN-UHFFFAOYSA-N
rxn:4:199167:223200,Clc1nc2c(cc1-c1ccc(C3CCNC3)cc1)CCCC2,QONMFGFXTRYXLF-UHFFFAOYSA-N
rxn:4:202963:226340,CCCOc1cnc(-c2cc(C#N)cc(C3CC3)c2Cl)cn1,NJKQULHFYBNYEH-UHFFFAOYSA-N
rxn:4:203190:225848,Cc1cn(-c2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)c(Cl)c2)cn1,AWJHEPZELLEPBT-UHFFFAOYSA-N
rxn:4:205077:226508,N#C/C=C/c1cncc(-c2ccc(OCC3CC3)nc2F)c1,GSLLXYDUSFWHHY-OWOJBTEDSA-N
rxn:4:205660:228365,Clc1nc(C2CC2)ncc1-c1cnc(OC2CCSC2)nc1,LPHXLKJYEICZBU-UHFFFAOYSA-N
rxn:4:208261:225661,C#Cc1ncc(-c2ccc(N3CCOCC3)cc2C)c(C)n1,RESRWNAVFBRWFI-UHFFFAOYSA-N
rxn:4:209724:228473,O=[N+]([O-])c1ccc(F)c(-c2cnc(C3CCCCC3)cn2)c1,HDSVARKQDHIKEW-UHFFFAOYSA-N
rxn:4:210668:223200,Clc1cc(-c2ccc(C3CCNC3)cc2)cnc1N1CC2CC2C1,VOVINWDHMWQHIU-UHFFFAOYSA-N
rxn:4:224390:193007,CC(C)c1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc(S(N)(=O)=O)c1,XBZVMLPLSHFOKF-UHFFFAOYSA-N
rxn:4:226134:202856,Cc1c(-c2cnc(OCC(F)(F)F)cn2)cc(C#N)cc1C1CC1,HWKYHBFGHDWPLW-UHFFFAOYSA-N
rxn:4:176369:223312,FC(F)COc1ccc(-c2ccc(C3CNC3)cc2)cc1Cl,APDKYORUTBGRLF-UHFFFAOYSA-N
rxn:4:176749:223200,Cc1cc(OCCF)ccc1-c1ccc(C2CCNC2)cc1,MNTHOSGUCREIIR-UHFFFAOYSA-N
rxn:4:178747:223239,FC(F)=C(F)Oc1cccc(-c2cncc(C3CCCN3)c2)c1,VVSSEVPTNHYGLT-UHFFFAOYSA-N
rxn:4:178748:223306,FC(F)(F)C#Cc1ccc(-c2ccc3c(c2)CNCC3)cc1,OYJXTQVGTOBGFG-UHFFFAOYSA-N
rxn:4:178748:223311,FC(F)(F)C#Cc1ccc(-c2cccc(C3CNC3)c2)cc1,ANVWYPRRYMXJKF-UHFFFAOYSA-N
rxn:4:181038:223312,Fc1cc(-c2ccc(C3CNC3)cc2)cc(F)c1C(F)(F)F,JNNQIOSHOMAQLM-UHFFFAOYSA-N
rxn:4:181557:225802,CC(=O)c1cc(C)c(F)c(-c2ccc(OC3CCCC3)nc2F)c1,ZXUPVCCXULLEOA-UHFFFAOYSA-N
rxn:4:181883:223312,c1cc(C2CNC2)ccc1-c1ccc(C2COCCO2)cc1,DRPHJUYKCXZBBJ-UHFFFAOYSA-N
rxn:4:183134:223200,CC1(C)COc2cc(-c3ccc(C4CCNC4)cc3)ccc21,QPZNWAZJQWNVIY-UHFFFAOYSA-N
rxn:4:185749:226632,Cc1nc(-n2ccnc2)ccc1-c1cc(OC(C(F)(F)F)C(F)(F)F)ccn1,HKSGLHNMZRYKEL-UHFFFAOYSA-N
rxn:4:188097:223240,N#Cc1cc(OC(F)(F)F)ccc1-c1ccc(C2CCNC2)nc1,OMEMOKGFKKWZGX-UHFFFAOYSA-N
rxn:4:188133:223312,FC(F)(F)COc1cncc(-c2ccc(C3CNC3)cc2)c1,VHARMKWZRJTTAC-UHFFFAOYSA-N
rxn:4:188406:223242,FC(F)(F)CCc1ccc(-c2ccnc(C3CCNC3)c2)nc1,BNPZVSZFMLBZKS-UHFFFAOYSA-N
rxn:4:188746:223215,O=C1CCc2ccc(-c3ccc(OCC4CC4(F)F)cn3)cc2N1,UQFRJSVPIGLCHU-UHFFFAOYSA-N
rxn:4:195072:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(F)c(N=C=S)c1,XLDJAJXKAKUNAU-UHFFFAOYSA-N
rxn:4:195095:223005,FC(F)c1cc(-c2ccc(C3CCNCC3)c(Cl)c2)cnc1Cl,QPHNZUNBKZBLHE-UHFFFAOYSA-N
rxn:4:195454:225923,CC(=O)c1cnc(F)c(-c2cnc(OC3CCCC3)nc2Cl)c1,LERSBHALSWANQL-UHFFFAOYSA-N
rxn:4:195810:226587,Fc1cc(OC2CCC2)ncc1-c1ccnc(C2CC2)c1F,TYDONJIHOAAGAT-UHFFFAOYSA-N
rxn:4:196119:223002,Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C2CCNCC2)cc1F,OFYFZUGNKHAIDB-UHFFFAOYSA-N
rxn:4:196227:225688,Cc1c(-c2cnc(C3CCCCC3)c(Cl)c2)cncc1C1CC1,GQMPBVOJIIDTIH-UHFFFAOYSA-N
rxn:4:196246:226572,Fc1c(-c2cnc(OC3CCCC3)nc2)ccnc1C1CCC1,WZGJUZNLQPPDHD-UHFFFAOYSA-N
rxn:4:196327:222885,O=C(NC1CCOC1)c1ccc(-c2ccc(C3CC(F)(F)C3)nc2)cc1,XRJOAFLDVWCVQM-UHFFFAOYSA-N
rxn:4:196829:226155,CC(=O)c1cc(-c2ccc(C3CCCOC3)cn2)cc(C2CC2)c1,LINSZSLKXBHYAR-UHFFFAOYSA-N
rxn:4:197135:223200,c1cc(C2CCNC2)ccc1-c1cnc(C23CC(C2)C3)s1,RCGDGQKMPCOEJR-UHFFFAOYSA-N
rxn:4:198187:223059,Fc1ncc(-c2ccc(N3CCNCC3)cc2Cl)c(Cl)c1F,HVKMTOVODPLGNX-UHFFFAOYSA-N
rxn:4:198225:222803,Cc1cc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cnc1Cl,ZHDPCSDBTMNVFB-UHFFFAOYSA-N
rxn:4:198328:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)cnc(Cl)c1C,VYMBSYBHYDYNJE-UHFFFAOYSA-N
rxn:4:201287:228737,COc1ccc(-c2cnc(OCC(C)(F)F)c(C#N)c2)c(C)n1,ASMPDFUGGUVJMH-UHFFFAOYSA-N
rxn:4:201290:226340,CCCCOc1cnc(-c2cc(C#N)cc(C3CC3)c2Cl)cn1,BNZDSWZVUXTYNG-UHFFFAOYSA-N
rxn:4:202860:223306,FC(F)(F)COc1ncc(-c2ccc3c(c2)CNCC3)cn1,UKULLWRCEJMIIE-UHFFFAOYSA-N
rxn:4:203146:226155,CC(=O)c1cc(-c2cnc(OCC3CCC3)cn2)cc(C2CC2)c1,ODEVVJPPPOWSSD-UHFFFAOYSA-N
rxn:4:203190:228021,CC(=O)c1cc(C)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,VEUIKBFQLOYTEJ-UHFFFAOYSA-N
rxn:4:203190:228693,CCN(C)c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)s1,JIXPOXYLNLPUGF-UHFFFAOYSA-N
rxn:4:205010:226508,N#CCc1cc(-c2ccc(OCC3CC3)nc2F)cnc1F,GIHWDLXXEPJLFW-UHFFFAOYSA-N
rxn:4:205660:227441,Clc1cc(-c2cnc(OC3CCSC3)nc2)cnc1C1CCC1,XDWPVLDBNKINBD-UHFFFAOYSA-N
rxn:4:205689:228216,Clc1nc(OC2CCOC2)ncc1-c1cncc(C2CC2)c1Cl,DDTSKNSOCNKFKA-UHFFFAOYSA-N
rxn:4:206006:225456,CN1CCC(c2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)nc3Cl)cc2)CC1,ZPCQANSGMSIMMB-UHFFFAOYSA-N
rxn:4:208261:225283,C#Cc1ncc(-c2cnc(C(F)(F)F)c(C(C)CC)c2)c(C)n1,GPABGDAEFZETLQ-UHFFFAOYSA-N
rxn:4:208339:222999,FS(F)(F)(F)(F)c1ncc(-c2cc(Cl)cc(C3CCCNC3)c2)cn1,LRXUTLMRBYJDOB-UHFFFAOYSA-N
rxn:4:208996:223200,Cc1nc(C2CC2)nc(Cl)c1-c1ccc(C2CCNC2)cc1,SOOMKOVYONZPRN-UHFFFAOYSA-N
rxn:4:217340:225738,CCCCOc1cc(F)c(-c2cc([N+](=O)[O-])cc3nc[nH]c23)cc1F,LAAKVLGEEDYPJO-UHFFFAOYSA-N
rxn:4:217545:226587,Cc1c([N+](=O)[O-])cc(-c2cnc(OC3CCC3)cc2F)c2[nH]ncc12,SHJMAOYOYZQFMZ-UHFFFAOYSA-N
rxn:4:176345:223312,C#Cc1cc(OC(F)(F)F)ccc1-c1ccc(C2CNC2)cc1,NLGUTQHGNWMIMV-UHFFFAOYSA-N
rxn:4:176491:223312,COc1cc(OC(F)(F)F)ccc1-c1ccc(C2CNC2)cc1,ICANGWAPOXQXTB-UHFFFAOYSA-N
rxn:4:179099:223312,COc1cc(C(F)(F)F)ccc1-c1ccc(C2CNC2)cc1,FECPYQXWKBMROX-UHFFFAOYSA-N
rxn:4:180498:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CCCOC2)cc1C1CC1,IQQZVQGRQHNBLD-UHFFFAOYSA-N
rxn:4:180898:223142,C#Cc1cc(F)c(-c2ccc(C3CCCNC3)nc2)cc1Cl,ZINJEZNAOBFOAQ-UHFFFAOYSA-N
rxn:4:180989:223130,OC1CN(Cc2ccc(-c3cccc(C(F)(F)F)c3Cl)cc2)C1,CURMFURJHYVDCQ-UHFFFAOYSA-N
rxn:4:181006:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)cc(F)c1C(F)F,VWTVBYUXQLDLDO-UHFFFAOYSA-N
rxn:4:181641:223312,Fc1cc(C2OCCO2)ccc1-c1ccc(C2CNC2)cc1,JLTOPGAIGLEPNS-UHFFFAOYSA-N
rxn:4:188097:223200,N#Cc1cc(OC(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,VOQSAQOTNBJJNS-UHFFFAOYSA-N
rxn:4:188237:223312,O=C(Cc1ccc(-c2ccc(C3CNC3)cc2)cn1)C(F)(F)F,LHCZXFSXRMATDO-UHFFFAOYSA-N
rxn:4:188746:223400,CNCc1cccc(-c2ccc(OCC3CC3(F)F)cn2)c1,DIGBIPZUMCRMCE-UHFFFAOYSA-N
rxn:4:189246:224001,CN(C)CCc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)c(F)c1,WVZWRQAWYXMTGF-UHFFFAOYSA-N
rxn:4:191999:225674,COC(=O)c1cc(C)nc(-c2cnc(C3CCCCC3)cc2F)c1,MKHJPBCVKLMUDY-UHFFFAOYSA-N
rxn:4:194517:223106,OC1CCN(c2ncc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)c(Cl)n2)C1,VFWGGXODYJQEBT-UHFFFAOYSA-N
rxn:4:194956:225802,N#Cc1ccc(F)c(-c2ccc(OC3CCCC3)nc2F)c1,LOYZBJRZSGKWRF-UHFFFAOYSA-N
rxn:4:195146:223139,Fc1c(N=C=S)ccc(-c2ccc(C3CCNCC3)nc2)c1Cl,SNYNONYDFWEISU-UHFFFAOYSA-N
rxn:4:195152:226235,CCCCOc1ccc(-c2cc(F)c(N=C=S)cc2F)c(C)n1,ICJUDDKINQDIKY-UHFFFAOYSA-N
rxn:4:195153:223200,O=[N+]([O-])c1cc(-c2ccc(C3CCNC3)cc2)c(F)cc1Cl,VSZVXCJIRWYYBJ-UHFFFAOYSA-N
rxn:4:195157:222990,O=[N+]([O-])c1cc(-c2ccc(N3CCC(O)CC3)cc2)cc(Cl)c1F,WYHFJPPGFQUPIP-UHFFFAOYSA-N
rxn:4:195494:223200,Cc1c(-c2ccc(C3CCNC3)cc2)cc(C#N)c(F)c1F,ALFRHRLBYKYYTC-UHFFFAOYSA-N
rxn:4:195600:227299,Cc1cc(N=C=S)c(F)cc1-c1cc(F)cc(CN(C)C)c1,AYNGSOSTDAEMLF-UHFFFAOYSA-N
rxn:4:195601:226444,Cc1cc(-c2ccc(C3CCCO3)nc2C)c(F)cc1N=C=S,VAMOJBNAVDMHNL-UHFFFAOYSA-N
rxn:4:195621:222985,Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)nc1C,SJTJXCMPKPUHRO-UHFFFAOYSA-N
rxn:4:196285:228064,CC1(c2cncc(-c3cnc4c(c3)C(=O)CC4)c2)CC1(F)F,ADLIXTGDCWNOQM-UHFFFAOYSA-N
rxn:4:196750:223200,Fc1c(-c2ccc(C3CCNC3)cc2)ccc(N2CCCC2)c1F,KULFDQUICUBBHZ-UHFFFAOYSA-N
rxn:4:196810:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(-c2ccc(F)cc2C)nc1,XQGGWBJTRVZSEY-UHFFFAOYSA-N
rxn:4:196868:228223,Fc1nc(C2CC2)ccc1-c1ccc(C2CCCCO2)nc1F,MHQSCJSVMMWVTL-UHFFFAOYSA-N
rxn:4:198286:225881,Cc1nc(Cl)c(F)cc1-c1ccc(C2CCOCC2)nc1F,AMUBVIKZKPIPAH-UHFFFAOYSA-N
rxn:4:203154:228278,COc1cc(C)c(F)cc1-c1cnc(OCC2CCC2)nc1,OEAFDJCTLOUHFF-UHFFFAOYSA-N
rxn:4:203190:228387,COc1cc(=O)n(C)cc1-c1cnc(OCC2CC(F)(F)C2)nc1,PGQJTNVTCVTMEP-UHFFFAOYSA-N
rxn:4:203190:229114,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)cn1,NTGHEUPWWAHDFK-UHFFFAOYSA-N
rxn:4:205355:223200,N#Cc1nc(C2CC2)ccc1-c1ccc(C2CCNC2)cc1,RCWKJBGVXSVAQY-UHFFFAOYSA-N
rxn:4:205990:225456,CN1CCC(c2ccc(-c3ncc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)CC1,MCDQGNNZNKJJMP-UHFFFAOYSA-N
rxn:4:208038:223002,N#Cc1cc(Cl)ncc1-c1ccc(C2CCNCC2)cc1F,ZFCYDVKYNVTNQP-UHFFFAOYSA-N
rxn:4:208192:225456,CN1CCC(c2ccc(-c3cnc(C(F)(F)F)nc3Cl)cc2)CC1,VBTKYHQBBGIERN-UHFFFAOYSA-N
rxn:4:208261:222999,C#Cc1ncc(-c2cc(Cl)cc(C3CCCNC3)c2)c(C)n1,MWGXEHHBQQVUMV-UHFFFAOYSA-N
rxn:4:208261:225674,C#Cc1ncc(-c2cnc(C3CCCCC3)cc2F)c(C)n1,OLSOKOCAHWWFNO-UHFFFAOYSA-N
rxn:4:208339:223009,FS(F)(F)(F)(F)c1ncc(-c2cc(Cl)cc(C3CCNCC3)c2)cn1,HGIPZVSKPVDLNP-UHFFFAOYSA-N
rxn:4:176380:223312,Fc1cc(OCC(F)F)cc(-c2ccc(C3CNC3)cc2)c1,OCBKMLGYGHJBFL-UHFFFAOYSA-N
rxn:4:176383:223241,Fc1cc(OCC(F)F)ccc1-c1cncc(C2CCNC2)c1,WQRDLLJZGMAWFV-UHFFFAOYSA-N
rxn:4:177675:223200,Fc1cc(-c2ccc(-c3ccc(C4CCNC4)cc3)cc2)ccc1OC(F)(F)F,SSMYCZDWQUXHMM-UHFFFAOYSA-N
rxn:4:179624:223312,FC(F)(c1ccc(-c2ccc(C3CNC3)cc2)cc1)C1CC1,XRIBULFIYBDVNL-UHFFFAOYSA-N
rxn:4:182298:223307,CC12CC(c3ccc(-c4ccc5c(c4)CCNC5)cc3)(C1)C2,QHRGMRNHMHZDMI-UHFFFAOYSA-N
rxn:4:182526:223062,Cc1cc(Cl)c(F)cc1-c1cnc(C2CCNCC2)cc1F,RPDABAZBLCMOJH-UHFFFAOYSA-N
rxn:4:182539:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)ccc(F)c1F,OJJSUZPGNKMAPT-UHFFFAOYSA-N
rxn:4:185921:223200,COC(=O)c1cc(-c2ccc(C3CCNC3)cc2)c(C#N)cc1C(F)(F)F,QZQXVBKCBPOAOM-UHFFFAOYSA-N
rxn:4:186750:226822,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3cccs3)nc2Cl)c1)N1CCC(F)(F)C1,SRXAGEDMEMTMES-UHFFFAOYSA-N
rxn:4:188131:223200,FC(F)(F)COc1ccc(-c2ccc(C3CCNC3)cc2)cn1,SSVOGEYEECHYCA-UHFFFAOYSA-N
rxn:4:188147:223200,FC(F)(F)COc1ncc(-c2ccc(C3CCNC3)cc2)cc1Cl,STFNSSRPCISKLH-UHFFFAOYSA-N
rxn:4:191387:223002,N#Cc1cc(C(F)F)ccc1-c1ccc(C2CCNCC2)cc1F,SHVURRQVMLSHDV-UHFFFAOYSA-N
rxn:4:192176:223200,O=[N+]([O-])c1cc(-c2ccc(C3CCNC3)cc2)ccc1C1CC1,GUVURSHQNDPMOD-UHFFFAOYSA-N
rxn:4:192580:228719,Cc1cnc(C#N)cc1-c1cnc(OC2CCSC2)c(F)c1,CBODUUADTBGVOA-UHFFFAOYSA-N
rxn:4:194878:223000,Fc1cc(-c2ncc(C(F)F)s2)ccc1C1CCCNC1,YVLXDEYADWICHK-UHFFFAOYSA-N
rxn:4:195068:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)ccc1N=C=S,MJYSSQYJLBHINK-UHFFFAOYSA-N
rxn:4:195068:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(N=C=S)c(F)c1,JIIGBVQYEBXBOJ-UHFFFAOYSA-N
rxn:4:195146:225881,Fc1nc(C2CCOCC2)ccc1-c1ccc(N=C=S)c(F)c1Cl,JUWPRTMORNKNRI-UHFFFAOYSA-N
rxn:4:195152:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(F)c(N=C=S)cc1F,LFVSLTKTHUEDSC-UHFFFAOYSA-N
rxn:4:195158:223002,O=[N+]([O-])c1c(Cl)ccc(-c2ccc(C3CCNCC3)cc2F)c1F,LTPHLQNPOYPTTQ-UHFFFAOYSA-N
rxn:4:195219:223200,Fc1cc(C(F)(F)F)cnc1-c1ccc(C2CCNC2)cc1,BVUUVFXGZRRQFE-UHFFFAOYSA-N
rxn:4:195443:225802,CC(=O)c1cc(-c2ccc(OC3CCCC3)nc2F)cc(F)n1,NCLISDOOGHLECE-UHFFFAOYSA-N
rxn:4:195604:227092,Cc1nc(C2CCC2)ccc1-c1ccc(N=C=S)c(C)c1F,GOKMBQZRSNXWDM-UHFFFAOYSA-N
rxn:4:195632:222985,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCNC3)nc2C)c1Cl,ALVZMSTUUUDSLR-UHFFFAOYSA-N
rxn:4:195642:223200,Cc1cc(F)c(-c2ccc(C3CCNC3)cc2)cc1[N+](=O)[O-],BIBGGMCFTITTBO-UHFFFAOYSA-N
rxn:4:195792:226335,N#Cc1cc(-c2cncc(C3CC3)c2Cl)ccc1C1COC1,WPCWGZWKBSFPAI-UHFFFAOYSA-N
rxn:4:195862:222985,Cc1nc(C2CCCNC2)ccc1-c1cncc(C2CC2(F)F)c1,IDNZMNVHZRDIOC-UHFFFAOYSA-N
rxn:4:196109:225683,Cc1cc(N=C=S)cc(C)c1-c1ccc(C2CCCOC2)nc1C,WKFSYRQUQMKIGL-UHFFFAOYSA-N
rxn:4:196235:226587,Cc1nc(C2CC2)ccc1-c1cnc(OC2CCC2)cc1F,AFHWZYUIPMHNFK-UHFFFAOYSA-N
rxn:4:196475:222855,COc1cc(-c2ccc(-c3cc(F)cc(F)c3)nc2)cc(C2CCCNC2)c1,QVGFPHRSNVCZAD-UHFFFAOYSA-N
rxn:4:197200:223200,N#Cc1c(-c2ccc(C3CCNC3)cc2)sc2c1CCCC2,WHAVDELTRNSKBI-UHFFFAOYSA-N
rxn:4:198143:222803,Fc1cc(Cl)cnc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,QJDUREJWWVLTNH-UHFFFAOYSA-N
rxn:4:198287:225881,Cc1c(-c2ccc(C3CCOCC3)nc2F)cnc(Cl)c1F,WCUNXRTUZLEJBA-UHFFFAOYSA-N
rxn:4:202860:223241,FC(F)(F)COc1ncc(-c2cncc(C3CCNC3)c2)cn1,LIHBJLAHIJGXJH-UHFFFAOYSA-N
rxn:4:205264:226509,Cc1cc([N+](=O)[O-])cc(-c2ccc(OCC(C)C)nc2F)c1C#N,HKZDICGLYBLXPP-UHFFFAOYSA-N
rxn:4:206032:228247,CC(=O)c1ccc(F)c(-c2ccc(OC3CCCC3)nn2)c1,QVEMKVRNWVBSHU-UHFFFAOYSA-N
rxn:4:206156:227413,CCC(C)c1ncc(-c2cnc(C3CCC3)cc2F)c(C)n1,ZNOKFGGEKRQLJZ-UHFFFAOYSA-N
rxn:4:208261:225408,C#Cc1ncc(-c2cc3c4c(c2)CCCN4CCC3)c(C)n1,GRBLYUGZPQMJEO-UHFFFAOYSA-N
rxn:4:209970:224705,CC1CCN(c2ccc(-c3cc([N+](=O)[O-])c4cc[nH]c4c3)c(F)c2F)CC1,WTNQTUDFSYRETN-UHFFFAOYSA-N
rxn:4:225835:186620,COc1cc(OC)c(-c2cnc(-c3ccc(F)cc3)nc2)cc1C=C(C)[N+](=O)[O-],HJBPVIPFGWSSJD-UHFFFAOYSA-N
rxn:4:175470:223241,FC(F)C(F)(F)Oc1cccc(-c2ccc(-c3cncc(C4CCNC4)c3)cc2)c1,SXBDTSXTYNFHHM-UHFFFAOYSA-N
rxn:4:176629:223200,CCOC(=O)c1cc(-c2ccc(C3CCNC3)cc2)c(F)cc1Cl,HQLKHTVZFQMMMC-UHFFFAOYSA-N
rxn:4:178489:223312,COC(=O)C12CC(c3ccc(-c4ccc(C5CNC5)cc4)cc3)(C1)C2,UQVMCGSNLZXTLQ-UHFFFAOYSA-N
rxn:4:178662:223200,Fc1c(-c2ccc(C3CCNC3)cc2)ccc(Cl)c1OC(F)F,WZZXBYRKFNAYMD-UHFFFAOYSA-N
rxn:4:178771:223311,Fc1cc(-c2cccc(C3CNC3)c2)ccc1C#CC(F)(F)F,GIBOBCNMCIPJDH-UHFFFAOYSA-N
rxn:4:178900:223200,FCc1cc(-c2ccc(C3CCNC3)cc2)ccc1C(F)(F)F,QWVQAJIKQUVXNL-UHFFFAOYSA-N
rxn:4:179079:223312,Cc1cc(OC(F)(F)F)ccc1-c1ccc(C2CNC2)cc1,XYMWNLKOCMEBOU-UHFFFAOYSA-N
rxn:4:180168:222807,COc1cc(-c2ccc(-c3cc(C(=O)NC4CC4)cc([N+](=O)[O-])c3)cc2)cc(F)c1F,SNHWTQOURXZPAY-UHFFFAOYSA-N
rxn:4:180875:223002,C#Cc1ccc(-c2ccc(C3CCNCC3)cc2F)c(Cl)c1,ANHKVWXKVLRCBM-UHFFFAOYSA-N
rxn:4:180927:223000,FCc1c(-c2ccc(C3CCCNC3)c(F)c2)ccc(Cl)c1F,VZQVRIAAQFWSOL-UHFFFAOYSA-N
rxn:4:180928:223139,FCc1c(Cl)ccc(-c2ccc(C3CCNCC3)nc2)c1F,BDWMWIAHMBBGSN-UHFFFAOYSA-N
rxn:4:180989:223139,FC(F)(F)c1cccc(-c2ccc(C3CCNCC3)nc2)c1Cl,WTQUBBNKDQMOIJ-UHFFFAOYSA-N
rxn:4:181003:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)ccc1C(F)(F)F,ZXJGSHHISLBFBR-UHFFFAOYSA-N
rxn:4:181536:223200,Clc1cc(-c2ccc(C3CCNC3)cc2)ccc1C1COC1,NBRLEGKFARDKEZ-UHFFFAOYSA-N
rxn:4:181573:226025,CC(C)(C)c1coc(-c2cnc(OC3CCOC3)nc2Cl)c1,HEYISZXCOSFOTF-UHFFFAOYSA-N
rxn:4:181631:227793,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3F)cc2F)C1,YCULIYGYPKKMBI-UHFFFAOYSA-N
rxn:4:181720:223142,FC1(F)CC(c2cccc(-c3ccc(C4CCCNC4)nc3)c2)C1,KKANHBQNJQPTAT-UHFFFAOYSA-N
rxn:4:181991:223062,Cc1ccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(Cl)c2F)cc1,RSALVYBUWUNLQD-UHFFFAOYSA-N
rxn:4:188129:223311,FC(F)(F)COc1ccc(-c2cccc(C3CNC3)c2)nc1,JPRUFJADZDWCQF-UHFFFAOYSA-N
rxn:4:191315:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(OC(F)(F)F)nc1Cl,WYLYVZMXZWLDAV-UHFFFAOYSA-N
rxn:4:193285:224331,O=C(c1cc(F)c(F)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c1)N1CCOCC1,MEGAEICQWDKPHO-UHFFFAOYSA-N
rxn:4:194582:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2cc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1,QQHJUUYDHMPDSL-UHFFFAOYSA-N
rxn:4:194937:223005,C#Cc1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)cc1F,UCWQNMTVLUYOOS-UHFFFAOYSA-N
rxn:4:195152:222998,Fc1cc(-c2cc(F)c(N=C=S)cc2F)cc(C2CCCNC2)c1,MSWOQLPQZRQKCH-UHFFFAOYSA-N
rxn:4:195262:223002,Fc1cc(C2CCNCC2)ccc1-c1ncc(C2CC2)s1,AEYPKGSJXVATPC-UHFFFAOYSA-N
rxn:4:195524:222925,CCc1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cnc1Cl,UIJCWKURHUDMFX-UHFFFAOYSA-N
rxn:4:195791:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C2CC2)cc1Cl,FOHJWWWTQOHTTC-UHFFFAOYSA-N
rxn:4:196285:228304,CC(C)Oc1ncc(-c2cncc(C3(C)CC3(F)F)c2)cn1,LDXONBHJMNPXDI-UHFFFAOYSA-N
rxn:4:196959:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1N1CCCC1,GRKDUHZZNNZUOM-UHFFFAOYSA-N
rxn:4:197044:227793,CN1CCC(c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3F)cc2)CC1,AZHXXMTUPJGBJQ-UHFFFAOYSA-N
rxn:4:201295:223311,N#Cc1nc(OCC2CC2)ccc1-c1cccc(C2CNC2)c1,NQTMCKWLDOSMSF-UHFFFAOYSA-N
rxn:4:203190:225946,CC(=O)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C(F)(F)F)c1,MVFBWYCZUGNNSZ-UHFFFAOYSA-N
rxn:4:203190:229106,Cc1cnc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,PDRIYXRLFZFMFH-UHFFFAOYSA-N
rxn:4:205024:225923,N#Cc1ccc([N+](=O)[O-])cc1-c1cnc(OC2CCCC2)nc1Cl,OBTFDVDENKGHLH-UHFFFAOYSA-N
rxn:4:205037:223070,CC(C)(C)OC(=O)Nc1cc(-c2cc([N+](=O)[O-])cc(F)c2C#N)cs1,XUDNKIUCNKXORD-UHFFFAOYSA-N
rxn:4:205217:223200,CC(C)c1nsc(-c2ccc(C3CCNC3)cc2)c1C#N,NMASWRFXGJXLPM-UHFFFAOYSA-N
rxn:4:208193:222803,C#Cc1c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cnn1C,IQOWEYCWFFAZJX-UHFFFAOYSA-N
rxn:4:208448:223200,Cc1nc(Cl)c([N+](=O)[O-])cc1-c1ccc(C2CCNC2)cc1,LTGYATPBXKGHFP-UHFFFAOYSA-N
rxn:4:209243:226340,N#Cc1cc(-c2ccc(N3CCSC3)nc2)c(Cl)c(C2CC2)c1,INJAXQLVMHOIPC-UHFFFAOYSA-N
rxn:4:210569:223200,CC12CC(n3cc(-c4ccc(C5CCNC5)cc4)cn3)(C1)C2,RIGYYYKVAGQJRP-UHFFFAOYSA-N
rxn:4:178631:223240,FC(F)Oc1ccc(-c2ccc(C3CCNC3)nc2)c(Cl)c1,JLUJTJRESKOMNU-UHFFFAOYSA-N
rxn:4:179630:223200,FC(F)(F)[C@@H]1C[C@H]1c1ccc(-c2ccc(C3CCNC3)cc2)cc1,RSASOTJJOHDDBA-JLMCIHFGSA-N
rxn:4:180866:223002,Fc1cc(C2CCNCC2)ccc1-c1coc(C(F)(F)F)c1,BARQJSUGSVXVGX-UHFFFAOYSA-N
rxn:4:180935:223139,FCc1cc(F)c(-c2ccc(C3CCNCC3)nc2)cc1F,IZXDGDYMVGYXIF-UHFFFAOYSA-N
rxn:4:180959:223130,OC1CN(Cc2ccc(-c3ccc(C(F)F)cc3F)cc2)C1,UGWHQZFQSFLMPZ-UHFFFAOYSA-N
rxn:4:181008:223142,Fc1c(-c2ccc(C3CCCNC3)nc2)ccc(C(F)F)c1F,BVIFWZZOSHNHHK-UHFFFAOYSA-N
rxn:4:181020:223139,Fc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(C2CCNCC2)nc1,UQLJPBPESUXTPS-UHFFFAOYSA-N
rxn:4:182688:223002,Fc1cc(C2CCNCC2)ccc1-c1cc2c(s1)CCC2,MXWYTFVJODWIHB-UHFFFAOYSA-N
rxn:4:182727:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc2c(c1)OCC2,AGNFALHJRSJDNV-UHFFFAOYSA-N
rxn:4:188147:223307,FC(F)(F)COc1ncc(-c2ccc3c(c2)CCNC3)cc1Cl,ZSOBQNRQQFDTGH-UHFFFAOYSA-N
rxn:4:188381:223199,CCOC(=O)c1ccc(-c2cccc(C3CCNC3)c2)nc1Cl,RPKIPKQXGDFQFV-UHFFFAOYSA-N
rxn:4:191400:223058,N#Cc1cc(C(F)(F)F)ccc1-c1cc(F)nc(C2CCCNC2)c1,LKHGWLIKOTUMGE-UHFFFAOYSA-N
rxn:4:191828:223312,COc1nc(C(F)(F)F)ccc1-c1ccc(C2CNC2)cc1,FJYUNXFGIDEXGO-UHFFFAOYSA-N
rxn:4:192349:223312,CC(C)(C#N)c1ccc(-c2ccc(C3CNC3)cc2)cc1F,PBKPBTZTRCYYDG-UHFFFAOYSA-N
rxn:4:192580:227321,COc1c(-c2cnc(OC3CCSC3)c(F)c2)cncc1C1CC1,RXTUMDLTTHQSGU-UHFFFAOYSA-N
rxn:4:192580:228765,CCc1cc(F)c(-c2cnc(OC3CCSC3)c(F)c2)cn1,KQBPGMMJLYAWLP-UHFFFAOYSA-N
rxn:4:194582:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)cc3)cc2)N1,GQJAQCITMUTNNQ-UHFFFAOYSA-N
rxn:4:195161:225677,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCCCC3)nc2F)c1,YJCUWYGOVITHGL-UHFFFAOYSA-N
rxn:4:195210:223004,Fc1cc(-c2ccnc(C(F)(F)F)c2Cl)ccc1C1CCNCC1,DJBQMJJXHUFWIE-UHFFFAOYSA-N
rxn:4:195559:223200,c1cc(C2CCNC2)ccc1-c1ncc(C2OCCO2)s1,ZGMXVFVRQPHAQA-UHFFFAOYSA-N
rxn:4:195600:227315,Cc1cc(N=C=S)c(F)cc1-c1cnc(CC(C)C)cc1F,KHNZBMCGXOJDDC-UHFFFAOYSA-N
rxn:4:195621:223002,Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCNCC2)cc1F,SYZIWVIAQILMOK-UHFFFAOYSA-N
rxn:4:195667:223200,Cc1nc(-c2ccc(C3CCNC3)cc2)ccc1C(F)(F)F,PGOLUYGCKDJGFK-UHFFFAOYSA-N
rxn:4:195792:226457,Fc1cc(-c2cncc(C3CC3)c2Cl)ccc1C1CCOC1,OEDBDRHAQNEWAO-UHFFFAOYSA-N
rxn:4:195808:225881,Fc1nc(C2CCOCC2)ccc1-c1nccc(C2CC2)c1F,NTDAWVUWHFFITG-UHFFFAOYSA-N
rxn:4:196956:223200,Cc1cc(N2CCCC2)ccc1-c1ccc(C2CCNC2)cc1,JJNKKQKDDAZWPV-UHFFFAOYSA-N
rxn:4:198495:223200,O=C1C=c2c(Cl)cc(-c3ccc(C4CCNC4)cc3)cc2=N1,YQGCPSSEELOJMK-UHFFFAOYSA-N
rxn:4:203146:228447,Fc1c(-c2cnc(OCC3CCC3)cn2)cccc1C(F)F,HKDAMEZCSUVKTC-UHFFFAOYSA-N
rxn:4:203190:228215,Cc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)c1C#N,XDZPIVAPHFWJNO-UHFFFAOYSA-N
rxn:4:204974:222803,C#CCn1cc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,DIFJDQSRLRGQOC-UHFFFAOYSA-N
rxn:4:205264:226675,Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCCC3)nc2Cl)c1C#N,GUFHSDOETKRKOT-UHFFFAOYSA-N
rxn:4:205415:223200,N#Cc1nc(C2COC2)ccc1-c1ccc(C2CCNC2)cc1,AUKLUCCLSZAYKY-UHFFFAOYSA-N
rxn:4:205660:226331,N#CC1(c2ccc(-c3cnc(OC4CCSC4)nc3)c(F)c2)CC1,JGPGSJNEDHBYNR-UHFFFAOYSA-N
rxn:4:208128:225677,O=[N+]([O-])c1cc(-c2ccc(C3CCCCC3)nc2F)ccn1,YDYYFUHXTUUJNT-UHFFFAOYSA-N
rxn:4:208231:222803,COc1nc(Cl)ncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,CGCKVVXEIVYASI-UHFFFAOYSA-N
rxn:4:208261:223000,C#Cc1ncc(-c2ccc(C3CCCNC3)c(F)c2)c(C)n1,WBIHVBLFQAFZHP-UHFFFAOYSA-N
rxn:4:208339:223147,FS(F)(F)(F)(F)c1ncc(-c2ccc(C3CNCCO3)cc2)cn1,FYEMEPTZNCSEBH-UHFFFAOYSA-N
rxn:4:209760:228223,Fc1nc(C2CC2)ccc1-c1cnc(C2CCCCC2)nc1Cl,URYQQSGOEAHENC-UHFFFAOYSA-N
rxn:4:209963:225053,CC1CCCCN1c1ccc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)c(F)c1,KLKRHQBSBGIPOY-UHFFFAOYSA-N
rxn:4:211165:222803,Fc1nc(Cl)ncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,OERDBLSEPZOAHJ-UHFFFAOYSA-N
rxn:4:176359:223239,FCCOc1ccc(-c2cncc(C3CCCN3)c2)c(F)c1,YLOWAGVGEXEFKH-UHFFFAOYSA-N
rxn:4:176391:223311,FC(F)(F)COc1ccc(-c2cccc(C3CNC3)c2)c(Cl)c1,CKGVYELLXUZPTR-UHFFFAOYSA-N
rxn:4:176435:223311,Fc1c(OCC(F)(F)F)ccc(-c2cccc(C3CNC3)c2)c1F,XQVPVPJNZZENHS-UHFFFAOYSA-N
rxn:4:178630:223240,FC(F)Oc1cccc(-c2ccc(C3CCNC3)nc2)c1Cl,IMFWWPSLIZFWHT-UHFFFAOYSA-N
rxn:4:178640:223199,Fc1cc(OC(F)F)ccc1-c1cccc(C2CCNC2)c1,ZKJSXZWSUZJTIN-UHFFFAOYSA-N
rxn:4:180513:223241,CC(c1ccc(-c2cncc(C3CCNC3)c2)cc1)C1CCCCC1,DMBRMGWQGKNLAV-UHFFFAOYSA-N
rxn:4:180898:223139,C#Cc1cc(F)c(-c2ccc(C3CCNCC3)nc2)cc1Cl,CFNVNKYIYRQPIW-UHFFFAOYSA-N
rxn:4:181088:223002,COc1cc(-c2ccc(C3CCNCC3)cc2F)ccc1F,JUIAYYJUKYPHDH-UHFFFAOYSA-N
rxn:4:182095:223137,CC1CCC(c2ccc(-c3cncc(C4CCCNC4)c3)cc2)CC1,WVZINCBZRRZXMK-UHFFFAOYSA-N
rxn:4:182686:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)cc2c1OC(F)(F)O2,VVZCVFPBHCEIDH-UHFFFAOYSA-N
rxn:4:183279:227023,CC(c1ccc(-c2ccc3c(c2)C2C(C3)C2(F)F)cc1)N(C)C,NEKSAUKZIGCLMM-UHFFFAOYSA-N
rxn:4:188128:223200,FC(F)(F)OCc1ccc(-c2ccc(C3CCNC3)cc2)nc1,DKZXKRWJCJMSIZ-UHFFFAOYSA-N
rxn:4:191283:223200,FC(F)(F)Sc1ccc(-c2ccc(C3CCNC3)cc2)cn1,CMXMZNKENNGELZ-UHFFFAOYSA-N
rxn:4:191730:223241,Cc1nc(OC(F)F)ccc1-c1cncc(C2CCNC2)c1,RSFLVVRJBNAZQJ-UHFFFAOYSA-N
rxn:4:195087:223142,O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C3CCCNC3)nc2)c1,ZUCJWPRDQBKLBP-UHFFFAOYSA-N
rxn:4:195111:223137,FC(F)c1ccc(-c2cncc(C3CCCNC3)c2)nc1Cl,VBGRPAPJXDWCJG-UHFFFAOYSA-N
rxn:4:195146:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(N=C=S)c(F)c1Cl,KBGSQIGYKWWBJM-UHFFFAOYSA-N
rxn:4:195152:222849,N#Cc1cc(-c2cc(F)c(N=C=S)cc2F)ccc1C1CCNCC1,CIWVLOCDNYCNAA-UHFFFAOYSA-N
rxn:4:195175:223166,O=[N+]([O-])c1cc(F)c(-c2ccc(N3CCNCC3)nc2)c(Cl)c1,LVQKUCRAYSGMFK-UHFFFAOYSA-N
rxn:4:195600:223197,Cc1cc(N=C=S)c(F)cc1-c1ccc(CNC2CC2)cc1,LUHAKTNGXDDRDW-UHFFFAOYSA-N
rxn:4:195600:227292,Cc1cc(N=C=S)c(F)cc1-c1ccc(F)c(CN(C)C)c1,KPGAPCUPPKONKW-UHFFFAOYSA-N
rxn:4:195642:225677,Cc1cc(F)c(-c2ccc(C3CCCCC3)nc2F)cc1[N+](=O)[O-],OPLRJEBHSPVZMA-UHFFFAOYSA-N
rxn:4:195734:223002,Fc1cc(C2CCNCC2)ccc1-c1ccnc(C2CC2)c1,WBTWPGOMMMYWRL-UHFFFAOYSA-N
rxn:4:195753:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C2CCC2)s1,AROGOHCZDLUJOR-UHFFFAOYSA-N
rxn:4:195792:226446,Cc1nc(C2CCOC2)ccc1-c1cncc(C2CC2)c1Cl,MIQOEXOBPNYNKF-UHFFFAOYSA-N
rxn:4:196146:223200,c1cc(-c2ccc(C3CCNC3)cc2)ccc1C1=NCCO1,CWHVVETXIWBHQO-UHFFFAOYSA-N
rxn:4:196241:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(C3CCC3)cc2Cl)c1,LKAAMZLFJRFVLN-UHFFFAOYSA-N
rxn:4:196284:225881,CC1(c2cc(-c3ccc(C4CCOCC4)nc3F)ccn2)CC1(F)F,JLKIQMFABXZTST-UHFFFAOYSA-N
rxn:4:196866:228768,CCc1cc(-c2ccc(C3CCCOC3)nc2F)c(F)cn1,FOEZGPUPASYZFP-UHFFFAOYSA-N
rxn:4:196868:228588,CC#Cc1cc(-c2ccc(C3CCCCO3)nc2F)ccn1,DPTSQINHZSLZFK-UHFFFAOYSA-N
rxn:4:196972:229076,Cc1cc(C#N)sc1-c1ccc(C2CCCCC2)nc1F,RYZAAMSPGBLMBR-UHFFFAOYSA-N
rxn:4:203190:227870,O=C1CCc2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)cc21,MOUYNJPBIJPJAO-UHFFFAOYSA-N
rxn:4:203512:226155,CC(=O)c1cc(-c2cnc(OCC3CCCCO3)nc2)cc(C2CC2)c1,XBZDXMALMODJIO-UHFFFAOYSA-N
rxn:4:205011:224778,N#CCc1cc(-c2c(F)cc(OC3CCOCC3)cc2F)c(F)cn1,JFMUSOWDMJKBAI-UHFFFAOYSA-N
rxn:4:205037:223000,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)c(F)c1,WRCFWCAYYKLUSO-UHFFFAOYSA-N
rxn:4:205264:225806,Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCCC3)cc2F)c1C#N,LGAGJUOQVTXYRI-UHFFFAOYSA-N
rxn:4:208261:222925,C#Cc1ncc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(C)n1,GJGSJZPLTNLYBO-UHFFFAOYSA-N
rxn:4:208315:225881,Cc1c(-c2ccc(C3CCOCC3)nc2F)cnc(Cl)c1C#N,TWMUDMLTZDVTJD-UHFFFAOYSA-N
rxn:4:209963:225576,N#Cc1cc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)ccc1N1CCCC1,MDPKPWGQCCFLTA-UHFFFAOYSA-N
rxn:4:210435:225677,Cc1cc2c([N+](=O)[O-])cc(-c3ccc(C4CCCCC4)nc3F)cc2[nH]1,JHTCZTGOAVKHRH-UHFFFAOYSA-N
rxn:4:217545:225219,Cc1c([N+](=O)[O-])cc(-c2cnc(N3CCCCC3C)cc2F)c2[nH]ncc12,WMOVFYXKTWHRQA-UHFFFAOYSA-N
rxn:4:177156:223312,CCc1cc(-c2ccc(C3CNC3)cc2)ccc1C(=O)OC,SNCVNRXPTDTKHS-UHFFFAOYSA-N
rxn:4:178260:222405,CCc1cc(-c2cccc(C3NC(=O)NC3=O)c2)ccc1-c1ccc(OC)cc1,RMXHGQWIFGITET-UHFFFAOYSA-N
rxn:4:178641:223240,Fc1cc(-c2ccc(C3CCNC3)nc2)ccc1OC(F)F,BSJQVVJSFNHWGV-UHFFFAOYSA-N
rxn:4:178695:223312,Fc1c(-c2ccc(C3CNC3)cc2)ccc(OC(F)(F)F)c1Cl,NAEUDTBPCGXLGZ-UHFFFAOYSA-N
rxn:4:178746:223312,FC(F)=C(F)Oc1ccc(-c2ccc(C3CNC3)cc2)cc1,NEQYAHRXECVCPM-UHFFFAOYSA-N
rxn:4:179165:227227,Clc1cc(CC2CO2)ccc1-c1ccc(OCC2CC2)nc1,ZVCJVPMOVLUTCP-UHFFFAOYSA-N
rxn:4:179789:223312,C#CC1(c2ccc(-c3ccc(C4CNC4)cc3)cc2)CCC1,KTKOMLWDKGNLFX-UHFFFAOYSA-N
rxn:4:180901:223142,C#Cc1ccc(-c2ccc(C3CCCNC3)nc2)c(F)c1F,LOSDNLVNHKPWBJ-UHFFFAOYSA-N
rxn:4:181259:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(S(F)(F)(F)(F)F)cc1,BUVNMWXDJISHLA-UHFFFAOYSA-N
rxn:4:181672:223137,Cc1cc(C2CC2)ccc1-c1cncc(C2CCCNC2)c1,ZJVADCCAFHVZCS-UHFFFAOYSA-N
rxn:4:181937:223280,Fc1cc(-c2cnc(C3CCNC3)nc2)ccc1C1CCCC1,HXEHSXMKSCNSKY-UHFFFAOYSA-N
rxn:4:182478:223000,Fc1cc(-c2ccc(F)c(F)c2F)ccc1C1CCCNC1,HINSLZMTYNQVBM-UHFFFAOYSA-N
rxn:4:182872:223240,Cc1c(-c2ccc(C3CCNC3)nc2)ccc2c1OC(F)(F)O2,LUAXOWJSGSWYLZ-UHFFFAOYSA-N
rxn:4:192580:228755,COc1cncc(-c2cnc(OC3CCSC3)c(F)c2)c1C,XJKUNTUSHPZMMI-UHFFFAOYSA-N
rxn:4:192580:228882,COc1ncc(-c2cnc(OC3CCSC3)c(F)c2)c(C)n1,IZLQPSBLELNUHJ-UHFFFAOYSA-N
rxn:4:194020:224966,FC(F)Oc1ccc(-c2ccc(OCC3CCOCC3)cc2)c2[nH]ccc12,QYGFQTCKWUEUFS-UHFFFAOYSA-N
rxn:4:194945:223002,N#Cc1cc(Cl)ccc1-c1ccc(C2CCNCC2)cc1F,XXSXPNYZCCOHBX-UHFFFAOYSA-N
rxn:4:195023:222925,CCc1ncc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)o1,DGOQLJDBMVBUOW-UHFFFAOYSA-N
rxn:4:195034:223000,Fc1cc(-c2ccc(N=C=S)cc2)ccc1C1CCCNC1,BWERBOCAFNVENJ-UHFFFAOYSA-N
rxn:4:195146:222925,Fc1c(N=C=S)ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1Cl,FTYZSISNFVUEOG-UHFFFAOYSA-N
rxn:4:195146:223142,Fc1c(N=C=S)ccc(-c2ccc(C3CCCNC3)nc2)c1Cl,LMRZHYWMHQEHTR-UHFFFAOYSA-N
rxn:4:195216:223200,FC(F)(F)c1cncc(-c2ccc(C3CCNC3)cc2)c1Cl,MTVNOVVLKYNTPI-UHFFFAOYSA-N
rxn:4:195249:223002,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CCNCC3)cc2F)c1F,YCJJCVODJPRPPU-UHFFFAOYSA-N
rxn:4:195496:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(S(F)(F)(F)(F)F)nc1,PFMGATRYLVOUTF-UHFFFAOYSA-N
rxn:4:195621:223000,Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)c(F)c1,YZVSDCRJYQYYJP-UHFFFAOYSA-N
rxn:4:195792:225683,Cc1nc(C2CCCOC2)ccc1-c1cncc(C2CC2)c1Cl,GVISGOBJGFWZCS-UHFFFAOYSA-N
rxn:4:195846:223142,FC1(F)CC1c1cc(-c2ccc(C3CCCNC3)nc2)ccn1,LMTRDUZMGMQIBC-UHFFFAOYSA-N
rxn:4:196671:227278,N#CC1(c2ccc(-c3nccc(C4CCCC4)c3F)cn2)CC1,MYFOSADLVCNAOI-UHFFFAOYSA-N
rxn:4:196954:227783,CN1CCC(c2ccc(-c3cc([N+](=O)[O-])c(F)cc3F)cc2)C1,SGNVNFIYQKSROB-UHFFFAOYSA-N
rxn:4:202978:226047,O=C([O-])[CH+]C=Cc1ncc(-c2ccc(OC(F)(F)F)c(F)c2F)cn1,RCKPUSOTALCXQH-UHFFFAOYSA-N
rxn:4:203190:225569,COC(=O)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1C1CC1,ARVSWTCICNZVKW-UHFFFAOYSA-N
rxn:4:205024:226275,Cc1cc(-c2cc([N+](=O)[O-])ccc2C#N)cnc1OCC(C)C,VRIPNJXODGGBKX-UHFFFAOYSA-N
rxn:4:205037:225881,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C2CCOCC2)nc1F,APXYVRIBEUOWCV-UHFFFAOYSA-N
rxn:4:205312:226155,CCCc1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)c(Cl)n1,IAYHTTKJIPTQMG-UHFFFAOYSA-N
rxn:4:205660:228207,Fc1ncc(C2CC2)cc1-c1cnc(OC2CCSC2)nc1,VQNKEISTRHSGBJ-UHFFFAOYSA-N
rxn:4:208261:225813,C#Cc1ncc(-c2cc(F)c(OC(C)C)c(F)c2C)c(C)n1,XHLBZJMQSDZOEU-UHFFFAOYSA-N
rxn:4:208261:225932,C#Cc1ncc(-c2ccc(N(C)C)c(C(F)(F)F)c2)c(C)n1,UUWMZSBKWSYGEV-UHFFFAOYSA-N
rxn:4:208377:223000,Fc1cc(-c2cnn(C3CC3)c2Cl)ccc1C1CCCNC1,XEJZPKMIOXCMQJ-UHFFFAOYSA-N
rxn:4:209000:223200,Clc1nc(C2CCC2)ncc1-c1ccc(C2CCNC2)cc1,BTDFOBXJGVJBHA-UHFFFAOYSA-N
rxn:4:176844:223312,CC(F)(F)COc1ccc(-c2ccc(C3CNC3)cc2)cc1,RFLCFOVGCISZER-UHFFFAOYSA-N
rxn:4:179083:223312,Cc1cc(OC(F)F)c(F)cc1-c1ccc(C2CNC2)cc1,JMFCPNGUWPMUSK-UHFFFAOYSA-N
rxn:4:179626:223200,FC(F)(F)C1(c2ccc(-c3ccc(C4CCNC4)cc3)cc2)CC1,AGZPGWXECDQZIA-UHFFFAOYSA-N
rxn:4:180180:223312,C#CC1(c2ccc(-c3ccc(C4CNC4)cc3)cc2)CCCC1,INFXKWVQBPLUNB-UHFFFAOYSA-N
rxn:4:181147:223142,CSc1ccc(-c2ccc(C3CCCNC3)nc2)c(Cl)c1F,WWKNJCSQMAGGIV-UHFFFAOYSA-N
rxn:4:182526:223002,Cc1cc(Cl)c(F)cc1-c1ccc(C2CCNCC2)cc1F,GDDRYXLUBDLYFA-UHFFFAOYSA-N
rxn:4:182681:223200,FC1(F)Oc2ccc(-c3ccc(C4CCNC4)cc3)cc2O1,RVJRFNNOUSRUJQ-UHFFFAOYSA-N
rxn:4:182703:223200,O=C1OCCc2cc(-c3ccc(C4CCNC4)cc3)sc21,RYYGBMNJAKSGBI-UHFFFAOYSA-N
rxn:4:183276:223240,C1=CC2OC1c1ccc(-c3ccc(C4CCNC4)nc3)cc12,LOYSIOYPYFSBNS-UHFFFAOYSA-N
rxn:4:188709:226155,CC(=O)c1cc(-c2ccc(OCC3CC3)nc2)cc(C2CC2)c1,QMPKGRHKIOBZLX-UHFFFAOYSA-N
rxn:4:188746:228594,CCc1cc(-c2ccc(OCC3CC3(F)F)cn2)cc(C)n1,ZMTDVOMDUHDLMR-UHFFFAOYSA-N
rxn:4:191277:223130,OC1CN(Cc2ccc(-c3cnc(OC(F)F)c(Cl)c3)cc2)C1,YNKNSURWCUYRCP-UHFFFAOYSA-N
rxn:4:192580:228715,Cc1nc(C#N)ccc1-c1cnc(OC2CCSC2)c(F)c1,AWASFJVIQSDRHV-UHFFFAOYSA-N
rxn:4:192847:226155,CC(=O)c1cc(-c2ccc(OC3CCCC3)cn2)cc(C2CC2)c1,JRWOZCBBLOQEPF-UHFFFAOYSA-N
rxn:4:193244:226822,O=C(c1cc(F)cc(-c2cnc(-c3cccs3)nc2Cl)c1)N1CCOCC1,WPDCTUSPDNUCIX-UHFFFAOYSA-N
rxn:4:194579:223178,CONC(=O)c1ccc(F)c(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1,XDCZNSXGODRKDR-UHFFFAOYSA-N
rxn:4:194936:223002,C#Cc1ncc(-c2ccc(C3CCNCC3)cc2F)cc1Cl,BCOYRVWWLIDHKW-UHFFFAOYSA-N
rxn:4:195062:223005,S=C=Nc1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)c1,QPUPZAIQXVEHQZ-UHFFFAOYSA-N
rxn:4:195066:225456,CN1CCC(c2ccc(-c3ccc(N=C=S)cc3F)cc2)CC1,WXGSENPPWBFLEK-UHFFFAOYSA-N
rxn:4:195186:223200,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CCNC3)cc2)c1,KWMDQIGIZDJSKX-UHFFFAOYSA-N
rxn:4:195392:225683,C#Cc1cc(C)c(-c2ccc(C3CCCOC3)nc2C)cn1,KAQGDXZFQLZLCJ-UHFFFAOYSA-N
rxn:4:195600:223147,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CNCCO2)cc1,GFGOXBWBJHUWHR-UHFFFAOYSA-N
rxn:4:195820:223000,Fc1cc(-c2cnc(Cl)c(C3CC3)c2F)ccc1C1CCCNC1,REHCSNRZYLMFHF-UHFFFAOYSA-N
rxn:4:198142:222803,Fc1nc(Cl)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,KCAXBNHGUUPPAZ-UHFFFAOYSA-N
rxn:4:199169:223200,CN1CCc2c1ccc(-c1ccc(C3CCNC3)cc1)c2Cl,BMEUYJXQUVLVEE-UHFFFAOYSA-N
rxn:4:203100:226340,CCCOc1ncc(-c2cc(C#N)cc(C3CC3)c2Cl)c(C)n1,HLCQODQNKVVUPB-UHFFFAOYSA-N
rxn:4:203146:227861,c1nc2c(cc1-c1cnc(OCC3CCC3)cn1)CCCC2,AGFNDJVDSYYWCA-UHFFFAOYSA-N
rxn:4:203190:224692,O=[N+]([O-])c1cccc(-c2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)cc2)c1,VERUASHQPXYQQG-UHFFFAOYSA-N
rxn:4:203241:226134,Cc1c(-c2cnc(-c3cccc(OC(F)(F)F)c3)cn2)cc(C#N)cc1C1CC1,RUVAJAQEGWHXJK-UHFFFAOYSA-N
rxn:4:203292:226336,N#Cc1cc(-c2cnc(OCC3CCOC3)cn2)c(Cl)cc1C1CC1,DPKPSKNTSRHVSJ-UHFFFAOYSA-N
rxn:4:204990:226235,CCCCOc1ccc(-c2c(F)c(C#N)c(F)c(F)c2C#N)c(C)n1,DPJAHPBSGZNRMI-UHFFFAOYSA-N
rxn:4:205036:226572,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1cnc(OC2CCCC2)nc1,DGYFOOHECYHKLX-UHFFFAOYSA-N
rxn:4:205040:225881,N#Cc1cc([N+](=O)[O-])cc(Cl)c1-c1ccc(C2CCOCC2)nc1F,LKISTFRMOISJCC-UHFFFAOYSA-N
rxn:4:205660:228214,Fc1cc(C2CC2)ncc1-c1cnc(OC2CCSC2)nc1,RZBXDMAXHDGNNQ-UHFFFAOYSA-N
rxn:4:207613:223200,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)nc2c1,ZXLSXDUSIWULOC-UHFFFAOYSA-N
rxn:4:210435:225852,Cc1cc2c([N+](=O)[O-])cc(-c3cnc(C4CCCCC4)nc3Cl)cc2[nH]1,CARYPEKHILAREL-UHFFFAOYSA-N
rxn:4:217223:225183,N#Cc1cc(-c2ccc(OC3CCCCC3)nc2F)c2nc[nH]c2c1,OLFXZQJYXYWHMP-UHFFFAOYSA-N
rxn:4:217340:225767,CC(C)COc1c(F)cc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)cc1F,BNVBGIQXLMOXPE-UHFFFAOYSA-N
rxn:4:222389:174415,CCc1cc(OCc2ccc(OC)cc2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,QKMONYBKAAUIRO-UHFFFAOYSA-N
rxn:4:223062:195844,Fc1cc(C2CCNCC2)ncc1-c1nc(C2CC(F)(F)C2)cs1,WLMYWNLZMWFHLN-UHFFFAOYSA-N
rxn:4:176811:223312,COC(=O)c1ccc(-c2ccc(C3CNC3)cc2)c(OC)c1,IBHWNNKVKBRJRM-UHFFFAOYSA-N
rxn:4:179165:226508,Fc1nc(OCC2CC2)ccc1-c1ccc(CC2CO2)cc1Cl,POSLEAVLUFALHD-UHFFFAOYSA-N
rxn:4:180959:223139,Fc1cc(C(F)F)ccc1-c1ccc(C2CCNCC2)nc1,QMFHAXGKDQJQGJ-UHFFFAOYSA-N
rxn:4:180994:223130,OC1CN(Cc2ccc(-c3ccc(C(F)F)c(Cl)c3F)cc2)C1,ZCINYYYALZUREG-UHFFFAOYSA-N
rxn:4:181672:223147,Cc1cc(C2CC2)ccc1-c1ccc(C2CNCCO2)cc1,AFEBXAZJBUVNTO-UHFFFAOYSA-N
rxn:4:181849:223200,C[Si](C)(C)c1cc(-c2ccc(C3CCNC3)cc2)ccc1F,NVOXDBJNCNARKQ-UHFFFAOYSA-N
rxn:4:182872:223200,Cc1c(-c2ccc(C3CCNC3)cc2)ccc2c1OC(F)(F)O2,CZFNZGAYRIYXLM-UHFFFAOYSA-N
rxn:4:183279:223240,FC1(F)C2Cc3ccc(-c4ccc(C5CCNC5)nc4)cc3C21,JPPZUWKTFYDUKD-UHFFFAOYSA-N
rxn:4:188221:224014,O=C(C[N+](=O)[O-])c1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2Cl)cc1,XFXVBQJCSAEIMG-UHFFFAOYSA-N
rxn:4:188746:225132,Cc1nccn1-c1ccc(-c2ccc(OCC3CC3(F)F)cn2)c(C#N)c1,YYLQCKMPSCISFY-UHFFFAOYSA-N
rxn:4:191604:223200,FC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)c(N=C=S)c1,JGRDNUFSEHREOJ-UHFFFAOYSA-N
rxn:4:191834:225881,COc1c(-c2ccc(C3CCOCC3)nc2F)cc([N+](=O)[O-])c(F)c1F,CMCGLMLDWCJIIU-UHFFFAOYSA-N
rxn:4:192056:223240,N#Cc1cc(C2CC2)ccc1-c1ccc(C2CCNC2)nc1,XRQIZQPRSLMLJI-UHFFFAOYSA-N
rxn:4:194935:222803,C#Cc1cc(Cl)c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,NXCMWRLXUIERLZ-UHFFFAOYSA-N
rxn:4:195187:223166,O=[N+]([O-])c1ccc(F)c(-c2ccc(N3CCNCC3)nc2)c1F,SVIIUSTZEDMSAY-UHFFFAOYSA-N
rxn:4:195249:223004,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CCNCC3)c(F)c2)c1F,KFEDCNYKVHFBJM-UHFFFAOYSA-N
rxn:4:195331:223002,CSc1cc(Cl)ncc1-c1ccc(C2CCNCC2)cc1F,HFOIPMCSAACOCX-UHFFFAOYSA-N
rxn:4:195487:226444,Cc1cc(F)c(-c2ccc(C3CCCO3)nc2C)cc1C#N,UQADVMHYEJFEGT-UHFFFAOYSA-N
rxn:4:195600:223199,Cc1cc(N=C=S)c(F)cc1-c1cccc(C2CCNC2)c1,IUHMUVQVQRPZDK-UHFFFAOYSA-N
rxn:4:195624:223147,Cc1cc(-c2ccc(C3CNCCO3)cc2)cc([N+](=O)[O-])c1F,RFQDBVPKLPKOMS-UHFFFAOYSA-N
rxn:4:195642:222987,Cc1cc(F)c(-c2ccc(C3CCNCC3)nc2C)cc1[N+](=O)[O-],AYZNNPTUDGLGSA-UHFFFAOYSA-N
rxn:4:195792:223002,Fc1cc(C2CCNCC2)ccc1-c1cncc(C2CC2)c1Cl,LGDRIAIDLVXCDE-UHFFFAOYSA-N
rxn:4:196227:226293,Cc1c(-c2ccc(OCC3CC3)c(Cl)c2)cncc1C1CC1,CUKBNFRIXKSKBD-UHFFFAOYSA-N
rxn:4:196952:227782,CN1CCCC1c1ccc(-c2ccc(C(F)(F)F)nc2F)cc1,NBMAMGWEBHAFKS-UHFFFAOYSA-N
rxn:4:196954:228136,CN1CCC(c2ccc(-c3ccc(OC4CC4)nc3)cc2)C1,INBDWUBVQCZNDR-UHFFFAOYSA-N
rxn:4:197479:223312,CC12CC(c3ncc(-c4ccc(C5CNC5)cc4)s3)(C1)C2,OAKSMMXMODOVBN-UHFFFAOYSA-N
rxn:4:198158:222803,Fc1cc(Cl)ncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,AQWMVLRGVAOKDI-UHFFFAOYSA-N
rxn:4:202860:223312,FC(F)(F)COc1ncc(-c2ccc(C3CNC3)cc2)cn1,NWSBWYKGPRMOIM-UHFFFAOYSA-N
rxn:4:203146:227961,Cc1nc(C2CC2)ccc1-c1cnc(OCC2CCC2)cn1,NXVFOODUSBHKOT-UHFFFAOYSA-N
rxn:4:203154:226155,CC(=O)c1cc(-c2cnc(OCC3CCC3)nc2)cc(C2CC2)c1,SRTNMNVXXLDZJV-UHFFFAOYSA-N
rxn:4:203190:223244,COc1cc2[nH]ncc2cc1-c1cnc(OCC2CC(F)(F)C2)nc1,SGYVYVNRCSGBTP-UHFFFAOYSA-N
rxn:4:205660:227628,Clc1nc(C2CCC2)ncc1-c1cnc(OC2CCSC2)nc1,IPDMBEWXCJSMPG-UHFFFAOYSA-N
rxn:4:205660:227961,Cc1nc(C2CC2)ccc1-c1cnc(OC2CCSC2)nc1,NCDGLNCHTZLHAN-UHFFFAOYSA-N
rxn:4:208339:223064,Fc1nc(C2CCNCC2)ccc1-c1cnc(S(F)(F)(F)(F)F)nc1,BGPKVUSVHQGYEK-UHFFFAOYSA-N
rxn:4:209479:227793,O=[N+]([O-])c1cc(-c2cnc(C3CCCC3)nc2Cl)c(F)cc1Cl,HDUXIUKTYGGGFL-UHFFFAOYSA-N
rxn:4:209969:225881,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)nc2F)c2cc[nH]c2c1,AIYJMDTVFIKSKI-UHFFFAOYSA-N
rxn:4:210479:225674,Fc1cc(C2CCCCC2)ncc1-c1ccc2c(C3CC3)n[nH]c2c1,IRZNBIXEEIYVKJ-UHFFFAOYSA-N
rxn:4:211429:223200,Clc1c(-c2ccc(C3CCNC3)cc2)nc2n1CC=CO2,DAJFFGNBFJMOFF-UHFFFAOYSA-N
rxn:4:217340:225766,CCCOc1c(F)cc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)c(C)c1F,BDRWUQZBKGREAN-UHFFFAOYSA-N
rxn:4:217550:225677,Cc1nc2c([N+](=O)[O-])cc(-c3ccc(C4CCCCC4)nc3F)cc2[nH]1,UHPFYGAMMWZVMV-UHFFFAOYSA-N
rxn:4:218126:222704,FC(F)(F)c1cc(-c2cnc(Cl)c3cn[nH]c23)ccc1C1CCNCC1,VDWOONYYJVKEQM-UHFFFAOYSA-N
rxn:4:227020:185754,FC(F)(F)C(Oc1cncc(-c2cncc(C#CC3CC3)c2)c1)C(F)(F)F,ZXMIVSJHKYJPMX-UHFFFAOYSA-N
rxn:4:175957:223386,CCc1cc(-c2cc(/C=N/O)ccc2Cl)ccc1-c1ccc(C(=O)OC)cc1,ZFHGPKCFCFLZJP-AFUMVMLFSA-N
rxn:4:176378:223312,FC(F)(F)COc1cccc(-c2ccc(C3CNC3)cc2)c1,FHKXFZACMMJZKX-UHFFFAOYSA-N
rxn:4:176391:223312,FC(F)(F)COc1ccc(-c2ccc(C3CNC3)cc2)c(Cl)c1,PGKDBUVFOCOSOP-UHFFFAOYSA-N
rxn:4:176397:223400,CNCc1cccc(-c2ccc(OCC(F)F)c(F)c2Cl)c1,XPAKCYQXIWYEFZ-UHFFFAOYSA-N
rxn:4:177093:223311,C#Cc1cc(OC(C)C)ccc1-c1cccc(C2CNC2)c1,JLRKBKNFLWIAEM-UHFFFAOYSA-N
rxn:4:177675:223199,Fc1cc(-c2ccc(-c3cccc(C4CCNC4)c3)cc2)ccc1OC(F)(F)F,SNWXQVOXJUQYDF-UHFFFAOYSA-N
rxn:4:177682:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4cccc(OC(F)(F)F)c4)cc3F)cc2)N1,YZUNEJALDIGQOW-UHFFFAOYSA-N
rxn:4:178683:223240,Fc1cc(-c2ccc(C3CCNC3)nc2)c(F)cc1OC(F)F,GOZSPAJWLHAYRO-UHFFFAOYSA-N
rxn:4:178775:223360,CNCc1cccc(-c2ccc(C(=O)C(F)(F)F)c(F)c2Cl)c1F,XETGVSPZGMNKBU-UHFFFAOYSA-N
rxn:4:179128:223240,COc1cc(-c2ccc(C3CCNC3)nc2)cc(F)c1C(F)(F)F,IOQRUEMKSYHIED-UHFFFAOYSA-N
rxn:4:181721:223199,FC1(F)CC(c2ccc(-c3cccc(C4CCNC4)c3)cc2)C1,YUOWWIXVPNVZGS-UHFFFAOYSA-N
rxn:4:182525:223062,Cc1c(F)ccc(-c2cnc(C3CCNCC3)cc2F)c1Cl,DFZYKLYHXUSWKX-UHFFFAOYSA-N
rxn:4:182765:223312,FC1(F)Oc2cc(-c3ccc(C4CNC4)cc3)ccc2C1(F)F,LNEPHPZCJPFHNT-UHFFFAOYSA-N
rxn:4:188380:226155,CCOC(=O)c1ccc(-c2cc(C(C)=O)cc(C3CC3)c2)c(Cl)n1,DXRLPGRZWIGQBJ-UHFFFAOYSA-N
rxn:4:189248:224259,CN(C)CCc1ccc(F)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1,QEGRUGZANNZLLT-UHFFFAOYSA-N
rxn:4:191719:223200,O=[N+]([O-])C=Cc1ccc(-c2ccc(C3CCNC3)cc2)cc1,GOXFKLVSHQHOAR-UHFFFAOYSA-N
rxn:4:191817:223241,Cc1cc(-c2cncc(C3CCNC3)c2)cnc1OC(F)(F)F,OGCXQWSIIRCUSA-UHFFFAOYSA-N
rxn:4:191828:223242,COc1nc(C(F)(F)F)ccc1-c1ccnc(C2CCNC2)c1,IPLQXNONNNGTOF-UHFFFAOYSA-N
rxn:4:191834:223312,COc1c(-c2ccc(C3CNC3)cc2)cc([N+](=O)[O-])c(F)c1F,VHTVPTPTQPIPSK-UHFFFAOYSA-N
rxn:4:191895:223002,Fc1cc(C2CCNCC2)ccc1-c1cncc(OC2CC2)c1,QXKOAABMVANERE-UHFFFAOYSA-N
rxn:4:194080:223200,FC(F)Oc1ccc2ncc(-c3ccc(C4CCNC4)cc3)c(Cl)c2c1,JJIHUWIXIGGAOL-UHFFFAOYSA-N
rxn:4:195157:223004,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)c(F)c2)cc(Cl)c1F,KERADMMLMGZCAD-UHFFFAOYSA-N
rxn:4:195172:227413,O=[N+]([O-])c1cc(-c2cnc(C3CCC3)cc2F)cc(F)c1Cl,TYBDHTYTYPSZTN-UHFFFAOYSA-N
rxn:4:195190:223200,O=[N+]([O-])c1c(F)ccc(-c2ccc(C3CCNC3)cc2)c1F,NPUUXAFZGWMOPU-UHFFFAOYSA-N
rxn:4:196289:223200,CC1(c2ccc(-c3ccc(C4CCNC4)cc3)nc2)CC1(F)F,NGEREELAGWFNTD-UHFFFAOYSA-N
rxn:4:196868:226155,CC(=O)c1cc(-c2ccc(C3CCCCO3)nc2F)cc(C2CC2)c1,ONOHMICCOBJAKR-UHFFFAOYSA-N
rxn:4:202964:226340,CCCOc1cnc(-c2cc(C#N)cc(C3CC3)c2Cl)nc1,VTNZPFMYDKLHFU-UHFFFAOYSA-N
rxn:4:202978:226886,O=C([O-])[CH+]C=Cc1ncc(-c2cc(F)c(C(F)(F)F)c(F)c2)cn1,XXUIFUUWPYBYCG-UHFFFAOYSA-N
rxn:4:203006:227484,FC(F)COc1cccc(-c2cnc(OCC3CC3)cn2)c1,LTKAYUMCWUYVND-UHFFFAOYSA-N
rxn:4:205660:227972,c1ncc(C2CCC2)cc1-c1cnc(OC2CCSC2)nc1,XSFMLSRNXVUKHG-UHFFFAOYSA-N
rxn:4:205660:228330,CCOc1cc(-c2cnc(OC3CCSC3)nc2)cnc1F,JILFMJGUMDGXPX-UHFFFAOYSA-N
rxn:4:208997:223200,CC1(c2ncc(-c3ccc(C4CCNC4)cc3)c(Cl)n2)CC1,DEZJCYCKKLOHDH-UHFFFAOYSA-N
rxn:4:216392:224705,CC1CCN(c2ccc(-c3cnc(Cl)nc3C#N)c(F)c2F)CC1,CVXJARSEWAIZLQ-UHFFFAOYSA-N
rxn:4:217257:225197,N#Cc1ncc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)c2cc[nH]c12,HYWVWVCOYSJVHQ-UHFFFAOYSA-N
rxn:4:217340:225336,O=[N+]([O-])c1cc(-c2ccc(COCC(F)(F)F)cc2F)c2[nH]cnc2c1,GGKVGMIHFNWGBD-UHFFFAOYSA-N
rxn:4:217340:225869,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)c2[nH]cnc2c1,GCYDWFWFNJKWFM-UHFFFAOYSA-N
rxn:4:179072:223240,COc1cc(-c2ccc(C3CCNC3)nc2)ccc1C(F)F,ATTIDFATLCKLKA-UHFFFAOYSA-N
rxn:4:180528:223241,c1cc(-c2cncc(C3CCNC3)c2)ccc1OC1CCC2(CC1)OCCO2,AGRFXESYTWGMIJ-UHFFFAOYSA-N
rxn:4:181003:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)ccc1C(F)(F)F,YITWFMMSDDSGMH-UHFFFAOYSA-N
rxn:4:181705:223169,FC1CC(c2cccc(-c3cnc(C4CCNCC4)nc3)c2)C1,YOEDYLQEKLBIIB-UHFFFAOYSA-N
rxn:4:181881:227793,O=C1CCC(c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3F)cc2)C1,XOGRDLBCTBOARK-UHFFFAOYSA-N
rxn:4:182087:223311,Cc1cc(C2CCOCC2)ccc1-c1cccc(C2CNC2)c1,IUOLRXALPBNZHF-UHFFFAOYSA-N
rxn:4:182478:223004,Fc1cc(-c2ccc(F)c(F)c2F)ccc1C1CCNCC1,FLCVPKCVWGBOLJ-UHFFFAOYSA-N
rxn:4:182894:223002,Fc1cc(C2CCNCC2)ccc1-c1cc2c(cc1Cl)CCC2,ZKBWMPKNPWRFTG-UHFFFAOYSA-N
rxn:4:183050:223200,Cc1c(-c2ccc(C3CCNC3)cc2)ccc2c1OCCO2,UMOCWAIQUFUACP-UHFFFAOYSA-N
rxn:4:185741:223312,FC(F)(F)C(F)(F)COc1ccc(-c2ccc(C3CNC3)cc2)cn1,BOAOVTYHXYCXKQ-UHFFFAOYSA-N
rxn:4:186742:226822,O=C(c1cc(OC(F)(F)F)cc(-c2cnc(-c3cccs3)nc2Cl)c1)N1CCCC1,JJOYDCZOFIRTTL-UHFFFAOYSA-N
rxn:4:188746:228570,FC1(F)CC1COc1ccc(-c2cncc(C3CC3)c2)nc1,HTDZWBQUFZOLFM-UHFFFAOYSA-N
rxn:4:191376:223240,C#Cc1cc(-c2ccc(C3CCNC3)nc2)cc([N+](=O)[O-])c1,SHFPHNIBDPGFMD-UHFFFAOYSA-N
rxn:4:191936:223312,CO/N=C/c1cc(-c2ccc(C3CNC3)cc2)cc(F)c1F,DLQDIQIGSYCICN-UFFVCSGVSA-N
rxn:4:192058:226508,N#Cc1cc(-c2ccc(OCC3CC3)nc2F)ccc1C1CC1,LSEIHLAZXYNWGJ-UHFFFAOYSA-N
rxn:4:194871:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C(F)F)s1,SQIQFNXENDOFTQ-UHFFFAOYSA-N
rxn:4:195158:223200,O=[N+]([O-])c1c(Cl)ccc(-c2ccc(C3CCNC3)cc2)c1F,DUTHMJNRAGMVLP-UHFFFAOYSA-N
rxn:4:195161:223200,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCNC3)cc2)c1,MHCALOSCJYNKFW-UHFFFAOYSA-N
rxn:4:195172:226946,CN1CCc2cc(-c3cc(F)c(Cl)c([N+](=O)[O-])c3)ccc2C1,IZWHVLUPSOBMDD-UHFFFAOYSA-N
rxn:4:195407:222803,FC(F)(F)c1cc(-c2cnc(C3COC3)s2)ccc1C1CCNC1,ULXQDKVPWFTULX-UHFFFAOYSA-N
rxn:4:195598:226331,Cc1c(N=C=S)ccc(-c2ccc(C3(C#N)CC3)cc2F)c1Cl,QOZXYJSQDADCQJ-UHFFFAOYSA-N
rxn:4:195607:222985,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)nc1C,YNQVZRFPMBKVOV-UHFFFAOYSA-N
rxn:4:195704:223144,Cc1c(F)c(-c2ccc(N3CCC(O)C3)cc2)cc([N+](=O)[O-])c1F,FZVVCRQSMVNOAE-UHFFFAOYSA-N
rxn:4:195790:223000,Fc1cc(-c2cc(C3CC3)c(Cl)cn2)ccc1C1CCCNC1,CCTSQAKFSCICGO-UHFFFAOYSA-N
rxn:4:195792:225982,Fc1cc(N2CCOCC2)ncc1-c1cncc(C2CC2)c1Cl,IYWRTLACERUPQF-UHFFFAOYSA-N
rxn:4:195858:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C2CC2(F)F)cn1,NFUZDEQNILJYTC-UHFFFAOYSA-N
rxn:4:196849:223312,c1cc(C2CNC2)ccc1-c1cncc(C2CCCOC2)c1,UVYWWRKDUUMHSC-UHFFFAOYSA-N
rxn:4:196867:228842,Cc1c(-c2ccc(C3CCOCC3)nc2F)ccc(Cl)c1F,VKMIMWWYTNLOLS-UHFFFAOYSA-N
rxn:4:196954:227782,CN1CCC(c2ccc(-c3ccc(C(F)(F)F)nc3F)cc2)C1,IKMPAJMIJRSLST-UHFFFAOYSA-N
rxn:4:197187:223200,FS(F)(F)(F)(F)c1cc(-c2ccc(C3CCNC3)cc2)c2ocnc2c1,SYWJZNCNTPPCAM-UHFFFAOYSA-N
rxn:4:198850:223200,FC1(F)CCCc2nc(-c3ccc(C4CCNC4)cc3)sc21,YZQDZNFPUPYZGT-UHFFFAOYSA-N
rxn:4:201287:225244,CC(F)(F)COc1ncc(-c2cncc(-c3cccc(F)c3F)c2)cc1C#N,NDJFEUOJNFRSIV-UHFFFAOYSA-N
rxn:4:202968:226155,CCCOc1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,HKMKNAPYPWLJRQ-UHFFFAOYSA-N
rxn:4:203241:222991,OC1CCCN(c2ccc(-c3cnc(-c4cccc(OC(F)(F)F)c4)cn3)cc2)C1,MEHJMNICUXCIES-UHFFFAOYSA-N
rxn:4:205660:227930,c1cc(OC2CC2)cc(-c2cnc(OC3CCSC3)nc2)c1,BZWSZRLCPGCBJY-UHFFFAOYSA-N
rxn:4:205660:228230,Clc1cc(-c2cnc(OC3CCSC3)nc2)cnc1C1CC1,DJULEAUGDLHPHW-UHFFFAOYSA-N
rxn:4:206044:228112,COc1ccc(C#N)cc1-c1cnc(OC2CCCC2)nc1,LSCNTBUTPXWOKS-UHFFFAOYSA-N
rxn:4:208042:222699,N#Cc1nc(Cl)ccc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,MRKBJAPWRDKGDI-UHFFFAOYSA-N
rxn:4:208339:223312,FS(F)(F)(F)(F)c1ncc(-c2ccc(C3CNC3)cc2)cn1,RKQUFJYYIJPHFB-UHFFFAOYSA-N
rxn:4:208994:225881,Cc1nc(C2CC2)ncc1-c1ccc(C2CCOCC2)nc1F,YLHQRUWVAWSPMR-UHFFFAOYSA-N
rxn:4:210587:225674,CC(=O)c1c[nH]c2c(-c3cnc(C4CCCCC4)cc3F)cnc(C)c12,YASIZFLTLWAGQY-UHFFFAOYSA-N
rxn:4:217259:225197,N#Cc1cc2nc[nH]c2cc1-c1cc(F)c(OC2CCCC2)c(Cl)c1,QHKJLSVXBMMHJG-UHFFFAOYSA-N
rxn:4:224061:207037,CCCC1CCC(c2ccc(-c3cccc(CN4CCCN(C)CC4)c3)c(F)c2)CC1,DSWOJLRRVRDSDE-UHFFFAOYSA-N
rxn:4:179033:223240,Cc1cc(OC(F)F)ccc1-c1ccc(C2CCNC2)nc1,AKTQTXUWRGIRTF-UHFFFAOYSA-N
rxn:4:179544:223240,Clc1ccc(CC2CC2)cc1-c1ccc(C2CCNC2)nc1,AKEXOZTXGCCWLP-UHFFFAOYSA-N
rxn:4:179632:223200,FC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)c(C2CC2)c1,FEHPUKOZWXJVRD-UHFFFAOYSA-N
rxn:4:180952:223142,FC(F)(F)c1cccc(-c2ccc(C3CCCNC3)nc2)c1,GUZPAIISQWHMFB-UHFFFAOYSA-N
rxn:4:180953:223004,Fc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C1CCNCC1,XHJIOWMBNFOTFG-UHFFFAOYSA-N
rxn:4:181026:223312,Fc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CNC2)cc1,DDIGGRMHFQJREM-UHFFFAOYSA-N
rxn:4:181039:223062,Fc1cc(C2CCNCC2)ncc1-c1c(F)cc(C(F)(F)F)cc1F,RGLJOMSYXOVVIM-UHFFFAOYSA-N
rxn:4:181892:223200,Cc1cc(C2OCCO2)ccc1-c1ccc(C2CCNC2)cc1,XRBBDRJDFRKWRF-UHFFFAOYSA-N
rxn:4:182035:223312,Cc1cc(C2OCCO2)c(C)cc1-c1ccc(C2CNC2)cc1,CCORPEDOTVREGZ-UHFFFAOYSA-N
rxn:4:182039:223312,Cc1cc(C2(C)OCCO2)ccc1-c1ccc(C2CNC2)cc1,KLMHDPDWPDLPOT-UHFFFAOYSA-N
rxn:4:182104:222405,O=C1NC(=O)C(c2cccc(-c3ccc(C4=CCC5(CC4)OCCO5)cc3)c2)N1,RYWRQYLXBUXCCD-UHFFFAOYSA-N
rxn:4:182344:223311,c1cc(-c2ccc(C3CC4CCC3C4)cc2)cc(C2CNC2)c1,HNZQRRMYOKWROT-UHFFFAOYSA-N
rxn:4:188746:228685,COCc1cncc(-c2ccc(OCC3CC3(F)F)cn2)c1,ZHJOGGTXYXKVCQ-UHFFFAOYSA-N
rxn:4:191302:223200,Fc1cc(OC(F)F)cnc1-c1ccc(C2CCNC2)cc1,XMDDJZPFHYESTG-UHFFFAOYSA-N
rxn:4:191637:223200,O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CCNC2)cc1,JDVZUXMRWQADJJ-UHFFFAOYSA-N
rxn:4:191756:226508,CC(=O)c1ccc(C#N)c(-c2ccc(OCC3CC3)nc2F)c1,AMVRSGWUAMAUJB-UHFFFAOYSA-N
rxn:4:192199:223200,CC(=Cc1ccc(-c2ccc(C3CCNC3)cc2)cc1)[N+](=O)[O-],YCHMLSZSBVXDAR-UHFFFAOYSA-N
rxn:4:195065:225923,Fc1ccc(N=C=S)cc1-c1cnc(OC2CCCC2)nc1Cl,BQZKIIKOGOBEKH-UHFFFAOYSA-N
rxn:4:195151:223005,Fc1c(N=C=S)ccc(-c2ccc(C3CCNCC3)c(Cl)c2)c1F,YZKAGGINBKVKLV-UHFFFAOYSA-N
rxn:4:195264:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C2CC2)s1,AYLNWCALXUIUHA-UHFFFAOYSA-N
rxn:4:195632:226432,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCC3)nc2F)c1Cl,PURWHDFSCDCJJZ-UHFFFAOYSA-N
rxn:4:196868:227311,CCC(C)c1cc(F)c(-c2ccc(C3CCCCO3)nc2F)cn1,IRSRCSLXAGMKAL-UHFFFAOYSA-N
rxn:4:198286:222803,Cc1nc(Cl)c(F)cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,NGBSEAJJPZLHQJ-UHFFFAOYSA-N
rxn:4:201294:228221,N#Cc1cc(-c2cc(F)nc(C3CC3)c2)cnc1OCC1CC1,CKLAGVGNWVAOEY-UHFFFAOYSA-N
rxn:4:202969:224259,NOCc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,YIUCICKZFAABAE-UHFFFAOYSA-N
rxn:4:205037:225183,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(OC2CCCCC2)nc1F,AEWCCAPGLRNTOU-UHFFFAOYSA-N
rxn:4:208261:223002,C#Cc1ncc(-c2ccc(C3CCNCC3)cc2F)c(C)n1,SORLXTKUADXIOW-UHFFFAOYSA-N
rxn:4:209245:223200,c1cc(C2CCNC2)ccc1-c1cncc(N2CCSC2)c1,ZSKWAYGIXIDCSN-UHFFFAOYSA-N
rxn:4:209622:228224,Cc1cc(C#N)cc(-c2cnc(C3=CCCCC3)cn2)c1Cl,DVVVCWSKMMKCEM-UHFFFAOYSA-N
rxn:4:209929:225201,N#Cc1cc(-c2ccc(OC3CCCC3)c(F)c2F)cc2[nH]ccc12,IPKCGHLQGZIEQQ-UHFFFAOYSA-N
rxn:4:215320:225923,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(OC2CCCC2)nc1Cl,ZDAWZHOIUKHBMS-UHFFFAOYSA-N
rxn:4:217545:225677,Cc1c([N+](=O)[O-])cc(-c2ccc(C3CCCCC3)nc2F)c2[nH]ncc12,ZKZPLOATYMLFFH-UHFFFAOYSA-N
rxn:4:225835:185753,Fc1ccc(-c2ncc(-c3cnccc3OC(C(F)(F)F)C(F)(F)F)cn2)cc1,YCFSIMRGASHHCU-UHFFFAOYSA-N
rxn:4:176372:223279,FC(F)COc1cccc(-c2cnc(C3CCCN3)nc2)c1Cl,LJHQAFJABOYIOE-UHFFFAOYSA-N
rxn:4:176386:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)cc(OCC(F)F)c1F,OICVNGLYLFOVAM-UHFFFAOYSA-N
rxn:4:179701:226572,CCc1cc(-c2cnc(OC3CCCC3)nc2)ccc1C(C)=O,QYAHBKWPBAEOJD-UHFFFAOYSA-N
rxn:4:180082:223241,c1cc(-c2cncc(C3CCNC3)c2)ccc1SC1CCCC1,PHBSFXTZHWVRJG-UHFFFAOYSA-N
rxn:4:180084:227501,CC(=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)cc(C(C)C)c1,OKDCSMPVHHQRDT-UHFFFAOYSA-N
rxn:4:180209:223311,Fc1cc(OC2CCCCO2)ccc1-c1cccc(C2CNC2)c1,AYWPAKVRYBQAAI-UHFFFAOYSA-N
rxn:4:181147:223139,CSc1ccc(-c2ccc(C3CCNCC3)nc2)c(Cl)c1F,YZBJYWHTHQQWDD-UHFFFAOYSA-N
rxn:4:181195:225923,Fc1ccc(C2CO2)cc1-c1cnc(OC2CCCC2)nc1Cl,CVMWGXGRDZBDKW-UHFFFAOYSA-N
rxn:4:181709:223200,CC1(c2ccc(F)c(-c3ccc(C4CCNC4)cc3)c2)CC1,MWHCNYPRTKYSEC-UHFFFAOYSA-N
rxn:4:182084:222405,Cc1cc(F)cc(C)c1-c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)c(F)c1,FHZBHOUFLZEONQ-UHFFFAOYSA-N
rxn:4:183279:223312,FC1(F)C2Cc3ccc(-c4ccc(C5CNC5)cc4)cc3C21,JVDGLRLCEJRGMY-UHFFFAOYSA-N
rxn:4:188147:223311,FC(F)(F)COc1ncc(-c2cccc(C3CNC3)c2)cc1Cl,QXATYGRGTYHRIF-UHFFFAOYSA-N
rxn:4:191246:223005,CCOc1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)s1,QZCLGQAJURXALW-UHFFFAOYSA-N
rxn:4:193076:228216,Fc1cc(-c2cncc(C3CC3)c2Cl)cnc1OC1CCOCC1,VLAGSPUCEURVRZ-UHFFFAOYSA-N
rxn:4:195014:225923,N#Cc1c(F)c(F)c(F)c(-c2cnc(OC3CCCC3)nc2Cl)c1F,JUVGPBLRCOCFDT-UHFFFAOYSA-N
rxn:4:195066:223109,CC(NC1CC1)c1ccc(-c2ccc(N=C=S)cc2F)cc1,KMFFHLLWVPNDGA-UHFFFAOYSA-N
rxn:4:195123:222441,CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nccc(C(F)F)c3F)cc2)cc1,VHJASLGQAQQXBJ-UHFFFAOYSA-N
rxn:4:195161:227419,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCC3)nc2F)c1,CBHNVGSDLNSZNR-UHFFFAOYSA-N
rxn:4:195174:223200,O=[N+]([O-])c1ccc(F)c(-c2ccc(C3CCNC3)cc2)c1Cl,NWGWACZZMRAMFC-UHFFFAOYSA-N
rxn:4:195642:223142,Cc1cc(F)c(-c2ccc(C3CCCNC3)nc2)cc1[N+](=O)[O-],GYGRJYVNPLFWSH-UHFFFAOYSA-N
rxn:4:195643:226211,CC(=O)N1CCc2cc(-c3cc([N+](=O)[O-])cc(C)c3F)ccc21,ICSGRXUUXYTAOV-UHFFFAOYSA-N
rxn:4:196227:226489,Cc1c(-c2ccc(OCCCF)c(Cl)c2)cncc1C1CC1,KKFSVAUWAUGWSW-UHFFFAOYSA-N
rxn:4:196673:228223,Fc1nc(C2CCCC2)ccc1-c1ccc(C2CC2)nc1F,JPVNCTDYTBLOJR-UHFFFAOYSA-N
rxn:4:196762:226155,CC(=O)c1cc(-c2ccc(C3COCCC3=O)nc2)cc(C2CC2)c1,KVMOBHUPDZHOEP-UHFFFAOYSA-N
rxn:4:196810:222857,COc1cc(-c2ccc(-c3ccc(F)cc3C)nc2)cc(C2CCNCC2)c1,MKGJHLVXELRCRI-UHFFFAOYSA-N
rxn:4:198141:222803,Fc1cncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c1,GCTQYSIITBOZTN-UHFFFAOYSA-N
rxn:4:198230:222803,Cc1cc(Cl)ncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,XMMJMZGGTQKRSD-UHFFFAOYSA-N
rxn:4:202963:226155,CCCOc1cnc(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,ARWMOFZYQLFYFR-UHFFFAOYSA-N
rxn:4:205615:227793,CCC(C)c1ncc(-c2cc([N+](=O)[O-])c(Cl)cc2F)c(Cl)n1,UWDHWJBAWCCQRR-UHFFFAOYSA-N
rxn:4:206501:228021,CC(=O)c1cc(C)cc(-c2cnc(OC3CCCC3)nc2C)c1,WEMRMKMITVDYHA-UHFFFAOYSA-N
rxn:4:209948:224846,CCC1CCC(c2ccc(-c3cc(C#N)cc4cc[nH]c34)cc2)CC1,KBTJFTMLUGJMAQ-UHFFFAOYSA-N
rxn:4:217545:225223,Cc1c([N+](=O)[O-])cc(-c2cnc(N3CCC(C)CC3)cc2F)c2[nH]ncc12,PYHNOTUGQUCFDT-UHFFFAOYSA-N
rxn:4:217545:225469,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCCC(C)C3)cc2)c2[nH]ncc12,ARKSUYCPMBWYJE-UHFFFAOYSA-N
rxn:4:218183:225201,Fc1c(OC2CCCC2)ccc(-c2cc3nn[nH]c3c(F)c2F)c1F,LJXJXYSGKFSXRS-UHFFFAOYSA-N
rxn:4:176463:223312,COc1cc(OC(F)F)ccc1-c1ccc(C2CNC2)cc1,UNQVDRWBKYNEQF-UHFFFAOYSA-N
rxn:4:176508:223200,C#Cc1cc(C(=O)OC)c(F)c(F)c1-c1ccc(C2CCNC2)cc1,MWKLSPFOIUKKPM-UHFFFAOYSA-N
rxn:4:177415:223312,c1cc(-c2ccc(C3CNC3)cc2)ccc1OCC1CCC1,RQRRQRDBSMOQMN-UHFFFAOYSA-N
rxn:4:178077:223241,COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1cncc(C2CCNC2)c1,ZOLAVHUVCREFNQ-UHFFFAOYSA-N
rxn:4:178362:223311,CCCC1CCC(c2ccc(-c3cccc(C4CNC4)c3)cc2)CC1,LNWPZLHXHBKJIT-UHFFFAOYSA-N
rxn:4:181016:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)c(Cl)cc1C(F)(F)F,JBHOEEONTRNQKI-UHFFFAOYSA-N
rxn:4:181048:223200,Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccc(C2CCNC2)cc1,AGEFCOFYKGJLEY-UHFFFAOYSA-N
rxn:4:181114:223142,CSc1c(Cl)ccc(-c2ccc(C3CCCNC3)nc2)c1F,SYIUJIGOROYIKN-UHFFFAOYSA-N
rxn:4:181203:225881,CC(=O)c1ccc(-c2ccc(C3CCOCC3)nc2F)c(Cl)c1,QZYVHRHUBZRYJI-UHFFFAOYSA-N
rxn:4:181627:223241,Clc1cc(C2OCCO2)ccc1-c1cncc(C2CCNC2)c1,LBWUQRVQPIGUNY-UHFFFAOYSA-N
rxn:4:181800:222807,O=C(NC1CC1)c1cc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc([N+](=O)[O-])c1,MDKRLUBMHADNEN-UHFFFAOYSA-N
rxn:4:181988:223062,Cc1ccc(-c2cc(F)c(-c3cnc(C4CCNCC4)cc3F)cc2F)cc1,UKPGZSAOBDUKBE-UHFFFAOYSA-N
rxn:4:188744:228901,COc1cc(-c2cnc(Cl)cc2OC)ccc1C=C[N+](=O)[O-],LJKSVNMFTJUVRA-UHFFFAOYSA-N
rxn:4:191491:223200,O=[N+]([O-])c1cc(CF)cc(-c2ccc(C3CCNC3)cc2)c1,ZHSOIVBZRFJIGZ-UHFFFAOYSA-N
rxn:4:194517:223218,Cc1c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)ccc2c1NCCO2,YCBGTMBTFUHBJR-UHFFFAOYSA-N
rxn:4:194582:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2cc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1,HRSUXQFGJLBRHW-UHFFFAOYSA-N
rxn:4:194934:222925,C#Cc1nc(Cl)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,ZPVATDRYPPDRNP-UHFFFAOYSA-N
rxn:4:195087:223002,O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C3CCNCC3)cc2F)c1,WYEYRBAFBMRAAP-UHFFFAOYSA-N
rxn:4:195159:223043,O=C(NC1CC1)c1ccc(-c2cc([N+](=O)[O-])c(F)cc2Cl)cc1Cl,PVTOLEMAHPIEPD-UHFFFAOYSA-N
rxn:4:195601:223137,Cc1cc(-c2cncc(C3CCCNC3)c2)c(F)cc1N=C=S,ILOWWWKKCAHIFQ-UHFFFAOYSA-N
rxn:4:196022:222925,FC(F)(F)c1cc(-c2ccc(C3COC3)nc2)ccc1C1CNC1,BHOPQRHUKSJAFX-UHFFFAOYSA-N
rxn:4:196245:225923,Fc1c(C2CCC2)ccnc1-c1cnc(OC2CCCC2)nc1Cl,BIXSAIWYQBFUHQ-UHFFFAOYSA-N
rxn:4:196285:223279,CC1(c2cncc(-c3cnc(C4CCCN4)nc3)c2)CC1(F)F,VDKBMPBILBLKPF-UHFFFAOYSA-N
rxn:4:196285:228306,CC(C)Sc1ncc(-c2cncc(C3(C)CC3(F)F)c2)cn1,YJIGXODVUFOXDB-UHFFFAOYSA-N
rxn:4:196804:222855,COc1cc(-c2cnc(-c3ccc(F)cc3)cc2C)cc(C2CCCNC2)c1,XAMZGIDODQBHQY-UHFFFAOYSA-N
rxn:4:196858:223312,Clc1cc(C2CCOCC2)ncc1-c1ccc(C2CNC2)cc1,YMAZQRZHFHCGMD-UHFFFAOYSA-N
rxn:4:196867:226155,CC(=O)c1cc(-c2ccc(C3CCOCC3)nc2F)cc(C2CC2)c1,INFKMPFKLBLSIG-UHFFFAOYSA-N
rxn:4:196977:223200,Clc1cc(N2CCCCC2)ccc1-c1ccc(C2CCNC2)cc1,SCEILULXLBZJLV-UHFFFAOYSA-N
rxn:4:197015:224331,CN1CCO[C@H](c2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)nc3)cc2)C1,HOQHFTAOYSOJKP-QFIPXVFZSA-N
rxn:4:201294:227947,Cc1cc(C#N)cc(C)c1-c1cnc(OCC2CC2)c(C#N)c1,FEYHSJWKQWEVRG-UHFFFAOYSA-N
rxn:4:202978:228971,O=C([O-])[CH+]C=Cc1ncc(-c2csc(C(F)(F)F)c2)cn1,KGLJERKODKLXCT-UHFFFAOYSA-N
rxn:4:203154:227329,COc1ccc(C(C)=O)cc1-c1cnc(OCC2CCC2)nc1,UBOLOPZJORSDRL-UHFFFAOYSA-N
rxn:4:203190:228749,N#Cc1ccc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,BUYDRJBDOUMPQB-UHFFFAOYSA-N
rxn:4:205264:226587,Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCC3)cc2F)c1C#N,PSABCCZXSHAARK-UHFFFAOYSA-N
rxn:4:205264:227426,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCO3)nc2)c1C#N,JCFFDUBECAOMNH-UHFFFAOYSA-N
rxn:4:206044:228216,Clc1c(-c2cnc(OC3CCCC3)nc2)cncc1C1CC1,ICQIYKIXHZGDGQ-UHFFFAOYSA-N
rxn:4:208333:223200,Cc1c(-c2ccc(C3CCNC3)cc2)cnn1C(F)(F)F,QSOAFLNUNXDJBU-UHFFFAOYSA-N
rxn:4:217340:225813,Cc1c(-c2cc([N+](=O)[O-])cc3nc[nH]c23)cc(F)c(OC(C)C)c1F,KXBDXVLTPPSWOH-UHFFFAOYSA-N
rxn:4:217545:225794,Cc1c([N+](=O)[O-])cc(-c2cnc(OC3CCCCC3)nc2)c2[nH]ncc12,SEIXRCHNOVFTAJ-UHFFFAOYSA-N
rxn:4:224390:185817,COC(=O)Cc1cc(F)c(C#N)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1,HQWGSRYTZZNTGO-UHFFFAOYSA-N
rxn:4:174210:223312,COC(=O)c1ccc(OCc2ccc(-c3ccc(C4CNC4)cc3)cc2)cc1,PSRWWLAZQXHXHI-UHFFFAOYSA-N
rxn:4:175934:222538,Cc1cc(OCCC2OCCCO2)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,CSBHKLBZSNTOQE-UHFFFAOYSA-N
rxn:4:178683:223241,Fc1cc(-c2cncc(C3CCNC3)c2)c(F)cc1OC(F)F,LPZWJHXFXQIPKN-UHFFFAOYSA-N
rxn:4:178684:223312,Fc1cc(OC(F)F)cc(-c2ccc(C3CNC3)cc2)c1F,WLSQLYRCBYUPPJ-UHFFFAOYSA-N
rxn:4:178735:223000,O=C(c1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)c1)C(F)F,QZNRQSAUQBOASS-UHFFFAOYSA-N
rxn:4:179175:223240,CO/C=C/c1ccc(-c2ccc(C3CCNC3)nc2)cc1Cl,ITMZZNHCYIUKKZ-VQHVLOKHSA-N
rxn:4:179360:223200,COC(=O)c1ccc(-c2ccc(C3CCNC3)cc2)c(C)c1,FGMKMWGMAYYXSR-UHFFFAOYSA-N
rxn:4:179948:223000,COc1cc(C(C)C)ccc1-c1ccc(C2CCCNC2)c(F)c1,GSQUMAOMZJJUSO-UHFFFAOYSA-N
rxn:4:180986:223200,FC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cc1Cl,SMGBCDASSZIYNF-UHFFFAOYSA-N
rxn:4:181872:223200,C[Si](C)(C)c1c(F)ccc(-c2ccc(C3CCNC3)cc2)c1F,LRJFGFKDLYBYPN-UHFFFAOYSA-N
rxn:4:182107:223200,CC1(C)CCC(c2ccc(-c3ccc(C4CCNC4)cc3)cc2)CC1,IPMSWHLASCYRQS-UHFFFAOYSA-N
rxn:4:182469:222849,N#Cc1cc(-c2cc(F)c(Cl)cc2F)ccc1C1CCNCC1,KPEMVTSVOYFBNY-UHFFFAOYSA-N
rxn:4:183136:223200,CC1Oc2ccc(-c3ccc(C4CCNC4)cc3)cc2C1C,BKUXPIPWMBQCGH-UHFFFAOYSA-N
rxn:4:185753:225837,FC(F)(F)C(Oc1ccncc1-c1cnc(-c2ccc(Cl)cc2)nc1)C(F)(F)F,NJATZCBGEPNIRH-UHFFFAOYSA-N
rxn:4:188744:226132,COc1cc(-c2ccc(C3(C#N)CC3)cc2C)ccc1C=C[N+](=O)[O-],OZJGOSLJYHAQRK-UHFFFAOYSA-N
rxn:4:194582:223280,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cnc(C5CCNC5)nc4)cc3)cc2c1,ZLWRFXYAPFTBMY-UHFFFAOYSA-N
rxn:4:195058:223004,Fc1cc(-c2ccc(C(F)F)nc2)ccc1C1CCNCC1,CKCADKQHBBYGBM-UHFFFAOYSA-N
rxn:4:195068:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(N=C=S)c(F)c1,QLJHBSMQBZSCPE-UHFFFAOYSA-N
rxn:4:195146:223001,Fc1ccc(C2CCCNC2)cc1-c1ccc(N=C=S)c(F)c1Cl,QMLIANRPSDEZKR-UHFFFAOYSA-N
rxn:4:195314:223005,COc1cc(Cl)c(-c2ccc(C3CCNCC3)c(Cl)c2)cn1,HUFAVLHKPRAUDS-UHFFFAOYSA-N
rxn:4:195551:223002,Cc1cc([N+](=O)[O-])ccc1-c1ccc(C2CCNCC2)cc1F,IMVOKJMUGGRPQR-UHFFFAOYSA-N
rxn:4:195600:225891,COc1cc(-c2cc(F)c(N=C=S)cc2C)cnc1C(OC)OC,RPOLQQLBRCIRBJ-UHFFFAOYSA-N
rxn:4:195607:227628,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1cnc(C2CCC2)nc1Cl,XNMRCBOCLYCXJN-UHFFFAOYSA-N
rxn:4:195613:227628,Cc1c(Cl)cc([N+](=O)[O-])cc1-c1cnc(C2CCC2)nc1Cl,XOFCCZFOBTVXLG-UHFFFAOYSA-N
rxn:4:196013:222925,FC(F)(F)c1cc(-c2cnc(C3CCCO3)s2)ccc1C1CNC1,DDIDARJRYLQOBD-UHFFFAOYSA-N
rxn:4:198323:223002,Cc1cc(Cl)nc(C)c1-c1ccc(C2CCNCC2)cc1F,NLXGWKXNIFHFJV-UHFFFAOYSA-N
rxn:4:203190:223349,O=C1NCc2cccc(-c3cnc(OCC4CC(F)(F)C4)nc3)c21,KHAQDKPTCMRMEJ-UHFFFAOYSA-N
rxn:4:203190:228221,Fc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C2CC2)n1,UWFKSQXGXWCJFS-UHFFFAOYSA-N
rxn:4:205660:225934,FC(F)(F)c1ncc(-c2cnc(OC3CCSC3)nc2)cc1C1CC1,RSPJQOOZVZMNPN-UHFFFAOYSA-N
rxn:4:205660:228357,COc1nc(C)c(-c2cnc(OC3CCSC3)nc2)c(C)n1,KBJQXDOUXPUTJH-UHFFFAOYSA-N
rxn:4:205669:228216,Clc1c(-c2cnc(OC3CCOC3)nc2)cncc1C1CC1,LMNIKRJAPLKJQM-UHFFFAOYSA-N
rxn:4:206048:228216,Cc1nc(OC2CCC2)ncc1-c1cncc(C2CC2)c1Cl,DNDKYVSTZFGRPH-UHFFFAOYSA-N
rxn:4:208038:223000,N#Cc1cc(Cl)ncc1-c1ccc(C2CCCNC2)c(F)c1,IMCALLKGPBUVQK-UHFFFAOYSA-N
rxn:4:208158:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)ncc1Cl,OSPAENFMKLFKEZ-UHFFFAOYSA-N
rxn:4:208261:225657,C#Cc1ncc(-c2ccc(N3CCOCC3)c(C)c2)c(C)n1,ZDYFWQVSISYDNJ-UHFFFAOYSA-N
rxn:4:208261:225688,C#Cc1ncc(-c2cnc(C3CCCCC3)c(Cl)c2)c(C)n1,ZEJSKIYIWVDLTP-UHFFFAOYSA-N
rxn:4:208339:223141,FS(F)(F)(F)(F)c1ncc(-c2cncc(C3CCNCC3)c2)cn1,MELHFOFYJWIXOH-UHFFFAOYSA-N
rxn:4:225837:186351,CN(C)Cc1cc(OC(F)(F)F)cc(-c2cnc(-c3ccc(Cl)cc3)nc2)c1,RVDMWLFUKVZNBC-UHFFFAOYSA-N
rxn:4:177484:223311,FC1(F)CC(COc2ccc(-c3cccc(C4CNC4)c3)cc2)C1,OIKBAIQHDXMCOU-UHFFFAOYSA-N
rxn:4:178077:223199,COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1cccc(C2CCNC2)c1,HKMHYXPKBNFVRF-UHFFFAOYSA-N
rxn:4:180155:222405,CSc1c(-c2cccc(C3NC(=O)NC3=O)c2)ccc(-c2ccccc2)c1F,JVOPLXXGMZONST-UHFFFAOYSA-N
rxn:4:180871:223000,C#Cc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(C)o1,OYPCSTHTRXAFSC-UHFFFAOYSA-N
rxn:4:180949:223139,FC(F)c1cccc(-c2ccc(C3CCNCC3)nc2)c1Cl,IQXJYAJAEUXWNQ-UHFFFAOYSA-N
rxn:4:180966:223139,Fc1c(-c2ccc(C3CCNCC3)nc2)ccc(Cl)c1C(F)F,ZMBGZTGXCKIRSQ-UHFFFAOYSA-N
rxn:4:181523:226572,CC(=O)c1cc(C)cc(-c2cnc(OC3CCCC3)nc2)c1,CQLRJNFDZLWMKV-UHFFFAOYSA-N
rxn:4:181646:227783,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])c(F)cc3F)c(F)c2)C1,QTWPNSHYHHFQNZ-UHFFFAOYSA-N
rxn:4:181937:223312,Fc1cc(-c2ccc(C3CNC3)cc2)ccc1C1CCCC1,UOEMMMLNYYVZNN-UHFFFAOYSA-N
rxn:4:182039:223240,Cc1cc(C2(C)OCCO2)ccc1-c1ccc(C2CCNC2)nc1,NSLYXKNVFNQSKK-UHFFFAOYSA-N
rxn:4:182526:223000,Cc1cc(Cl)c(F)cc1-c1ccc(C2CCCNC2)c(F)c1,ZGDHCRUFMLUDBN-UHFFFAOYSA-N
rxn:4:182993:223200,ClC1CCOc2ccc(-c3ccc(C4CCNC4)cc3)cc21,OTJBYVVJQCGFTJ-UHFFFAOYSA-N
rxn:4:184940:223200,c1cc(-c2ccc(C3CCNC3)cc2)ccc1SCCCN1CCOCC1,UFSDIKDHKCENIA-UHFFFAOYSA-N
rxn:4:188744:228773,CCc1cc(-c2ccc(C=C[N+](=O)[O-])c(OC)c2)cnc1Cl,HJSHXYYYWLBONU-UHFFFAOYSA-N
rxn:4:191637:223312,O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CNC2)cc1,LFDMMKLZTWFPOD-UHFFFAOYSA-N
rxn:4:191790:223200,COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C2CCNC2)cc1,RQTXNWFGHHFJRI-UHFFFAOYSA-N
rxn:4:192510:224385,CC(=O)c1cc(-c2cnc(-c3ccccc3C(F)(F)F)nc2)cc(C2CC2)n1,JIIXLOYHLAMERT-UHFFFAOYSA-N
rxn:4:192580:228337,CCOc1cc(F)c(-c2cnc(OC3CCSC3)c(F)c2)cn1,YCFLUBTTWSYWHQ-UHFFFAOYSA-N
rxn:4:193122:225314,O=C(c1cc(F)c(F)c(-c2cnc(-c3ccc(F)cc3)nc2Cl)c1)N1CCCC1,NVTSAYUHHQTBHW-UHFFFAOYSA-N
rxn:4:194885:223005,FC(F)(F)c1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)s1,GASFZYRJTZYXAV-UHFFFAOYSA-N
rxn:4:195157:226675,O=[N+]([O-])c1cc(-c2cnc(C3CCCC3)nc2Cl)cc(Cl)c1F,PVWCGORMRRUOST-UHFFFAOYSA-N
rxn:4:195612:227628,Cc1cc(-c2cnc(C3CCC3)nc2Cl)cc([N+](=O)[O-])c1Cl,MEBASCUCNMNWIL-UHFFFAOYSA-N
rxn:4:195642:223000,Cc1cc(F)c(-c2ccc(C3CCCNC3)c(F)c2)cc1[N+](=O)[O-],RHDSKSXJVWCKTP-UHFFFAOYSA-N
rxn:4:195862:226587,Fc1cc(OC2CCC2)ncc1-c1cncc(C2CC2(F)F)c1,JNDXZBYJMXOGOR-UHFFFAOYSA-N
rxn:4:196011:222925,FC(F)(F)c1cc(-c2csc(C3CCOC3)n2)ccc1C1CNC1,XCBVGTUQEBOTQN-UHFFFAOYSA-N
rxn:4:196285:226665,CC1(c2cncc(-c3cnc(C4CCCOC4)nc3)c2)CC1(F)F,SPVUNFKXIWZKTQ-UHFFFAOYSA-N
rxn:4:196290:226665,CC1(c2ccnc(-c3cnc(C4CCCOC4)nc3)c2)CC1(F)F,NGOMZUBWERHDLC-UHFFFAOYSA-N
rxn:4:198131:222803,Fc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,PLTWSIOMHDSQAJ-UHFFFAOYSA-N
rxn:4:198288:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)cnc(F)c1Cl,BIEAVMXUMKWRKK-UHFFFAOYSA-N
rxn:4:201294:227980,N#Cc1cc(-c2ccc(C3CC3)cc2F)cnc1OCC1CC1,QWSOFFZGYZPADK-UHFFFAOYSA-N
rxn:4:203154:228143,CCCc1ncc(-c2cnc(OCC3CCC3)nc2)cc1Cl,FWAKUGOMZYRPMJ-UHFFFAOYSA-N
rxn:4:203190:226946,CN1CCc2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)ccc2C1,SNZMIDHORUVJHU-UHFFFAOYSA-N
rxn:4:203190:228128,COc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc1C#N,VTXVYNNHLZIKCF-UHFFFAOYSA-N
rxn:4:205099:226432,COc1cnc(-c2ccc(C3CCCC3)nc2F)cc1C#N,FIKQDWFFVLYMFO-UHFFFAOYSA-N
rxn:4:208261:225613,C#Cc1ncc(-c2ccnc(OC3CCCCC3)c2)c(C)n1,DTPOKQPGRYSCAQ-UHFFFAOYSA-N
rxn:4:209479:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(C3CCCC3)nc2Cl)c1,YNMXIRUJRHIABT-UHFFFAOYSA-N
rxn:4:209909:225684,Cc1nc(C2CCOCC2)ccc1-c1cc2c(Cl)ncc(C#N)c2s1,IEERZINOEGYSLB-UHFFFAOYSA-N
rxn:4:209948:225234,N#Cc1cc(-c2ccc(N3CCCCC3)c(F)c2F)c2[nH]ccc2c1,OUJIEHBCQSRQSY-UHFFFAOYSA-N
rxn:4:210118:225683,Cc1nc(C2CCCOC2)ccc1-c1cc2c(C#N)nccc2c(F)c1F,XXLRWAPECWUNJE-UHFFFAOYSA-N
rxn:4:176368:223311,FC(F)(F)OCc1ccc(-c2cccc(C3CNC3)c2)cc1,JBHXIEGIRYAGBG-UHFFFAOYSA-N
rxn:4:178281:222405,Cc1c(-c2ccc(OC(F)(F)F)cc2)ccc(-c2cccc(C3NC(=O)NC3=O)c2)c1C,QNNPNJBMLDXJFQ-UHFFFAOYSA-N
rxn:4:178835:223240,FC(F)C(F)c1ccc(-c2ccc(C3CCNC3)nc2)cc1,AVDAXRFJZSOOGA-UHFFFAOYSA-N
rxn:4:180923:223005,FC(F)c1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)cc1,WPUWWNHEHSQSFC-UHFFFAOYSA-N
rxn:4:180949:223064,Fc1nc(C2CCNCC2)ccc1-c1cccc(C(F)F)c1Cl,HHWXYUXNIDGQIM-UHFFFAOYSA-N
rxn:4:180970:223147,Fc1cc(C(F)F)c(F)cc1-c1ccc(C2CNCCO2)cc1,ZNTNVLNYHFPFAM-UHFFFAOYSA-N
rxn:4:181008:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(C(F)F)c(F)c1F,YGGKGLZXIKEJSV-UHFFFAOYSA-N
rxn:4:181016:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)c(Cl)cc1C(F)(F)F,ZKXQDRPDTFSIBG-UHFFFAOYSA-N
rxn:4:181382:223002,CSc1ccc(-c2ccc(C3CCNCC3)cc2F)c(C)c1,YLORGWPYFZCFNC-UHFFFAOYSA-N
rxn:4:181617:223200,Cc1cc(C(C)(F)F)ccc1-c1ccc(C2CCNC2)cc1,QTZFTKWKYXBFGC-UHFFFAOYSA-N
rxn:4:181800:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc([N+](=O)[O-])c1,HRSGIGWKXSTYLS-UHFFFAOYSA-N
rxn:4:182477:222849,N#Cc1cc(-c2ccc(Cl)c(F)c2F)ccc1C1CCNCC1,SNAUEUPCKKZIPI-UHFFFAOYSA-N
rxn:4:182487:222849,N#Cc1cc(-c2c(Cl)cc(F)c(F)c2F)ccc1C1CCNCC1,QILKQBYGJFLITQ-UHFFFAOYSA-N
rxn:4:182763:223312,FC1(F)OC(F)(F)c2cc(-c3ccc(C4CNC4)cc3)ccc21,NBQURGKDSYLNHR-UHFFFAOYSA-N
rxn:4:182765:223200,FC1(F)Oc2cc(-c3ccc(C4CCNC4)cc3)ccc2C1(F)F,UFXYTZZUUPGUOV-UHFFFAOYSA-N
rxn:4:188066:223002,N#CSCc1ccc(-c2ccc(C3CCNCC3)cc2F)cc1,ZDTCORNWRICVPO-UHFFFAOYSA-N
rxn:4:188746:228737,COc1ccc(-c2ccc(OCC3CC3(F)F)cn2)c(C)n1,QUABNQYHYBQIAJ-UHFFFAOYSA-N
rxn:4:189070:223312,c1ncc(-c2ccc(C3CNC3)cc2)cc1OCC1CCC1,YCWRMOGZFHWJDJ-UHFFFAOYSA-N
rxn:4:191284:223200,FC(F)(F)Oc1ccc(-c2ccc(C3CCNC3)cc2)nc1,URCVSLCQXFEPKL-UHFFFAOYSA-N
rxn:4:191310:222998,Fc1cc(-c2cnc(OC(F)F)c(F)c2)cc(C2CCCNC2)c1,NQKFJFYBDGJMIW-UHFFFAOYSA-N
rxn:4:191393:223200,O=C(c1ccc(-c2ccc(C3CCNC3)cc2)nc1)C(F)(F)F,HUVFSDHDPZFEJT-UHFFFAOYSA-N
rxn:4:192812:222855,COc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)cc(C2CCCNC2)c1,ZYSOTYPCUJEVJL-UHFFFAOYSA-N
rxn:4:193309:223311,c1cc(-c2ccc(OC3CCCCC3)cn2)cc(C2CNC2)c1,KMWJWGOSNJUWKY-UHFFFAOYSA-N
rxn:4:194582:222807,O=C(NC1CC1)c1cc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc([N+](=O)[O-])c1,GCPXFBQSHKQIRQ-UHFFFAOYSA-N
rxn:4:194948:223002,N#Cc1ccc(-c2ccc(C3CCNCC3)cc2F)c(Cl)c1,GFXQUACNXAWPNP-UHFFFAOYSA-N
rxn:4:195065:226382,Fc1ccc(N=C=S)cc1-c1cnc(C2CCCCC2)nc1,OYUXWLKINKYIRM-UHFFFAOYSA-N
rxn:4:195075:223005,O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,WXWVSUIRSPURFR-UHFFFAOYSA-N
rxn:4:195153:227419,O=[N+]([O-])c1cc(-c2ccc(C3CCC3)nc2F)c(F)cc1Cl,AKGUZODNUIZFKL-UHFFFAOYSA-N
rxn:4:196673:227769,COc1ncc([N+](=O)[O-])cc1-c1ccc(C2CCCC2)nc1F,XEVVHGFAKCBBIB-UHFFFAOYSA-N
rxn:4:205660:228223,Fc1nc(C2CC2)ccc1-c1cnc(OC2CCSC2)nc1,YZXVAZPHQLEVBK-UHFFFAOYSA-N
rxn:4:205952:223200,FC(F)C1CN(c2ncc(-c3ccc(C4CCNC4)cc3)cc2Cl)C1,FZTDOPZCXRXRFR-UHFFFAOYSA-N
rxn:4:205990:225871,O=C1C=CC(=O)N1c1cccc(-c2ncc(-c3ccc(C(F)(F)F)cc3)cn2)c1,AZNPWRFPISYXQF-UHFFFAOYSA-N
rxn:4:206043:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(C#C[Si](C)(C)C)cn1,SBFNPKAGMNTVHW-UHFFFAOYSA-N
rxn:4:208105:223000,N#Cc1c(-c2ccc(C3CCCNC3)c(F)c2)cnc(F)c1F,IRJGZUQNJUBLBW-UHFFFAOYSA-N
rxn:4:208261:225191,C#Cc1ncc(-c2cnc(OC3CCCCC3)cc2F)c(C)n1,GCYYYCUZCIKSOZ-UHFFFAOYSA-N
rxn:4:223062:195058,Fc1cc(C2CCNCC2)ncc1-c1ccc(C(F)F)nc1,GWDKNOMBXPTMQL-UHFFFAOYSA-N
rxn:4:179268:223239,FC1(F)CC1Oc1ccc(-c2cncc(C3CCCN3)c2)cc1,CHWAMCOKGHIMLA-UHFFFAOYSA-N
rxn:4:180966:223200,Fc1c(-c2ccc(C3CCNC3)cc2)ccc(Cl)c1C(F)F,FWUVWDZZTFSWBN-UHFFFAOYSA-N
rxn:4:181003:223139,Fc1cc(-c2ccc(C3CCNCC3)nc2)ccc1C(F)(F)F,KBJLQMOMVWVQGE-UHFFFAOYSA-N
rxn:4:181020:223142,Fc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(C2CCCNC2)nc1,POCGXLQXEWPCCU-UHFFFAOYSA-N
rxn:4:181259:223139,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CCNCC3)nc2)cc1,WQDVDCRCAOHMEK-UHFFFAOYSA-N
rxn:4:181848:223240,C[Si](C)(C)c1cccc(-c2ccc(C3CCNC3)nc2)c1Cl,BCADGGDNFVFIMN-UHFFFAOYSA-N
rxn:4:182075:222405,Cc1cc(F)ccc1-c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)c(C)c1,VFAGAGWOTLQZOO-UHFFFAOYSA-N
rxn:4:182087:223199,Cc1cc(C2CCOCC2)ccc1-c1cccc(C2CCNC2)c1,DJJDLJFIMOYTSG-UHFFFAOYSA-N
rxn:4:182344:223307,c1cc(C2CC3CCC2C3)ccc1-c1ccc2c(c1)CCNC2,GEVRFXYPRUEJAR-UHFFFAOYSA-N
rxn:4:182473:222849,N#Cc1cc(-c2ccc(F)c(F)c2Cl)ccc1C1CCNCC1,CKDMLPYKOPHGPS-UHFFFAOYSA-N
rxn:4:185754:225860,Cc1nccn1-c1ccc(-c2cncc(OC(C(F)(F)F)C(F)(F)F)c2)c(Cl)c1,HYSATLOODJALLT-UHFFFAOYSA-N
rxn:4:185770:227793,NOCCOc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2F)cc1Cl,HCSXIXFNONPGIY-UHFFFAOYSA-N
rxn:4:185783:226016,N#Cc1cc(-c2ccc(OCC(F)(F)F)cc2Cl)ccc1OC[C@H]1CO1,JPHTWICCNQBQLV-CQSZACIVSA-N
rxn:4:186799:224390,O=C(COc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc1F)N1CCOCC1,DPUYBTRXCJNIRN-UHFFFAOYSA-N
rxn:4:186807:226822,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3cccs3)nc2Cl)c1)N1CCOCC1,WJZRDCXOSBNXTN-UHFFFAOYSA-N
rxn:4:189529:223312,Cc1cc(-c2ccc(C3CNC3)cc2)cnc1OCC1CCC1,CVDMBYAAHQUHSW-UHFFFAOYSA-N
rxn:4:192323:223200,COc1cc(-c2ccc(C3CCNC3)cc2)cnc1C1CC1,USFIYGCPLHRIOG-UHFFFAOYSA-N
rxn:4:193321:223311,c1cc(-c2ccc(OC3CCCCC3)nc2)cc(C2CNC2)c1,NHESEADNNNHOBW-UHFFFAOYSA-N
rxn:4:195314:223000,COc1cc(Cl)c(-c2ccc(C3CCCNC3)c(F)c2)cn1,CEIHWMHSRKAVIU-UHFFFAOYSA-N
rxn:4:195473:222925,Cc1c(C#N)ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1F,KBWRLZUJBAFDLP-UHFFFAOYSA-N
rxn:4:195496:223139,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CCNCC3)nc2)cn1,MASGPMZJVXDXGR-UHFFFAOYSA-N
rxn:4:195604:226444,Cc1nc(C2CCCO2)ccc1-c1ccc(N=C=S)c(C)c1F,RUGBEHDPNOVDQV-UHFFFAOYSA-N
rxn:4:195622:225881,Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C2CCOCC2)nc1F,BMUVWWOWQQPXLU-UHFFFAOYSA-N
rxn:4:195633:222987,Cc1cc(Cl)c(-c2ccc(C3CCNCC3)nc2C)cc1[N+](=O)[O-],OFKRAJOJYXXJJO-UHFFFAOYSA-N
rxn:4:196290:226572,CC1(c2ccnc(-c3cnc(OC4CCCC4)nc3)c2)CC1(F)F,OWTDEHOWIGKJKF-UHFFFAOYSA-N
rxn:4:196475:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(-c2cc(F)cc(F)c2)nc1,FYFPUVHGHKOSJE-UHFFFAOYSA-N
rxn:4:196858:223311,Clc1cc(C2CCOCC2)ncc1-c1cccc(C2CNC2)c1,NANGLGGBEWFSOW-UHFFFAOYSA-N
rxn:4:202940:223199,CCOc1ccc(-c2cccc(C3CCNC3)c2)c(C#N)n1,NSUZTWHQJFHEAX-UHFFFAOYSA-N
rxn:4:203190:223312,FC1(F)CC(COc2ncc(-c3ccc(C4CNC4)cc3)cn2)C1,YTXGFOSFQPQNFC-UHFFFAOYSA-N
rxn:4:205064:223002,N#Cc1nc(C(F)(F)F)ccc1-c1ccc(C2CCNCC2)cc1F,WESQYRWHPGJQII-UHFFFAOYSA-N
rxn:4:205064:223200,N#Cc1nc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,YVPVEUYEJCVDOD-UHFFFAOYSA-N
rxn:4:205069:223002,CCCc1nnc(-c2ccc(C3CCNCC3)cc2F)s1,BEFSESBPGMEROQ-UHFFFAOYSA-N
rxn:4:205507:223200,CC(C)c1ccc(-c2ccc(C3CCNC3)cc2)c(C#N)n1,NYNAQVWQHXCEHW-UHFFFAOYSA-N
rxn:4:205677:224390,O=C(c1cnc(Cl)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1)N1CCC1,PAYIOOMPWYMOLT-UHFFFAOYSA-N
rxn:4:209183:225156,O=C(c1ccc(F)c(-c2cnc(-c3ccc(F)cc3)nc2Cl)c1)N1CCCC1,AIIKBRQJZBBMGK-UHFFFAOYSA-N
rxn:4:209969:225802,O=[N+]([O-])c1cc(-c2ccc(OC3CCCC3)nc2F)c2cc[nH]c2c1,TUYDNUMMGBFBGK-UHFFFAOYSA-N
rxn:4:217282:225201,N#Cc1cc2nccn2cc1-c1ccc(OC2CCCC2)c(F)c1F,NYHLMRSYKDHIBP-UHFFFAOYSA-N
rxn:4:174948:223240,CCCCSc1ccc(-c2ccc(C3CCNC3)nc2)cc1,XDNQZTQGDDENLP-UHFFFAOYSA-N
rxn:4:176834:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)ccc1OCC(F)F,WTJQZSMKNPRWHE-UHFFFAOYSA-N
rxn:4:177484:223312,FC1(F)CC(COc2ccc(-c3ccc(C4CNC4)cc3)cc2)C1,INGBYDPPVOVUSM-UHFFFAOYSA-N
rxn:4:179390:223200,Cc1ccc(-c2ccc(C3CCNC3)cc2)cc1CC(F)(F)F,QKRAWRBCPZLECZ-UHFFFAOYSA-N
rxn:4:179411:223200,COC(=O)c1cc(Cl)c(-c2ccc(C3CCNC3)cc2)cc1C,IULIUXLHXFEPSP-UHFFFAOYSA-N
rxn:4:180071:223312,C[Si](C)(C)C#Cc1ccc(-c2ccc(C3CNC3)cc2)cc1,NSYRONJTJUNVME-UHFFFAOYSA-N
rxn:4:180949:223142,FC(F)c1cccc(-c2ccc(C3CCCNC3)nc2)c1Cl,XRQSQJFPBKKNNM-UHFFFAOYSA-N
rxn:4:181444:223002,Fc1cc(C2CCNCC2)ccc1-c1cccc(C2CC2)c1F,ZGBFUJHTTHYDJA-UHFFFAOYSA-N
rxn:4:181691:223062,CSc1cc(C)c(-c2cnc(C3CCNCC3)cc2F)cc1C,QIDJNNFTJAPZRU-UHFFFAOYSA-N
rxn:4:182080:222405,Cc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)c(C)c2F)cc1,WFKLYXAJLIPNEO-UHFFFAOYSA-N
rxn:4:182464:222849,N#Cc1cc(-c2c(F)cc(F)cc2Cl)ccc1C1CCNCC1,ZGVKQFFUJQSMPZ-UHFFFAOYSA-N
rxn:4:182467:222849,N#Cc1cc(-c2cc(F)c(F)cc2Cl)ccc1C1CCNCC1,AMEXBWKVWGUYQE-UHFFFAOYSA-N
rxn:4:182872:223312,Cc1c(-c2ccc(C3CNC3)cc2)ccc2c1OC(F)(F)O2,CTUVZUABHSBEDT-UHFFFAOYSA-N
rxn:4:188148:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)cnc1OCC(F)(F)F,DHWJLAVDJDXNIR-UHFFFAOYSA-N
rxn:4:188195:223312,FC(F)(F)C(F)(F)Oc1ccc(-c2ccc(C3CNC3)cc2)nc1,FVYFOBWWZYGALK-UHFFFAOYSA-N
rxn:4:188746:229088,CC(=O)c1csc(-c2ccc(OCC3CC3(F)F)cn2)c1,MIUMXXJFPMLHGY-UHFFFAOYSA-N
rxn:4:191834:225454,COc1c(-c2ccc(C3=CCN(C)CC3)cc2)cc([N+](=O)[O-])c(F)c1F,IRPOLIQXZZTBRS-UHFFFAOYSA-N
rxn:4:192580:225704,CCn1c(C)nc2cc(-c3cnc(OC4CCSC4)c(F)c3)c(F)cc21,OEFRQYLIRUBHAC-UHFFFAOYSA-N
rxn:4:192580:228683,CCCc1ncc(-c2cnc(OC3CCSC3)c(F)c2)cn1,SMHDNGCQCDWMJW-UHFFFAOYSA-N
rxn:4:193063:223312,N#CC1(c2ccc(-c3ccc(C4CNC4)cc3)cc2F)CCCC1,CDXJWDRKSFJGFT-UHFFFAOYSA-N
rxn:4:195052:223000,CC(F)(F)c1ncc(-c2ccc(C3CCCNC3)c(F)c2)s1,FSOGEWQLFKAPJC-UHFFFAOYSA-N
rxn:4:195071:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(F)cc(N=C=S)c1,VNHXPUNXFJFETL-UHFFFAOYSA-N
rxn:4:195150:223139,Fc1cc(N=C=S)cc(F)c1-c1ccc(C2CCNCC2)nc1,WGZSQZBZRMKPPB-UHFFFAOYSA-N
rxn:4:195172:223199,O=[N+]([O-])c1cc(-c2cccc(C3CCNC3)c2)cc(F)c1Cl,ORKGJVXBBGLUGN-UHFFFAOYSA-N
rxn:4:195220:223200,Fc1c(C(F)(F)F)ccnc1-c1ccc(C2CCNC2)cc1,WQNPPMACBDFXEX-UHFFFAOYSA-N
rxn:4:195471:223002,Cc1cc(C#N)c(F)cc1-c1ccc(C2CCNCC2)cc1F,XZSFETBDRPZSMU-UHFFFAOYSA-N
rxn:4:195482:223000,Cc1cc(-c2ccc(C3CCCNC3)c(F)c2)cc(C#N)c1F,YOMIRSXQPMTCJU-UHFFFAOYSA-N
rxn:4:195859:226508,Fc1nc(OCC2CC2)ccc1-c1cc(C2CC2(F)F)ccn1,AEYBPNQKDCTINC-UHFFFAOYSA-N
rxn:4:196610:228216,Clc1c(-c2ccc(C3COCCO3)nc2)cncc1C1CC1,LWIXVDVAPRARHY-UHFFFAOYSA-N
rxn:4:196867:223311,Fc1nc(C2CCOCC2)ccc1-c1cccc(C2CNC2)c1,XWRIKAJYIXLUNO-UHFFFAOYSA-N
rxn:4:199293:227793,CN1CCc2cc(-c3cc([N+](=O)[O-])c(Cl)cc3F)ccc2C1,DQTXANRGFWBYKA-UHFFFAOYSA-N
rxn:4:203190:225579,N#Cc1cc(-n2cccc2)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,VOBJFRISDLFZRU-UHFFFAOYSA-N
rxn:4:203190:228784,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1F,MBSUTHOOZWYDAJ-UHFFFAOYSA-N
rxn:4:203190:228908,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)cn1,JYHDMPCLSQFRCM-UHFFFAOYSA-N
rxn:4:203929:223966,Cc1cc(OC2CCN(C)CC2)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1[N+](=O)[O-],OZZCDCGZJYNKQY-UHFFFAOYSA-N
rxn:4:205264:226323,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC3CCCC3)nc2)c1C#N,HTFZAUAUNQMSNV-UHFFFAOYSA-N
rxn:4:205660:228232,Clc1ncc(-c2cnc(OC3CCSC3)nc2)cc1C1CC1,IDSGFSAMMDPDAW-UHFFFAOYSA-N
rxn:4:207991:223002,O=[N+]([O-])c1ncc(-c2ccc(C3CCNCC3)cc2F)s1,BBBZREIBIGPFLJ-UHFFFAOYSA-N
rxn:4:208027:223002,Fc1cc(C2CCNCC2)ccc1-c1ccn(C(F)F)n1,DGQSZXWXNSEUQN-UHFFFAOYSA-N
rxn:4:209760:226320,N#CC1(c2ccc(F)c(-c3cnc(C4CCCCC4)nc3Cl)c2)CC1,AOUXJMCGIPMVTF-UHFFFAOYSA-N
rxn:4:211540:222803,FC(F)(F)c1cc(-c2cn3cncc3cc2Cl)ccc1C1CCNC1,ZEOHAXDTBXALBI-UHFFFAOYSA-N
rxn:4:217545:224686,Cc1c([N+](=O)[O-])cc(-c2ccc(C(=O)N3CCCCC3)cc2F)c2[nH]ncc12,MQRQAHCXJWYVDU-UHFFFAOYSA-N
rxn:4:174187:223312,O=C(CCSc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2ccc(C3CNC3)cc2)cc1,CJMBUJDOTQSCEI-UHFFFAOYSA-N
rxn:4:176333:223199,C#CCOc1ccc(-c2cccc(C3CCNC3)c2)c(F)c1,AGMLMHBNXMZHSQ-UHFFFAOYSA-N
rxn:4:176408:223312,Fc1c(OCC(F)F)ccc(-c2ccc(C3CNC3)cc2)c1F,FNMFGPSEVXWNRV-UHFFFAOYSA-N
rxn:4:177484:228021,CC(=O)c1cc(C)cc(-c2ccc(OCC3CC(F)(F)C3)cc2)c1,GIYZIPBOSPVRMD-UHFFFAOYSA-N
rxn:4:178681:223146,Fc1cc(OC(F)F)cc(F)c1-c1cccc(C2CNCCO2)c1,YNHWUSJQVVBMRO-UHFFFAOYSA-N
rxn:4:179174:223200,CO/C=C/c1cccc(-c2ccc(C3CCNC3)cc2)c1Cl,QXYUGUMDHYSNFP-ZRDIBKRKSA-N
rxn:4:180949:223147,FC(F)c1cccc(-c2ccc(C3CNCCO3)cc2)c1Cl,CTVLHMJSOLMJKS-UHFFFAOYSA-N
rxn:4:180989:223064,Fc1nc(C2CCNCC2)ccc1-c1cccc(C(F)(F)F)c1Cl,VSQSDDCNKYSZNX-UHFFFAOYSA-N
rxn:4:181026:223139,Fc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CCNCC2)nc1,WUUKOGLUGLVAAL-UHFFFAOYSA-N
rxn:4:181132:223142,CSc1cc(F)c(-c2ccc(C3CCCNC3)nc2)cc1F,DGZMNUMPEAFJMK-UHFFFAOYSA-N
rxn:4:181258:223240,FS(F)(F)(F)(F)c1cccc(-c2ccc(C3CCNC3)nc2)c1,ZGZUFRFJWHGAOA-UHFFFAOYSA-N
rxn:4:181582:223142,CCc1cc(-c2ccc(C3CCCNC3)nc2)cc(C)c1Cl,WVFIPCRODLUSGX-UHFFFAOYSA-N
rxn:4:181861:223240,CC(C)(C)c1cc(-c2ccc(C3CCNC3)nc2)ccc1F,DWSUNPASSJNYRT-UHFFFAOYSA-N
rxn:4:182073:222405,Cc1cc(F)ccc1-c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)cc1C,HQDCIHXUHHOINR-UHFFFAOYSA-N
rxn:4:182084:225900,Cc1cc(F)cc(C)c1-c1ccc(-c2cc([N+](=O)[O-])ccc2CN(C)C)c(F)c1,JPRSGYVLWVEGGI-UHFFFAOYSA-N
rxn:4:182462:222849,N#Cc1cc(-c2ccc(F)c(Cl)c2F)ccc1C1CCNCC1,UCPGAASOQHOURL-UHFFFAOYSA-N
rxn:4:182484:222849,N#Cc1cc(-c2cc(F)c(F)c(F)c2Cl)ccc1C1CCNCC1,JFVAHUUWVGIWCF-UHFFFAOYSA-N
rxn:4:182934:223200,FC1(F)CCc2c(-c3ccc(C4CCNC4)cc3)cccc21,DLTJWZLKBWQIRC-UHFFFAOYSA-N
rxn:4:183260:227023,CC(c1ccc(-c2ccc3c(c2)COC32CCCCC2)cc1)N(C)C,IXFWJQZCFIXVCH-UHFFFAOYSA-N
rxn:4:183319:223281,OC1(c2ccc(-c3ccc4c(c3)C3CCC4C3)cn2)COC1,VYRPOTYLEHNTQN-UHFFFAOYSA-N
rxn:4:188177:223241,O=[N+]([O-])c1cc(OC(F)F)c(F)cc1-c1cncc(C2CCNC2)c1,WURIVSGKKCMRKP-UHFFFAOYSA-N
rxn:4:188746:228738,COc1cc(-c2ccc(OCC3CC3(F)F)cn2)cc(C)n1,RNSDFTIOVYOXNJ-UHFFFAOYSA-N
rxn:4:192580:228218,Fc1cnc(C2CC2)cc1-c1cnc(OC2CCSC2)c(F)c1,ZGOQWSQJBPWZKD-UHFFFAOYSA-N
rxn:4:192580:228737,COc1ccc(-c2cnc(OC3CCSC3)c(F)c2)c(C)n1,WRGRNMBOTDUYOE-UHFFFAOYSA-N
rxn:4:192816:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc(-c3cccc(C(F)(F)F)c3)nc2)c1,SCZRSYSXHTYNOM-UHFFFAOYSA-N
rxn:4:194935:222998,C#Cc1cc(Cl)c(-c2cc(F)cc(C3CCCNC3)c2)cn1,ZZWOHSWMUGHZTL-UHFFFAOYSA-N
rxn:4:195006:223200,N#Cc1cc(Cl)c(-c2ccc(C3CCNC3)cc2)c(F)c1F,MJXLMPOEKYLWEL-UHFFFAOYSA-N
rxn:4:195153:222925,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(F)cc1Cl,YJOUCCIIFDMCCD-UHFFFAOYSA-N
rxn:4:195521:223002,CCc1ccc(-c2ccc(C3CCNCC3)cc2F)c(Cl)n1,VWOKZINGYVCZGB-UHFFFAOYSA-N
rxn:4:195600:226665,Cc1cc(N=C=S)c(F)cc1-c1cnc(C2CCCOC2)nc1,AYTQANUBGVMTJZ-UHFFFAOYSA-N
rxn:4:195604:225881,Cc1c(N=C=S)ccc(-c2ccc(C3CCOCC3)nc2F)c1F,KNSVMKDUTPRCRA-UHFFFAOYSA-N
rxn:4:203190:228019,CC(=O)c1ccc(C)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,TVNZMEKIKZEFPI-UHFFFAOYSA-N
rxn:4:203190:228761,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cnc1C,WVLLHGVAXIKLTD-UHFFFAOYSA-N
rxn:4:203242:226134,Cc1c(-c2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)cc(C#N)cc1C1CC1,AQRSBLSYHHUOTE-UHFFFAOYSA-N
rxn:4:205037:225677,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C2CCCCC2)nc1F,LOIYKVTUWKRGCK-UHFFFAOYSA-N
rxn:4:206284:223200,Cc1cc(-c2nc(C(F)(F)F)c[nH]2)ccc1-c1ccc(C2CCNC2)cc1,ZBPCTVSJEGDNAB-UHFFFAOYSA-N
rxn:4:208339:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(S(F)(F)(F)(F)F)nc1,KCEZAYPCEGDTST-UHFFFAOYSA-N
rxn:4:208510:223000,COc1ncc(-c2ccc(C3CCCNC3)c(F)c2)c(C)n1,NOWWVOLCCPXLJD-UHFFFAOYSA-N
rxn:4:217545:225089,CCCCCOc1ccc(-c2cc([N+](=O)[O-])c(C)c3cn[nH]c23)c(F)c1F,KREOTHPUMCTSIV-UHFFFAOYSA-N
rxn:4:175957:223385,CCc1cc(-c2cc(C=NO)ccc2Cl)ccc1-c1ccc(C(=O)OC)cc1,ZFHGPKCFCFLZJP-UHFFFAOYSA-N
rxn:4:179941:223240,c1cc(CC2CCC2)cc(-c2ccc(C3CCNC3)nc2)c1,GEAUINCEVDWWBM-UHFFFAOYSA-N
rxn:4:181171:223200,COc1c(F)c(F)c(-c2ccc(C3CCNC3)cc2)c(F)c1F,DOMRUUPCYVXQLH-UHFFFAOYSA-N
rxn:4:181402:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(C2CCC2)o1,NFVBPUBXUQCAQF-UHFFFAOYSA-N
rxn:4:181451:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(C2(F)CC2)cc1,WHAUHEGZAJBZQE-UHFFFAOYSA-N
rxn:4:181691:223142,CSc1cc(C)c(-c2ccc(C3CCCNC3)nc2)cc1C,GLJRQSADGQHSLF-UHFFFAOYSA-N
rxn:4:182004:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CCCOC2)cc1,ILCZLNNVPVNDNS-UHFFFAOYSA-N
rxn:4:182015:223311,Fc1cc(C2CCOCC2)ccc1-c1cccc(C2CNC2)c1,NHBPKAHPMBVWTN-UHFFFAOYSA-N
rxn:4:183038:223200,Cc1cc2c(cc1-c1ccc(C3CCNC3)cc1)C(=O)CC2,SHYXBTIPBLJWQI-UHFFFAOYSA-N
rxn:4:183223:223312,CC1(C)CCc2ccc(-c3ccc(C4CNC4)cc3)cc2O1,MKKWXURKLSPFOK-UHFFFAOYSA-N
rxn:4:183319:223139,c1cc(C2CCNCC2)ncc1-c1ccc2c(c1)C1CCC2C1,CQVWQTPEFRBKCF-UHFFFAOYSA-N
rxn:4:188394:226336,CCOC(=O)c1cnc(-c2cc(C#N)c(C3CC3)cc2Cl)cc1Cl,XEPKJEGIQOEQOZ-UHFFFAOYSA-N
rxn:4:188406:223312,FC(F)(F)CCc1ccc(-c2ccc(C3CNC3)cc2)nc1,UXYZTHJCVJYVEX-UHFFFAOYSA-N
rxn:4:189202:223105,CNS(=O)(=O)c1cc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(F)cc1C,HKFNLBCLJFCZDQ-UHFFFAOYSA-N
rxn:4:192580:228573,Cc1cc(C#N)ccc1-c1cnc(OC2CCSC2)c(F)c1,KIBAUYDBEYMRLN-UHFFFAOYSA-N
rxn:4:194517:223421,CNC(C)c1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)s1,AWOSILLMJVWZIG-UHFFFAOYSA-N
rxn:4:194968:223004,N#Cc1cc(Cl)c(F)cc1-c1ccc(C2CCNCC2)c(F)c1,QXQKUAJHINSLDQ-UHFFFAOYSA-N
rxn:4:195037:223002,O=[N+]([O-])c1cccc(-c2ccc(C3CCNCC3)cc2F)c1,OJPQRVPIEIVKII-UHFFFAOYSA-N
rxn:4:195065:225881,Fc1ccc(N=C=S)cc1-c1ccc(C2CCOCC2)nc1F,UEBSOOVZCZQNSY-UHFFFAOYSA-N
rxn:4:195151:223280,Fc1c(N=C=S)ccc(-c2cnc(C3CCNC3)nc2)c1F,WRQQHEYNCRXYPI-UHFFFAOYSA-N
rxn:4:195197:223200,FC(F)(F)c1cnc(-c2ccc(C3CCNC3)cc2)c(Cl)c1,PMARWCGKURFDIF-UHFFFAOYSA-N
rxn:4:195542:226444,Cc1cc(-c2ccc(C3CCCO3)nc2C)ccc1N=C=S,OZZXLVUSNOEBGU-UHFFFAOYSA-N
rxn:4:196477:222857,COc1cc(-c2ccc(-c3ccc(F)c(F)c3)nc2)cc(C2CCNCC2)c1,TWFUNJRVYLKPPI-UHFFFAOYSA-N
rxn:4:196669:223311,Clc1cc(C2CCCC2)ncc1-c1cccc(C2CNC2)c1,RLXYPXBWOGQRML-UHFFFAOYSA-N
rxn:4:196856:226320,N#CC1(c2ccc(F)c(-c3ccc(C4CCCCO4)nc3)c2)CC1,UJYXLLLXPXCPPX-UHFFFAOYSA-N
rxn:4:196866:226155,CC(=O)c1cc(-c2ccc(C3CCCOC3)nc2F)cc(C2CC2)c1,HUQDCBVYZRZYFV-UHFFFAOYSA-N
rxn:4:201287:228524,CC(F)(F)COc1ncc(-c2cnc3c(c2)CCC3)cc1C#N,GFYCZIOXEUITRC-UHFFFAOYSA-N
rxn:4:203190:223263,CNC(=O)c1ccc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,OYMRKKLMJNILHP-UHFFFAOYSA-N
rxn:4:203190:225778,N#Cc1cc(-n2cccn2)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,NYKXXHWBNIAGHR-UHFFFAOYSA-N
rxn:4:203190:228326,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(OC)n1,ZDXNXANGOIXWMR-UHFFFAOYSA-N
rxn:4:205036:225677,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCCCC2)nc1F,IEZOTPXRVOJYBH-UHFFFAOYSA-N
rxn:4:205055:223200,N#Cc1cc(C(F)(F)F)cnc1-c1ccc(C2CCNC2)cc1,TZDRHHKXJZPWSR-UHFFFAOYSA-N
rxn:4:205264:227084,Cc1cc([N+](=O)[O-])cc(-c2ccc(C(C)(C)C)nc2C)c1C#N,FEDMGZHUPXVHPH-UHFFFAOYSA-N
rxn:4:206180:228230,Clc1cc(-c2cnc(OC3CCSCC3)nc2)cnc1C1CC1,ZGNSSCIISKXPQX-UHFFFAOYSA-N
rxn:4:209724:228218,Fc1cnc(C2CC2)cc1-c1cnc(C2CCCCC2)cn1,OHGLZVLJPNUDSQ-UHFFFAOYSA-N
rxn:4:211756:222803,FC(F)(F)c1cc(-c2cnc3nc(Cl)ccc3c2)ccc1C1CCNC1,ZAMNHLLAWFUYLC-UHFFFAOYSA-N
rxn:4:217311:225766,CCCOc1c(F)cc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)c(C)c1F,GZMUZMCDGAFCFN-UHFFFAOYSA-N
rxn:4:224390:179721,O=C1OCCC1Oc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc1,VKQAJHZBXHBSAQ-UHFFFAOYSA-N
rxn:4:176439:223280,FC(F)(F)C(F)(F)Oc1cc(Cl)cc(-c2cnc(C3CCNC3)nc2)c1,AURMVCFKOLBLPM-UHFFFAOYSA-N
rxn:4:177006:223312,CCCC(=O)c1ccc(-c2ccc(C3CNC3)cc2)cc1F,FJYFMASAFMGHIL-UHFFFAOYSA-N
rxn:4:178679:223312,Fc1cc(F)c(-c2ccc(C3CNC3)cc2)cc1OC(F)F,ZDXKMRHABZKBCL-UHFFFAOYSA-N
rxn:4:179118:223312,COc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(C2CNC2)cc1,PJBUGKQSCMYBSN-UHFFFAOYSA-N
rxn:4:180058:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4cc(F)cc(C(F)(F)F)c4)cc3)cc2)N1,WRQWKJIBDPUQHD-UHFFFAOYSA-N
rxn:4:180866:222849,N#Cc1cc(-c2coc(C(F)(F)F)c2)ccc1C1CCNCC1,CIAFUQXMOKQXEP-UHFFFAOYSA-N
rxn:4:180887:223004,C#Cc1ccc(-c2ccc(C3CCNCC3)c(F)c2)c(F)c1,ZFKRTGSKWOWMSQ-UHFFFAOYSA-N
rxn:4:180935:223130,OC1CN(Cc2ccc(-c3cc(F)c(CF)cc3F)cc2)C1,KWYCFKOUFHMOPH-UHFFFAOYSA-N
rxn:4:181258:223147,FS(F)(F)(F)(F)c1cccc(-c2ccc(C3CNCCO3)cc2)c1,BUPMOPKGMPQSRX-UHFFFAOYSA-N
rxn:4:181624:223312,Clc1cc(-c2ccc(C3CNC3)cc2)ccc1C1OCCO1,FCAGVPOZJJBWIX-UHFFFAOYSA-N
rxn:4:181886:223306,C1=CCC(c2ccc(-c3ccc4c(c3)CNCC4)cc2)OC1,LVHPIYRKKYONMY-UHFFFAOYSA-N
rxn:4:182101:222405,Cc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)c(C)c2C)cc1,HNPGAIRPJQWXNO-UHFFFAOYSA-N
rxn:4:188744:226331,COc1cc(-c2ccc(C3(C#N)CC3)cc2F)ccc1C=C[N+](=O)[O-],IIIXOTXBDDHGHO-UHFFFAOYSA-N
rxn:4:188746:228208,FC1(F)CC1COc1ccc(-c2cc(C3CC3)cnc2Cl)nc1,PQLFEGOQAULASU-UHFFFAOYSA-N
rxn:4:189215:224013,O=C(ON1C(=O)CCC1=O)c1cc(F)cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)c1,ZCFIGSXXOQKNBL-UHFFFAOYSA-N
rxn:4:191716:223002,COc1cc([N+](=O)[O-])ccc1-c1ccc(C2CCNCC2)cc1F,XHZZBINLAWUGEO-UHFFFAOYSA-N
rxn:4:192586:223200,N#CC1(c2ccc(-c3ccc(C4CCNC4)cc3)cc2F)CCC1,HJURYTAJPMWZGZ-UHFFFAOYSA-N
rxn:4:194934:223005,C#Cc1nc(Cl)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,QDUGFDJRSODFJW-UHFFFAOYSA-N
rxn:4:195175:223200,O=[N+]([O-])c1cc(F)c(-c2ccc(C3CCNC3)cc2)c(Cl)c1,JLZOXDJLNVISFK-UHFFFAOYSA-N
rxn:4:195264:223005,Clc1cc(-c2cnc(C3CC3)s2)ccc1C1CCNCC1,BLGIWHPWCNHBGF-UHFFFAOYSA-N
rxn:4:195316:222925,COc1nc(Cl)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,SEYXLVYCGHWJEK-UHFFFAOYSA-N
rxn:4:195521:223000,CCc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)n1,OYFCQNMJNJKBBG-UHFFFAOYSA-N
rxn:4:195600:225300,Cc1cc(N=C=S)c(F)cc1-c1ccc(OC2CCOCC2)nc1F,OJTBUJLWUJGHOT-UHFFFAOYSA-N
rxn:4:195633:225684,Cc1cc(Cl)c(-c2ccc(C3CCOCC3)nc2C)cc1[N+](=O)[O-],GMWITBFWPKQPLT-UHFFFAOYSA-N
rxn:4:195810:225881,Fc1nc(C2CCOCC2)ccc1-c1ccnc(C2CC2)c1F,MURNXQQABHHVNY-UHFFFAOYSA-N
rxn:4:195820:227628,Fc1c(-c2cnc(C3CCC3)nc2Cl)cnc(Cl)c1C1CC1,NAZHRKCJEFGAOS-UHFFFAOYSA-N
rxn:4:197701:223312,CC12CC(c3cc(-c4ccc(C5CNC5)cc4)ccn3)(C1)C2,NVVGDXVELBLRNE-UHFFFAOYSA-N
rxn:4:198184:222699,Fc1cnc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1F,CWUVCINXEPYADQ-UHFFFAOYSA-N
rxn:4:201294:228021,CC(=O)c1cc(C)cc(-c2cnc(OCC3CC3)c(C#N)c2)c1,AXTQTSDTWAJOQT-UHFFFAOYSA-N
rxn:4:202969:225677,NOCc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCCCC2)nc1F,MDBLFIHVHJTGJN-UHFFFAOYSA-N
rxn:4:202978:226827,Cc1c(C(F)(F)F)ccc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)c1F,ONNNVAUWWYQIIK-UHFFFAOYSA-N
rxn:4:202978:227751,O=C([O-])[CH+]C=Cc1ncc(-c2ccc(C(F)(F)F)c(Cl)c2)cn1,HEZNDTKYBDCIES-UHFFFAOYSA-N
rxn:4:203146:228247,CC(=O)c1ccc(F)c(-c2cnc(OCC3CCC3)cn2)c1,OMHQVUPZWFABID-UHFFFAOYSA-N
rxn:4:205264:227210,CCCCOc1ccc(-c2cc([N+](=O)[O-])cc(C)c2C#N)cn1,WHEOHFPOIOGQSG-UHFFFAOYSA-N
rxn:4:206048:226336,Cc1nc(OC2CCC2)ncc1-c1cc(C#N)c(C2CC2)cc1Cl,LUSKFBPVLNWHBF-UHFFFAOYSA-N
rxn:4:208041:223000,N#Cc1cc(Cl)cc(-c2ccc(C3CCCNC3)c(F)c2)n1,WIVNZZMKIRZUDZ-UHFFFAOYSA-N
rxn:4:208261:225881,C#Cc1ncc(-c2ccc(C3CCOCC3)nc2F)c(C)n1,JLIZDAGYLWZCKV-UHFFFAOYSA-N
rxn:4:208315:225320,Cc1c(-c2ccc(N3CCOCC3)c(F)c2F)cnc(Cl)c1C#N,QOCNILYTAHNZFH-UHFFFAOYSA-N
rxn:4:209475:223200,Cc1nc(C2CCC2)ncc1-c1ccc(C2CCNC2)cc1,KSRDRQHGNAVEHL-UHFFFAOYSA-N
rxn:4:176397:223241,Fc1c(OCC(F)F)ccc(-c2cncc(C3CCNC3)c2)c1Cl,JRBSNRIJMRXRMX-UHFFFAOYSA-N
rxn:4:177484:223097,CNC(=O)c1cc(-c2ccc(OCC3CC(F)(F)C3)cc2)cc([N+](=O)[O-])c1,XTLKRVDGXFWOAT-UHFFFAOYSA-N
rxn:4:177682:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4cccc(OC(F)(F)F)c4)cc3F)c2)N1,FYNDQQOGGVEVIJ-UHFFFAOYSA-N
rxn:4:178620:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(SC(F)F)cc1,UUOWKQPOERAVOE-UHFFFAOYSA-N
rxn:4:179083:223200,Cc1cc(OC(F)F)c(F)cc1-c1ccc(C2CCNC2)cc1,HVQVAAJUNJJLIH-UHFFFAOYSA-N
rxn:4:179125:223312,CSc1c(C(F)(F)F)ccc(-c2ccc(C3CNC3)cc2)c1F,KYVWXQSNYHRFAX-UHFFFAOYSA-N
rxn:4:180260:223312,Cc1c(OC(C)C)ccc(-c2ccc(C3CNC3)cc2)c1C,NRMMVYBYJQXVBB-UHFFFAOYSA-N
rxn:4:180491:223199,c1cc(-c2ccc(C3CCOCC3)cc2C2CC2)cc(C2CCNC2)c1,ZXONFFGBWWLJHV-UHFFFAOYSA-N
rxn:4:180984:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1Cl,XHJLPIJZWAHZPF-UHFFFAOYSA-N
rxn:4:180989:223200,FC(F)(F)c1cccc(-c2ccc(C3CCNC3)cc2)c1Cl,HGFAJRVCTGLCJR-UHFFFAOYSA-N
rxn:4:181180:226025,C#Cc1ccc(-c2cnc(OC3CCOC3)nc2Cl)c(C)c1,WHTMYSKBNMSDQM-UHFFFAOYSA-N
rxn:4:181258:223142,FS(F)(F)(F)(F)c1cccc(-c2ccc(C3CCCNC3)nc2)c1,CMFZRSFHJAAPIV-UHFFFAOYSA-N
rxn:4:181443:223005,Fc1cc(C2CC2)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,GBKYDKKTDSAPHL-UHFFFAOYSA-N
rxn:4:181867:223240,C[Si](C)(C)c1ccc(-c2ccc(C3CCNC3)nc2)c(F)c1F,LMFYGDKPKILONW-UHFFFAOYSA-N
rxn:4:182477:223000,Fc1cc(-c2ccc(Cl)c(F)c2F)ccc1C1CCCNC1,GGTSUXSETZALHP-UHFFFAOYSA-N
rxn:4:183092:223142,Cc1c(-c2ccc(C3CCCNC3)nc2)ccc2c1CCC2,OBWQTEZKPMLAIX-UHFFFAOYSA-N
rxn:4:184831:224013,COCCN(C)C(=O)c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)c(C)c1,ZGPVDQHKSWPBFZ-UHFFFAOYSA-N
rxn:4:188177:223199,O=[N+]([O-])c1cc(OC(F)F)c(F)cc1-c1cccc(C2CCNC2)c1,UUNJFWRGBVIRSC-UHFFFAOYSA-N
rxn:4:188197:223200,FC(F)(F)C(F)(F)Oc1cncc(-c2ccc(C3CCNC3)cc2)c1,QBVXRDXRKPWFOJ-UHFFFAOYSA-N
rxn:4:189071:228464,FC(F)Oc1cncc(-c2ccc(OCC3CCC3)nc2)c1,RJRZCFQHAIPQCB-UHFFFAOYSA-N
rxn:4:189785:226816,COc1c(-c2cnc(-c3ccoc3)nc2Cl)cc([N+](=O)[O-])cc1C(C)(C)C,WRYFDMBPYWULQP-UHFFFAOYSA-N
rxn:4:191306:223199,Fc1nc(OC(F)F)ccc1-c1cccc(C2CCNC2)c1,TWXMSSONYXOPJE-UHFFFAOYSA-N
rxn:4:191400:222925,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,PVJZELWTONEEGA-UHFFFAOYSA-N
rxn:4:194969:223004,N#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)c(F)c2)cc1F,JQAUCLKFXVSGCP-UHFFFAOYSA-N
rxn:4:195148:222998,Fc1cc(-c2cc(F)c(N=C=S)c(F)c2)cc(C2CCCNC2)c1,GDIZGOFEQGUCIA-UHFFFAOYSA-N
rxn:4:195188:223200,O=[N+]([O-])c1cc(F)cc(-c2ccc(C3CCNC3)cc2)c1F,NCCPVLIOTSJOCH-UHFFFAOYSA-N
rxn:4:195561:223200,c1cc(C2CCNC2)ccc1-c1nc(C2OCCO2)cs1,KMCZZTXJXREEQY-UHFFFAOYSA-N
rxn:4:195598:223000,Cc1c(N=C=S)ccc(-c2ccc(C3CCCNC3)c(F)c2)c1Cl,GLBBOZIMVATRGH-UHFFFAOYSA-N
rxn:4:195642:222985,Cc1cc(F)c(-c2ccc(C3CCCNC3)nc2C)cc1[N+](=O)[O-],VNZDHJPYPKOALA-UHFFFAOYSA-N
rxn:4:195643:227312,CCC(C)c1ccc(-c2cc([N+](=O)[O-])cc(C)c2F)c(F)n1,GFZHGNNCHBUOGK-UHFFFAOYSA-N
rxn:4:201194:223312,FC(F)(F)OCCn1cc(-c2ccc(C3CNC3)cc2)cn1,NYOWMZTZQZMNOR-UHFFFAOYSA-N
rxn:4:202856:223200,FC(F)(F)COc1cnc(-c2ccc(C3CCNC3)cc2)cn1,QKVQTYBVEVRUGG-UHFFFAOYSA-N
rxn:4:205011:225677,N#CCc1cc(-c2ccc(C3CCCCC3)nc2F)c(F)cn1,UCTKYLADGQFUIL-UHFFFAOYSA-N
rxn:4:205037:222555,COc1ccc(NC(=O)c2ccc(-c3cc([N+](=O)[O-])cc(F)c3C#N)cc2)cc1,AAYOCGJTAGKGED-UHFFFAOYSA-N
rxn:4:205045:226432,N#Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCC3)nc2F)c1F,SWQLSTRWEOOOPD-UHFFFAOYSA-N
rxn:4:205660:227954,c1cc(C2CCC2)ncc1-c1cnc(OC2CCSC2)nc1,COGYJLHAXNUPCE-UHFFFAOYSA-N
rxn:4:208232:223002,CSc1ncc(-c2ccc(C3CCNCC3)cc2F)c(Cl)n1,DUEHBFNBUMOVIV-UHFFFAOYSA-N
rxn:4:210030:225300,N#Cc1nccc2c(-c3ccc(OC4CCOCC4)nc3F)ccc(Cl)c12,CFJAUTRJCBYTDN-UHFFFAOYSA-N
rxn:4:217234:225320,N#Cc1cc2c(-c3ccc(N4CCOCC4)c(F)c3F)cncc2[nH]1,PJSMPNATMPRQJW-UHFFFAOYSA-N
rxn:4:217340:225875,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)cc2Cl)c2[nH]cnc2c1,CEHLJBIYIFCTBA-UHFFFAOYSA-N
rxn:4:174536:223312,CCOC(=O)COc1ccc2cc(-c3ccc(C4CNC4)cc3)ccc2c1,DPTWNMVZXUPNEZ-UHFFFAOYSA-N
rxn:4:176383:223360,CNCc1cccc(-c2ccc(OCC(F)F)cc2F)c1F,QSDIDMRRQFGYSJ-UHFFFAOYSA-N
rxn:4:176391:223239,FC(F)(F)COc1ccc(-c2cncc(C3CCCN3)c2)c(Cl)c1,FSDOYMKTGDMPJA-UHFFFAOYSA-N
rxn:4:176627:223311,CCOC(=O)c1cc(Cl)c(-c2cccc(C3CNC3)c2)cc1F,KORFJWFFWIARPQ-UHFFFAOYSA-N
rxn:4:178949:223312,FC(F)(F)C(F)(F)c1ccc(-c2ccc(C3CNC3)cc2)c(Cl)c1,RQCIODPMMHSQSP-UHFFFAOYSA-N
rxn:4:181011:223062,Fc1cc(C2CCNCC2)ncc1-c1c(F)cc(C(F)F)cc1F,JCARNBUVSUNNPL-UHFFFAOYSA-N
rxn:4:181016:223130,OC1CN(Cc2ccc(-c3cc(F)c(C(F)(F)F)cc3Cl)cc2)C1,NZFNGJSWIBTZHR-UHFFFAOYSA-N
rxn:4:181232:226572,CC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)cc(Cl)c1F,VGQOMTVGWGHDJO-UHFFFAOYSA-N
rxn:4:181259:222925,FC(F)(F)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1C1CNC1,BDMCIEGXGPNWRE-UHFFFAOYSA-N
rxn:4:181264:223142,FS(F)(F)(F)(F)c1cc(Cl)cc(-c2ccc(C3CCCNC3)nc2)c1,LZHOLZJFFCMGLD-UHFFFAOYSA-N
rxn:4:181266:223240,Fc1cc(-c2ccc(C3CCNC3)nc2)cc(S(F)(F)(F)(F)F)c1,DIUVFJRFDQZMCT-UHFFFAOYSA-N
rxn:4:181444:223000,Fc1cc(-c2cccc(C3CC3)c2F)ccc1C1CCCNC1,WBRRXOHBIMIIHC-UHFFFAOYSA-N
rxn:4:182004:223311,c1cc(-c2ccc(C3CCCOC3)cc2)cc(C2CNC2)c1,KKTYPMXLPMFLBU-UHFFFAOYSA-N
rxn:4:182466:222849,N#Cc1cc(-c2cc(Cl)c(F)cc2F)ccc1C1CCNCC1,WMXKCOQCOCWKIZ-UHFFFAOYSA-N
rxn:4:183156:223311,CC1(C)OCc2cc(-c3cccc(C4CNC4)c3)ccc2O1,KSJKNFZGVBQENT-UHFFFAOYSA-N
rxn:4:188056:223200,CCOC(=O)c1ncc(-c2ccc(C3CCNC3)cc2)s1,WFTSVTNZZRCHKU-UHFFFAOYSA-N
rxn:4:191376:225601,C#Cc1cc(-c2ccc(C3(C#N)CCC3)cc2F)cc([N+](=O)[O-])c1,IJTDEJJCLZZHNE-UHFFFAOYSA-N
rxn:4:191748:223241,COc1nc(-c2cncc(C3CCNC3)c2)ccc1C(F)F,YTFPQQKLUFPFQS-UHFFFAOYSA-N
rxn:4:192057:226508,N#Cc1cc(-c2ccc(OCC3CC3)nc2F)cc(C2CC2)c1,TXAKIXDKGGSBAU-UHFFFAOYSA-N
rxn:4:194886:223000,Fc1cc(-c2ncc(C(F)(F)F)s2)ccc1C1CCCNC1,KBQLOICLYJVONJ-UHFFFAOYSA-N
rxn:4:195004:225674,N#Cc1cc(F)c(F)c(-c2cnc(C3CCCCC3)cc2F)c1,OATBUANQQWDRKP-UHFFFAOYSA-N
rxn:4:195146:226276,COc1ccc(-c2ccc(N=C=S)c(F)c2Cl)cc1CN(C)C,KCYYZOCIMIXZNN-UHFFFAOYSA-N
rxn:4:195186:225677,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CCCCC3)nc2F)c1,FGTFODPHWDORPP-UHFFFAOYSA-N
rxn:4:195543:223002,Cc1ccc(-c2ccc(C3CCNCC3)cc2F)cc1[N+](=O)[O-],WHOIXUYONNCUFV-UHFFFAOYSA-N
rxn:4:195604:225300,Cc1c(N=C=S)ccc(-c2ccc(OC3CCOCC3)nc2F)c1F,LOETXPTUDFTNCR-UHFFFAOYSA-N
rxn:4:196221:226572,Cc1cc(-c2cnc(OC3CCCC3)nc2)cc(C2CC2)n1,IYEHEYZOGVABOG-UHFFFAOYSA-N
rxn:4:196526:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCOC3)nc2F)c1,OSGBRSLMWOODOP-UHFFFAOYSA-N
rxn:4:196851:228198,Cc1nc(C2CCOC2)ccc1-c1cnc(C(C)C)nc1C,XOSSEDUXBPXDKP-UHFFFAOYSA-N
rxn:4:198282:222925,Cc1c(F)cncc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,ZFCWWGXLPMLXHA-UHFFFAOYSA-N
rxn:4:198288:223004,Cc1c(-c2ccc(C3CCNCC3)c(F)c2)cnc(F)c1Cl,VGZQOVVRMPPQNN-UHFFFAOYSA-N
rxn:4:199168:223200,Clc1ncc(-c2ccc(C3CCNC3)cc2)c2c1CCCC2,VXJNQHCYAANUGP-UHFFFAOYSA-N
rxn:4:200880:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)CC1,DWWLODPPWVCPKN-KWQFAZJVSA-N
rxn:4:203190:227957,Cc1nc(C(C)C)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,ZQNZLVMZBIAWTF-UHFFFAOYSA-N
rxn:4:204984:225881,N#Cc1cc(C#N)cc(-c2ccc(C3CCOCC3)nc2F)c1,ZPNZHGQVTFOTIC-UHFFFAOYSA-N
rxn:4:205037:223312,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C2CNC2)cc1,WFPLVRDAIVGJOS-UHFFFAOYSA-N
rxn:4:205264:225677,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCCC3)nc2F)c1C#N,ATODSBVREXMDIR-UHFFFAOYSA-N
rxn:4:205615:227787,CCC(C)c1ncc(-c2cc(Cl)c(F)c([N+](=O)[O-])c2)c(Cl)n1,IUHCGAZAOFGTRC-UHFFFAOYSA-N
rxn:4:205990:222991,OC1CCCN(c2ccc(-c3ncc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)C1,GCKRXTPRCJJDSZ-UHFFFAOYSA-N
rxn:4:209763:223312,Clc1cc(-c2ccc(C3CNC3)cc2)cnc1N1CCCCC1,NXPUBIZGHAUAOM-UHFFFAOYSA-N
rxn:4:211545:223200,ClC1=CCn2c(-c3ccc(C4CCNC4)cc3)cnc2O1,DIEJVFQOEAXGJI-UHFFFAOYSA-N
rxn:4:212371:223200,CN1CCOc2ncc(-c3ccc(C4CCNC4)cc3)cc21,XXJKDVUUROMJDY-UHFFFAOYSA-N
rxn:4:177136:223312,CCOC(=O)c1ccc(-c2ccc(C3CNC3)cc2)c(C)c1,SNKQKFSQHYJXNS-UHFFFAOYSA-N
rxn:4:178077:222405,COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1cccc(C2NC(=O)NC2=O)c1,GXVDAGZBBQTZDD-UHFFFAOYSA-N
rxn:4:178077:223312,COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1ccc(C2CNC2)cc1,OJGXVJGJQNNXDB-UHFFFAOYSA-N
rxn:4:179453:223312,COC(=O)c1cc(C)c(-c2ccc(C3CNC3)cc2)cc1F,SDASVXPVRJNBGG-UHFFFAOYSA-N
rxn:4:179665:223200,CCC(=O)c1ccc(-c2ccc(C3CCNC3)cc2)c(C)c1,OUYFJWHTFXHAEW-UHFFFAOYSA-N
rxn:4:180371:223142,COc1ccc(-c2cc(F)c(-c3ccc(C4CCCNC4)nc3)cc2C)cc1,AHECGSZPWBGIOD-UHFFFAOYSA-N
rxn:4:180928:223000,FCc1c(Cl)ccc(-c2ccc(C3CCCNC3)c(F)c2)c1F,GILIRDFNFGFZIJ-UHFFFAOYSA-N
rxn:4:181555:226665,CC(=O)c1cc(C)c(-c2cnc(C3CCCOC3)nc2)c(F)c1,VTOPEXLDEIVJJQ-UHFFFAOYSA-N
rxn:4:181721:223378,FC1(F)CC(c2ccc(-c3cnc4c(c3)NCCO4)cc2)C1,WVTAEKMZZODBAW-UHFFFAOYSA-N
rxn:4:182520:223062,Cc1c(Cl)ccc(-c2cnc(C3CCNCC3)cc2F)c1F,WJEIZSBYHJVFOD-UHFFFAOYSA-N
rxn:4:182741:223000,Fc1cc(-c2ccc3c(c2F)CCO3)ccc1C1CCCNC1,RGHGISGEDUEBBI-UHFFFAOYSA-N
rxn:4:183192:224386,O=C1CC2(COC2)Oc2cc(-c3cnc(-c4cccc(C(F)(F)F)c4)nc3)ccc21,BEFQOEXOOKOQHQ-UHFFFAOYSA-N
rxn:4:188746:228550,CCCc1cc(-c2ccc(OCC3CC3(F)F)cn2)ccn1,YHRBFBFJVIECDG-UHFFFAOYSA-N
rxn:4:191277:223200,FC(F)Oc1ncc(-c2ccc(C3CCNC3)cc2)cc1Cl,WTSUZHAABIDWRG-UHFFFAOYSA-N
rxn:4:191400:223199,N#Cc1cc(C(F)(F)F)ccc1-c1cccc(C2CCNC2)c1,XLGRKWGSEKPVAJ-UHFFFAOYSA-N
rxn:4:191631:223312,O=[N+]([O-])c1ccc(-c2ccc(C3CNC3)cc2)c(C(F)(F)F)c1F,HFXYCCSMNMLRHT-UHFFFAOYSA-N
rxn:4:192039:226508,COc1cc(C)c(-c2ccc(OCC3CC3)nc2F)cc1C#N,SFKDPFJEZNDKNU-UHFFFAOYSA-N
rxn:4:192580:228816,Cc1nc(C)c(-c2cnc(OC3CCSC3)c(F)c2)c(C)n1,JVNDSSURGNGTBV-UHFFFAOYSA-N
rxn:4:194582:222959,Cc1cc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)ccc1C1CCNCC1,GTAPGAKOSUHTHD-UHFFFAOYSA-N
rxn:4:194886:223002,Fc1cc(C2CCNCC2)ccc1-c1ncc(C(F)(F)F)s1,DBDOIGYZNNDJKK-UHFFFAOYSA-N
rxn:4:195066:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(N=C=S)cc1F,WQLJFYGYZVOKAQ-UHFFFAOYSA-N
rxn:4:195087:223043,O=C(NC1CC1)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)cc1Cl,HNLAHFJOQCWDEB-UHFFFAOYSA-N
rxn:4:195110:223142,FC(F)c1ccnc(-c2ccc(C3CCCNC3)nc2)c1Cl,PXBYAUQIBFHKMU-UHFFFAOYSA-N
rxn:4:195146:223007,Fc1cc(-c2ccc(N=C=S)c(F)c2Cl)cc(C2CCNCC2)c1,IUBYFEPDDQXHAL-UHFFFAOYSA-N
rxn:4:195161:223000,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCCNC3)c(F)c2)c1,VUGKDCSQAIRKIA-UHFFFAOYSA-N
rxn:4:195283:222959,Cc1cc(-c2cc(C3CC3)ns2)ccc1C1CCNCC1,KAWHWYUKHMZFGB-UHFFFAOYSA-N
rxn:4:195633:226432,Cc1cc(Cl)c(-c2ccc(C3CCCC3)nc2F)cc1[N+](=O)[O-],VYVUJXUFFGNMAS-UHFFFAOYSA-N
rxn:4:195653:227432,Cc1nc(C2COC2)ccc1-c1cc(C(C)(F)F)cnc1Cl,VOQZRAOLOIGEAG-UHFFFAOYSA-N
rxn:4:195753:222803,FC(F)(F)c1cc(-c2cnc(C3CCC3)s2)ccc1C1CCNC1,KDHDHYJXHUOPFO-UHFFFAOYSA-N
rxn:4:196198:223218,Cc1c(-c2ccc(N3C(=O)C=CC3=O)cc2Cl)ccc2c1NCCO2,FELSIFCCEQHPTN-UHFFFAOYSA-N
rxn:4:196285:228469,Cc1ncc([N+](=O)[O-])cc1-c1cncc(C2(C)CC2(F)F)c1,BLJZRRVUIQLFCW-UHFFFAOYSA-N
rxn:4:196327:223146,FC1(F)CC(c2ccc(-c3cccc(C4CNCCO4)c3)cn2)C1,HDTUWUBPGSNUTG-UHFFFAOYSA-N
rxn:4:203190:227416,Fc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C2CCC2)n1,WZAKBTPGUYJWGD-UHFFFAOYSA-N
rxn:4:205264:226235,CCCCOc1ccc(-c2cc([N+](=O)[O-])cc(C)c2C#N)c(C)n1,RQVBTXOGFHLFRZ-UHFFFAOYSA-N
rxn:4:205660:228208,Clc1ncc(C2CC2)cc1-c1cnc(OC2CCSC2)nc1,UJLZPYWPYWDOQO-UHFFFAOYSA-N
rxn:4:206043:228224,Cc1cc(C#N)cc(-c2cnc(C#C[Si](C)(C)C)cn2)c1Cl,XIBVCGHXKBVAKC-UHFFFAOYSA-N
rxn:4:207613:223312,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CNC5)cc4)cc3)nc2c1,STXNHZHTYNBRCR-UHFFFAOYSA-N
rxn:4:208233:223002,CSc1nc(Cl)ncc1-c1ccc(C2CCNCC2)cc1F,WTHTYUAFCDOKPY-UHFFFAOYSA-N
rxn:4:208261:223007,C#Cc1ncc(-c2cc(F)cc(C3CCNCC3)c2)c(C)n1,SJLAWBAUSCNVLN-UHFFFAOYSA-N
rxn:4:209963:225447,O=[N+]([O-])c1cc(-c2ccc(OC3CCCCC3)cc2)c2[nH]ccc2c1,PRMFDTJIQTXCRL-UHFFFAOYSA-N
rxn:4:210435:226181,Cc1cc2c([N+](=O)[O-])cc(-c3ccc(C4=CCCCC4)nc3)cc2[nH]1,KSKWGYLWSLWBAY-UHFFFAOYSA-N
rxn:4:210647:223312,CC12CC(c3cnc(-c4ccc(C5CNC5)cc4)cn3)(C1)C2,RVCMRGLJESSELN-UHFFFAOYSA-N
rxn:4:177897:223199,COC(=O)c1ccc(-c2ccc(-c3cccc(C4CCNC4)c3)cc2Cl)cc1,LWQIFUCMYHQCGN-UHFFFAOYSA-N
rxn:4:178631:223142,FC(F)Oc1ccc(-c2ccc(C3CCCNC3)nc2)c(Cl)c1,RLCOUEWLFMIXOO-UHFFFAOYSA-N
rxn:4:180984:223240,FC(F)(F)c1ccc(-c2ccc(C3CCNC3)nc2)c(Cl)c1,MIGJRWUZEJSBSZ-UHFFFAOYSA-N
rxn:4:181382:222985,CSc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C)c1,PYKRGVKEHQGFBU-UHFFFAOYSA-N
rxn:4:181698:223142,Cc1ccc(C2CC2)cc1-c1ccc(C2CCCNC2)nc1,VGQGPMOXWCUADA-UHFFFAOYSA-N
rxn:4:181892:223312,Cc1cc(C2OCCO2)ccc1-c1ccc(C2CNC2)cc1,RMEUOOAHRINNOQ-UHFFFAOYSA-N
rxn:4:182109:223199,c1cc(-c2ccc(C3CCC4(CC3)OCCO4)cc2)cc(C2CCNC2)c1,WIKNECIKBLWNDJ-UHFFFAOYSA-N
rxn:4:182932:223240,FC1(F)CCc2cc(-c3ccc(C4CCNC4)nc3)ccc21,LQSYXNBFHWMAJY-UHFFFAOYSA-N
rxn:4:189071:228224,Cc1cc(C#N)cc(-c2ccc(OCC3CCC3)nc2)c1Cl,HUBHALMZQPNHHI-UHFFFAOYSA-N
rxn:4:189297:228247,CC(=O)c1ccc(F)c(-c2ccc(C(=O)OC(C)(C)C)nc2)c1,UXWGJRPMWMJZEE-UHFFFAOYSA-N
rxn:4:192580:228214,Fc1cc(C2CC2)ncc1-c1cnc(OC2CCSC2)c(F)c1,HXYSGMHLFIUNBY-UHFFFAOYSA-N
rxn:4:194517:223145,O=C1CCC(c2ccc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)cc2)N1,ZFZNGQUXTGQREB-UHFFFAOYSA-N
rxn:4:195062:223008,Fc1ccc(C2CCNCC2)cc1-c1ccc(N=C=S)cc1Cl,UOSPCNIUFZQMQM-UHFFFAOYSA-N
rxn:4:195065:226444,Cc1nc(C2CCCO2)ccc1-c1cc(N=C=S)ccc1F,BSUBOMRRJIJQDZ-UHFFFAOYSA-N
rxn:4:195066:222925,Fc1cc(N=C=S)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,AARNWCRTMWJCPS-UHFFFAOYSA-N
rxn:4:195151:226235,CCCCOc1ccc(-c2ccc(N=C=S)c(F)c2F)c(C)n1,WAAVNKPGIVHEQR-UHFFFAOYSA-N
rxn:4:195600:223198,Cc1cc(N=C=S)c(F)cc1-c1cccc(CNC2CC2)c1,FHRLJIPSHKZFHM-UHFFFAOYSA-N
rxn:4:195632:225881,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCOCC3)nc2F)c1Cl,SUXDEEFAZBZNNN-UHFFFAOYSA-N
rxn:4:195790:223139,Clc1cnc(-c2ccc(C3CCNCC3)nc2)cc1C1CC1,HLBHUSFKSXEYAK-UHFFFAOYSA-N
rxn:4:196327:223199,FC1(F)CC(c2ccc(-c3cccc(C4CCNC4)c3)cn2)C1,YIVDZZMVPLXIOT-UHFFFAOYSA-N
rxn:4:196616:228143,CCCc1ncc(-c2ccc(C3COCCO3)nc2F)cc1Cl,MIIIQLVAXCMNPR-UHFFFAOYSA-N
rxn:4:197490:223200,c1cc(C2CCNC2)ccc1-c1ccc(C23CC(C2)C3)nc1,WRAOQGDCYDWLTM-UHFFFAOYSA-N
rxn:4:197714:225881,CCc1cn(C)c2cc(-c3ccc(C4CCOCC4)nc3F)c(F)cc12,LBWUOVSKQMVEPK-UHFFFAOYSA-N
rxn:4:198187:222803,Fc1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(Cl)c1F,JXWZLGRGSKLOPG-UHFFFAOYSA-N
rxn:4:202969:225234,NOCc1ccc([N+](=O)[O-])cc1-c1ccc(N2CCCCC2)c(F)c1F,CNRCXYYQGFBZEW-UHFFFAOYSA-N
rxn:4:203190:226200,CC(C)n1cnc2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)ccc21,VXBSQBXVINEWQW-UHFFFAOYSA-N
rxn:4:203190:228573,Cc1cc(C#N)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,QVKJTYXJHLVQJZ-UHFFFAOYSA-N
rxn:4:205037:226432,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C2CCCC2)nc1F,WRPMJMHFZONVKL-UHFFFAOYSA-N
rxn:4:205264:225802,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC3CCCC3)nc2F)c1C#N,VTMWPWJRULRLRY-UHFFFAOYSA-N
rxn:4:205608:226155,CCC(C)c1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,TVOFYRZTHGRIPP-UHFFFAOYSA-N
rxn:4:206027:226340,N#Cc1cc(-c2cnc(OC3CCCC3)cn2)c(Cl)c(C2CC2)c1,ROTYISOHOBOLEL-UHFFFAOYSA-N
rxn:4:206526:228021,CC(=O)c1cc(C)cc(-c2cnc(OC3CCC(F)(F)CC3)nc2)c1,QEGYRWTUXUHIIT-UHFFFAOYSA-N
rxn:4:209756:223312,Cc1nc(C2CCCC2)ncc1-c1ccc(C2CNC2)cc1,CZJPZYAUILJZQB-UHFFFAOYSA-N
rxn:4:209764:223312,FC1CCN(c2ccc(-c3ccc(C4CNC4)cc3)cn2)CC1,UYSJJXCVQZXMJU-UHFFFAOYSA-N
rxn:4:209795:223312,FC1(F)CCN(c2ncc(-c3ccc(C4CNC4)cc3)cc2Cl)CC1,VZGBXNNKDYFSAS-UHFFFAOYSA-N
rxn:4:217311:225813,Cc1c(-c2cc([N+](=O)[O-])cc3cn[nH]c23)cc(F)c(OC(C)C)c1F,HPGBQNADNKGMIN-UHFFFAOYSA-N
rxn:4:217340:225657,Cc1cc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)ccc1N1CCOCC1,LDZBUPDNDDPJLF-UHFFFAOYSA-N
rxn:4:176831:223312,CC(F)(F)COc1cccc(-c2ccc(C3CNC3)cc2)c1,PKLOBHROGFHQFV-UHFFFAOYSA-N
rxn:4:180018:223240,FC(F)(F)C1(c2cccc(-c3ccc(C4CCNC4)nc3)c2)CCC1,YJTVSHJALYHHFO-UHFFFAOYSA-N
rxn:4:180865:223000,Fc1cc(-c2ccc(C(F)(F)F)o2)ccc1C1CCCNC1,QAQFBDKFUDZTLP-UHFFFAOYSA-N
rxn:4:181672:223127,Cc1cc(C2CC2)ccc1-c1ccc(CNC2CC2)cc1F,ZEFXIILTPATCDV-UHFFFAOYSA-N
rxn:4:182396:222405,O=C1NC(=O)C(c2cccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)N1,DMHFXYAQBBWXFX-UHFFFAOYSA-N
rxn:4:183141:223240,CC1CCc2cc(-c3ccc(C4CCNC4)nc3)ccc2O1,QXBFBSWHCAELEY-UHFFFAOYSA-N
rxn:4:185581:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2coc3cc(OCCN4CCOCC4)ccc3c2=O)cc1,ZOXBCXPIHLNWGJ-UHFFFAOYSA-N
rxn:4:192580:228456,COc1nc(SC)ncc1-c1cnc(OC2CCSC2)c(F)c1,RSPJALZOYQHBKE-UHFFFAOYSA-N
rxn:4:192580:228716,Cc1cc(-c2cnc(OC3CCSC3)c(F)c2)cnc1C#N,LLTKFTMSABJNDL-UHFFFAOYSA-N
rxn:4:192580:228762,CCn1cc(-c2cnc(OC3CCSC3)c(F)c2)ccc1=O,MIJLWSDLIWTFAP-UHFFFAOYSA-N
rxn:4:192817:223001,Fc1ccc(C2CCCNC2)cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,JKVJTDDKHXLBTE-UHFFFAOYSA-N
rxn:4:194987:223002,N#Cc1c(-c2ccc(C3CCNCC3)cc2F)ccc(F)c1F,XKNWEWCQFLNLRK-UHFFFAOYSA-N
rxn:4:195040:222803,FCc1cc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cnc1Cl,YBGPWZUPPHUNFD-UHFFFAOYSA-N
rxn:4:195079:223005,O=[N+]([O-])c1c(Cl)cccc1-c1ccc(C2CCNCC2)c(Cl)c1,LMCYSXFNSWRTPJ-UHFFFAOYSA-N
rxn:4:195091:222925,O=[N+]([O-])c1ccc(F)c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1,UAVSSHGHVUUNFE-UHFFFAOYSA-N
rxn:4:195264:225881,Fc1nc(C2CCOCC2)ccc1-c1cnc(C2CC2)s1,BRLHOBVOYNWGOG-UHFFFAOYSA-N
rxn:4:195599:223008,Cc1cc(-c2cc(C3CCNCC3)ccc2F)c(Cl)cc1N=C=S,KKCDYPFBGZFVKM-UHFFFAOYSA-N
rxn:4:195606:227628,Cc1c(Cl)cc(-c2cnc(C3CCC3)nc2Cl)cc1[N+](=O)[O-],SRCDPLZJNCZGSW-UHFFFAOYSA-N
rxn:4:196665:223200,c1cc(C2CCNC2)ccc1-c1cncc(C2CCCC2)c1,XRVSKEGKMFNFER-UHFFFAOYSA-N
rxn:4:205037:222732,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C(=O)NC2CCCCC2)cc1,KLLCXQFLCIRPOM-UHFFFAOYSA-N
rxn:4:205484:226340,N#Cc1cc(-c2ccc(OC3CCC3)nn2)c(Cl)c(C2CC2)c1,XYIMHTVASSNSPY-UHFFFAOYSA-N
rxn:4:206042:223312,C[Si](C)(C)C#Cc1cnc(-c2ccc(C3CNC3)cc2)nc1,MYONRXZDWVTTLF-UHFFFAOYSA-N
rxn:4:206055:227413,Fc1cc(C2CCC2)ncc1-c1cnc(OC2CCCC2)nc1Cl,LOSQMUDTBVIYPX-UHFFFAOYSA-N
rxn:4:206420:223312,Cc1cc(-c2ccc(C3CNC3)cc2)cnc1N1CC(C(F)F)C1,JXXXQKQPPSHRDB-UHFFFAOYSA-N
rxn:4:207613:222864,CC(C)NCCOc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1F,POOMPNWFBDSDCR-UHFFFAOYSA-N
rxn:4:207613:223307,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc5c(c4)CCNC5)cc3)nc2c1,XRFRYMSWQWDEGZ-UHFFFAOYSA-N
rxn:4:208042:223000,N#Cc1nc(Cl)ccc1-c1ccc(C2CCCNC2)c(F)c1,GPXMQTQQRSGADB-UHFFFAOYSA-N
rxn:4:208223:222925,COc1ncc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cn1,OQKLITWNPDUDDG-UHFFFAOYSA-N
rxn:4:208261:224598,C#Cc1ncc(-c2ccc(N3CCC(C)CC3)cc2OC)c(C)n1,PFJVUJOKUACSQH-UHFFFAOYSA-N
rxn:4:208261:225192,C#Cc1ncc(-c2cc(OC3CCCCC3)ncc2F)c(C)n1,GVHFSLVZWVFMEN-UHFFFAOYSA-N
rxn:4:208400:225802,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC3CCCC3)nc2F)n1,LJMCXYYVTANEAM-UHFFFAOYSA-N
rxn:4:209216:223312,c1cc(C2CNC2)ccc1-c1cnc(N2CCOCC2)s1,GZJWGHRNJLMEMM-UHFFFAOYSA-N
rxn:4:209328:223312,O=C1CCCCN1c1ncc(-c2ccc(C3CNC3)cc2)s1,PQIJNVGPCNGHRI-UHFFFAOYSA-N
rxn:4:209622:228216,Clc1c(-c2cnc(C3=CCCCC3)cn2)cncc1C1CC1,XRRQTMZNJKMKMA-UHFFFAOYSA-N
rxn:4:209763:223311,Clc1cc(-c2cccc(C3CNC3)c2)cnc1N1CCCCC1,FASRFCMTCWEYOD-UHFFFAOYSA-N
rxn:4:209791:223312,FC1(F)CCCN(c2cncc(-c3ccc(C4CNC4)cc3)c2)C1,YBMCFOZBMADIDW-UHFFFAOYSA-N
rxn:4:217311:225868,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(F)c2)c2[nH]ncc2c1,JVVVRLXKDZPWKH-UHFFFAOYSA-N
rxn:4:217545:224705,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCC(C)CC3)c(F)c2F)c2[nH]ncc12,KMMJAGDXISFBKE-UHFFFAOYSA-N
rxn:4:223131:189202,FC(F)(F)Oc1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3)cn2)cc1,QMFSKCMXGNKSLM-UHFFFAOYSA-N
rxn:4:178206:222405,COC(=O)c1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2C)cc1F,FJKACWHCSIBLIS-UHFFFAOYSA-N
rxn:4:178731:223240,C#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)nc1,IIOQQSYPAFZSCZ-UHFFFAOYSA-N
rxn:4:180170:222405,COc1ccc(-c2c(F)cc(-c3cccc(C4NC(=O)NC4=O)c3)cc2F)cc1,UNBSHRHGFHREQA-UHFFFAOYSA-N
rxn:4:180984:223199,FC(F)(F)c1ccc(-c2cccc(C3CCNC3)c2)c(Cl)c1,XVRJIIZPYAHHOX-UHFFFAOYSA-N
rxn:4:181258:223199,FS(F)(F)(F)(F)c1cccc(-c2cccc(C3CCNC3)c2)c1,JEKASWURQFZUSZ-UHFFFAOYSA-N
rxn:4:181371:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)ccc(C(F)(F)F)c1F,AYPNSGFQXKDPQE-UHFFFAOYSA-N
rxn:4:181606:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)cc(C)c1C(F)F,XOWZYTIOWYFDFT-UHFFFAOYSA-N
rxn:4:182091:223312,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(C2CNC2)cc1,NRWXJOSDUZZMQQ-UHFFFAOYSA-N
rxn:4:188850:226336,CCOC(=O)c1cc(C)c(-c2cc(C#N)c(C3CC3)cc2Cl)cn1,FJEPOQXVVMGXTK-UHFFFAOYSA-N
rxn:4:191256:223002,CCSc1nc(-c2ccc(C3CCNCC3)cc2F)cs1,QJWIUYJDSKKWIE-UHFFFAOYSA-N
rxn:4:191730:223200,Cc1nc(OC(F)F)ccc1-c1ccc(C2CCNC2)cc1,RVVRWAKIYRUDHS-UHFFFAOYSA-N
rxn:4:195146:223130,OC1CN(Cc2ccc(-c3ccc(N=C=S)c(F)c3Cl)cc2)C1,LTCZAWQRKPGSBI-UHFFFAOYSA-N
rxn:4:195151:222959,Cc1cc(-c2ccc(N=C=S)c(F)c2F)ccc1C1CCNCC1,BOURPKOXYHIUBL-UHFFFAOYSA-N
rxn:4:195161:223004,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCNCC3)c(F)c2)c1,LNVOPSWCAGMPOZ-UHFFFAOYSA-N
rxn:4:195174:223147,O=[N+]([O-])c1ccc(F)c(-c2ccc(C3CNCCO3)cc2)c1Cl,DALVEFMQDWEMCI-UHFFFAOYSA-N
rxn:4:195317:223002,COc1ccc(-c2ccc(C3CCNCC3)cc2F)c(Cl)n1,BMLQDNDZBHZACZ-UHFFFAOYSA-N
rxn:4:195607:223200,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc(C2CCNC2)cc1,ASCLJMHKUXZFJG-UHFFFAOYSA-N
rxn:4:196285:223240,CC1(c2cncc(-c3ccc(C4CCNC4)nc3)c2)CC1(F)F,JVDFGRMCSLMOHG-UHFFFAOYSA-N
rxn:4:196826:223199,c1cc(-c2ccc(C3CCCCO3)cn2)cc(C2CCNC2)c1,RLUCJKLVSRUIHB-UHFFFAOYSA-N
rxn:4:196851:226155,CC(=O)c1cc(-c2ccc(C3CCOC3)nc2C)cc(C2CC2)c1,LDJUILOKSZKTLB-UHFFFAOYSA-N
rxn:4:198326:222925,Cc1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(C)nc1Cl,CXWGRICGCVMBMV-UHFFFAOYSA-N
rxn:4:198779:222925,Fc1cc2nc(Cl)ccc2cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,XCUQDAXLOLSQGY-UHFFFAOYSA-N
rxn:4:203064:226155,CCOC(=O)c1cnc(-c2cc(C(C)=O)cc(C3CC3)c2)c(C)n1,MDALODVXPVJSBA-UHFFFAOYSA-N
rxn:4:203190:223341,O=C1Cc2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)ccc2N1,NJHIAYMBDHASPC-UHFFFAOYSA-N
rxn:4:203242:224291,Fc1cc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)ccc1OCCN1CCOCC1,FRRCAWHJLIYEAC-UHFFFAOYSA-N
rxn:4:204990:226278,Cc1nc(OCC(C)C)ccc1-c1c(F)c(C#N)c(F)c(F)c1C#N,DCOYCPABTSIYKY-UHFFFAOYSA-N
rxn:4:205024:226946,CN1CCc2cc(-c3cc([N+](=O)[O-])ccc3C#N)ccc2C1,QYRZPBPKMWRISW-UHFFFAOYSA-N
rxn:4:205040:223200,N#Cc1cc([N+](=O)[O-])cc(Cl)c1-c1ccc(C2CCNC2)cc1,XOZKUTGVRAOMIY-UHFFFAOYSA-N
rxn:4:206027:226326,N#CC1(c2cccc(-c3cnc(OC4CCCC4)cn3)c2F)CC1,GIYLDEIFNOQFOQ-UHFFFAOYSA-N
rxn:4:206042:228224,Cc1cc(C#N)cc(-c2ncc(C#C[Si](C)(C)C)cn2)c1Cl,OOZCOOMEFIDIEH-UHFFFAOYSA-N
rxn:4:206867:222699,CN1CCN(C(=O)c2cc(F)cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)CC1,NQDMJPONBWGTCZ-UHFFFAOYSA-N
rxn:4:207613:223259,CC(=O)Nc1cc(C)c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cn1,GKDIWJNESBMZDX-UHFFFAOYSA-N
rxn:4:207613:225098,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(OCCN5CCCC5)nc4)cc3)nc2c1,IKIDJBUKQLQCJX-UHFFFAOYSA-N
rxn:4:207614:223312,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(C5CNC5)cc4)c3)nc2c1,QYVOTZXQPOASCS-UHFFFAOYSA-N
rxn:4:208235:223002,COc1ncc(-c2ccc(C3CCNCC3)cc2F)c(Cl)n1,YBTWDMXUCGYSJU-UHFFFAOYSA-N
rxn:4:208261:223059,C#Cc1ncc(-c2ccc(N3CCNCC3)cc2Cl)c(C)n1,KDCNDZZJUXMYMI-UHFFFAOYSA-N
rxn:4:208994:226446,Cc1nc(C2CCOC2)ccc1-c1cnc(C2CC2)nc1C,TWVSDKTZDCRVFJ-UHFFFAOYSA-N
rxn:4:209090:223312,FC1(F)CN(c2ccc(-c3ccc(C4CNC4)cc3)cn2)C1,JLCFYHHTWVZJOQ-UHFFFAOYSA-N
rxn:4:178829:223200,FC(F)(F)Cc1ccc(-c2ccc(C3CCNC3)cc2)cc1,QGTAPBSVNVBSRF-UHFFFAOYSA-N
rxn:4:179571:223200,CCOc1ccc(-c2ccc(C3CCNC3)cc2)c(C)c1F,NDYFFUYWPDPHLC-UHFFFAOYSA-N
rxn:4:179626:223312,FC(F)(F)C1(c2ccc(-c3ccc(C4CNC4)cc3)cc2)CC1,YMXPCQBWZIEGGQ-UHFFFAOYSA-N
rxn:4:180928:223147,FCc1c(Cl)ccc(-c2ccc(C3CNCCO3)cc2)c1F,GJXKAIOXSDPVKW-UHFFFAOYSA-N
rxn:4:180945:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)F)cc1Cl,USKPOGPOZJYHOB-UHFFFAOYSA-N
rxn:4:181039:223312,Fc1cc(C(F)(F)F)cc(F)c1-c1ccc(C2CNC2)cc1,FXVMYATZMGIIBN-UHFFFAOYSA-N
rxn:4:181937:223307,Fc1cc(-c2ccc3c(c2)CCNC3)ccc1C1CCCC1,KEIPUIGIJNYFGB-UHFFFAOYSA-N
rxn:4:183483:224331,CCOC(=O)CC(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc([N+](=O)[O-])c1,GBCUCFGRHAGXIX-UHFFFAOYSA-N
rxn:4:191280:223200,FC(F)Oc1cnc(-c2ccc(C3CCNC3)cc2)c(Cl)c1,GIAHLXCNXRTUHA-UHFFFAOYSA-N
rxn:4:191376:223142,C#Cc1cc(-c2ccc(C3CCCNC3)nc2)cc([N+](=O)[O-])c1,POXLIYDFAIBMIK-UHFFFAOYSA-N
rxn:4:191750:223241,Cc1nc(-c2cncc(C3CCNC3)c2)ccc1OC(F)F,BLULBNPTWKCLSA-UHFFFAOYSA-N
rxn:4:192532:224014,COc1nc(C)c(C(C)=O)cc1-c1cnc(-c2cccc(C(F)(F)F)c2)nc1Cl,UEKNVTPLTRMJGF-UHFFFAOYSA-N
rxn:4:193285:224390,O=C(c1cc(F)c(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1)N1CCOCC1,GYKLXSIFTOQMEQ-UHFFFAOYSA-N
rxn:4:195062:224646,N#Cc1cc(-c2ccc(N=C=S)cc2Cl)ccc1OC1CCOCC1,RGIGQHODJWFNDX-UHFFFAOYSA-N
rxn:4:195075:222925,O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,NCEXYSTWDVKZOL-UHFFFAOYSA-N
rxn:4:195081:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1F,KCBBBQRHYNRYMH-UHFFFAOYSA-N
rxn:4:195153:223004,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)c(F)c2)c(F)cc1Cl,VIJORABEYCUPER-UHFFFAOYSA-N
rxn:4:195264:225601,N#CC1(c2ccc(-c3cnc(C4CC4)s3)c(F)c2)CCC1,HAIWFTRWLGFDKN-UHFFFAOYSA-N
rxn:4:195624:223000,Cc1cc(-c2ccc(C3CCCNC3)c(F)c2)cc([N+](=O)[O-])c1F,PZEXHKICJPYDKE-UHFFFAOYSA-N
rxn:4:196503:223312,c1cc(C2CNC2)ccc1-c1cnc(C2CCCCO2)s1,VFBVYUZILWWPDK-UHFFFAOYSA-N
rxn:4:196673:228469,Cc1ncc([N+](=O)[O-])cc1-c1ccc(C2CCCC2)nc1F,QJIBNUCRUOTSIK-UHFFFAOYSA-N
rxn:4:196845:228214,Fc1cc(C2CC2)ncc1-c1ccc(C2CCSCC2)nc1,CNZYXFWELOZHDZ-UHFFFAOYSA-N
rxn:4:197014:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1N1CCOCC1,XQORNVPZNHMZTJ-UHFFFAOYSA-N
rxn:4:201287:228691,CCOc1ccc(-c2cnc(OCC(C)(F)F)c(C#N)c2)cn1,DNDXMBCEMYOTMH-UHFFFAOYSA-N
rxn:4:203190:223311,FC1(F)CC(COc2ncc(-c3cccc(C4CNC4)c3)cn2)C1,PKIORXURWBZEKP-UHFFFAOYSA-N
rxn:4:203874:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCN4CCN(C)CC4)cc3F)cc2)CC1,NRZBCPRTKKQKJU-HCGLCNNCSA-N
rxn:4:205044:223200,N#Cc1cc([N+](=O)[O-])c(F)cc1-c1ccc(C2CCNC2)cc1,LYPZOAODMAMPIA-UHFFFAOYSA-N
rxn:4:205059:223000,N#Cc1cc(C(F)(F)F)ncc1-c1ccc(C2CCCNC2)c(F)c1,QQUUGGNTGOOAKH-UHFFFAOYSA-N
rxn:4:205264:225536,Cc1cc([N+](=O)[O-])cc(-c2ccc(OCC(C)C)c(C#N)c2)c1C#N,IMEWCIZCPHGLSL-UHFFFAOYSA-N
rxn:4:205350:226505,CC(C)COc1ncc(-c2cncc(C3CC3)c2C#N)cc1Cl,VFZDQKLCPDWTDS-UHFFFAOYSA-N
rxn:4:207613:223311,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C5CNC5)c4)cc3)nc2c1,KPRDOBANALVXCO-UHFFFAOYSA-N
rxn:4:207613:223386,O/N=C/c1ccc(Cl)c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c1,JNIUVJOZWPJVLE-LUOAPIJWSA-N
rxn:4:208994:226457,Cc1nc(C2CC2)ncc1-c1ccc(C2CCOC2)c(F)c1,YMJPZUZNXZIHGM-UHFFFAOYSA-N
rxn:4:209760:223312,Clc1nc(C2CCCCC2)ncc1-c1ccc(C2CNC2)cc1,WDPZGXQNWGLYER-UHFFFAOYSA-N
rxn:4:209963:224705,CC1CCN(c2ccc(-c3cc([N+](=O)[O-])cc4cc[nH]c34)c(F)c2F)CC1,PZWUMWFDDFEFHT-UHFFFAOYSA-N
rxn:4:210313:225677,CC(=O)c1n[nH]c2cc(-c3ccc(C4CCCCC4)nc3F)ccc12,NUFFAECVOGFRKZ-UHFFFAOYSA-N
rxn:4:215320:225674,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(C2CCCCC2)cc1F,PRSYFSCXFUNRJY-UHFFFAOYSA-N
rxn:4:174691:223240,FCCCOc1cccc(-c2ccc(C3CCNC3)nc2)c1,KTOSGMRZZWXPKE-UHFFFAOYSA-N
rxn:4:177679:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3)c2)N1,INLDRJZZDAENPX-UHFFFAOYSA-N
rxn:4:178731:223200,C#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,HFQNQIQXSBVBOL-UHFFFAOYSA-N
rxn:4:181995:225900,Cc1cc(-c2cc([N+](=O)[O-])ccc2CN(C)C)ccc1-c1cccc(F)c1F,QROLTWLYRQMBMC-UHFFFAOYSA-N
rxn:4:181999:223311,C1=C(c2ccc(-c3cccc(C4CNC4)c3)cc2)CCCC1,BMDCDWXSBIEBGU-UHFFFAOYSA-N
rxn:4:182738:223000,Fc1cc(-c2cc3c(cc2Cl)OCC3)ccc1C1CCCNC1,JEXHWPGBWMVLAF-UHFFFAOYSA-N
rxn:4:183021:223200,c1cc(C2CCNC2)ccc1-c1ccc2c(c1)OCCCO2,OREYQAWJWQLUDR-UHFFFAOYSA-N
rxn:4:188131:223307,FC(F)(F)COc1ccc(-c2ccc3c(c2)CCNC3)cn1,SCKZCXHQLIHWBS-UHFFFAOYSA-N
rxn:4:189067:228216,COc1cc(-c2cncc(C3CC3)c2Cl)cnc1OC(C)C,XPIIPDYZOHLNKB-UHFFFAOYSA-N
rxn:4:191260:226508,C#Cc1cc(-c2ccc(OCC3CC3)nc2F)cc(C#C)n1,FBAZECIZDQEIMQ-UHFFFAOYSA-N
rxn:4:192171:226155,CC(=O)c1cc(-c2ccc(OC(C)C)c(F)n2)cc(C2CC2)c1,KDOIEIJZSKNEOW-UHFFFAOYSA-N
rxn:4:194582:223145,O=C1CCC(c2ccc(-c3ccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)cc3)cc2)N1,BDOGPOSKNANFDZ-UHFFFAOYSA-N
rxn:4:195063:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(N=C=S)c(Cl)c1,MGDRLVSQBQWXLS-UHFFFAOYSA-N
rxn:4:195151:223109,CC(NC1CC1)c1ccc(-c2ccc(N=C=S)c(F)c2F)cc1,DLCGSKOWSSVCCL-UHFFFAOYSA-N
rxn:4:195151:223194,CCCNCc1ccc(-c2ccc(N=C=S)c(F)c2F)cc1,ITXOYFHACUXLDC-UHFFFAOYSA-N
rxn:4:195331:223004,CSc1cc(Cl)ncc1-c1ccc(C2CCNCC2)c(F)c1,ZMDFPKTVRUFDHS-UHFFFAOYSA-N
rxn:4:196226:226446,Cc1cc(C2CC2)ncc1-c1ccc(C2CCOC2)nc1C,GGWZHKBOGKAQCN-UHFFFAOYSA-N
rxn:4:196616:228230,Fc1nc(C2COCCO2)ccc1-c1cnc(C2CC2)c(Cl)c1,DCQNVQITRATACY-UHFFFAOYSA-N
rxn:4:196644:226665,c1cc(C2CCCC2)cc(-c2cnc(C3CCCOC3)nc2)n1,QHLVGTXLWSMTGK-UHFFFAOYSA-N
rxn:4:196661:226446,Cc1cc(C2CCC2)ncc1-c1ccc(C2CCOC2)nc1C,XPNNNPKBJNJEKB-UHFFFAOYSA-N
rxn:4:196816:228216,Clc1c(-c2ccc(C3CCOCC3)cn2)cncc1C1CC1,QNVNDFDMEAKSHP-UHFFFAOYSA-N
rxn:4:196826:226155,CC(=O)c1cc(-c2ccc(C3CCCCO3)cn2)cc(C2CC2)c1,RYOKMQQGZIBUCZ-UHFFFAOYSA-N
rxn:4:196845:227997,Fc1ccc(C2CC2)cc1-c1ccc(C2CCSCC2)nc1,YGPHTVPYXIUXCF-UHFFFAOYSA-N
rxn:4:197051:228216,CN1CCCC(c2ccc(-c3cncc(C4CC4)c3Cl)cc2)C1,KEOARVHOMLUFIQ-UHFFFAOYSA-N
rxn:4:201335:228216,CC(C)COc1ncc(-c2cncc(C3CC3)c2Cl)cc1C#N,ANJOOVWVGYHZHI-UHFFFAOYSA-N
rxn:4:202978:227753,O=C([O-])[CH+]C=Cc1ncc(-c2cccc(C(F)(F)F)c2Cl)cn1,VUPCLIAXEYECRV-UHFFFAOYSA-N
rxn:4:203190:223241,FC1(F)CC(COc2ncc(-c3cncc(C4CCNC4)c3)cn2)C1,WFVJRLQUYLGDGU-UHFFFAOYSA-N
rxn:4:203190:227107,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)c(C2CC2)c1,SNPLFCDLIABLBL-UHFFFAOYSA-N
rxn:4:205264:225089,CCCCCOc1ccc(-c2cc([N+](=O)[O-])cc(C)c2C#N)c(F)c1F,QGMIZSURUZYUOH-UHFFFAOYSA-N
rxn:4:205660:223312,c1cc(C2CNC2)ccc1-c1cnc(OC2CCSC2)nc1,MAWZYEBQODEYCB-UHFFFAOYSA-N
rxn:4:206032:226329,N#CC1(c2ccc(-c3ccc(OC4CCCC4)nn3)cc2F)CC1,ZTXDFPPKSNWLGS-UHFFFAOYSA-N
rxn:4:206055:223312,Clc1nc(OC2CCCC2)ncc1-c1ccc(C2CNC2)cc1,HYCZJMYEXYQULQ-UHFFFAOYSA-N
rxn:4:207614:225456,CN1CCC(c2ccc(-c3cccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)cc2)CC1,JLFSPLAFLVBBFW-UHFFFAOYSA-N
rxn:4:208261:225590,C#Cc1ncc(-c2ccc(CN3CCCC3)c(F)c2)c(C)n1,VUZINUKRSKLFAM-UHFFFAOYSA-N
rxn:4:217944:222699,FC(F)(F)c1cc(-c2cnc3nsnc3c2)ccc1C1CCCNC1,NDAZXTGJNHZEOI-UHFFFAOYSA-N
rxn:4:228328:185754,CCOc1ccc(-c2cncc(OC(C(F)(F)F)C(F)(F)F)c2)c(F)n1,DEXKHIMNCVQCAV-UHFFFAOYSA-N
rxn:4:173871:223248,COc1cc(OCC(F)(F)C(F)F)ccc1-c1cnc2[nH]c(=O)ccc2c1,HGWDREXVIZJACC-UHFFFAOYSA-N
rxn:4:174008:223312,CCOC(=O)C(F)(F)c1ccc(-c2ccc(C3CNC3)cc2)c(OC)c1,UJCAOERDGISBIT-UHFFFAOYSA-N
rxn:4:176345:223200,C#Cc1cc(OC(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,CTHYUUSXJFLDOL-UHFFFAOYSA-N
rxn:4:178073:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1-c1ccc(OC(F)(F)F)cc1,GTNUISJUOGFHTA-UHFFFAOYSA-N
rxn:4:178652:223240,FC(F)(F)Oc1ccc(-c2ccc(C3CCNC3)nc2)c(Cl)c1,FGFOWJYMCUUSBD-UHFFFAOYSA-N
rxn:4:180911:222849,N#Cc1cc(-c2ccc(CF)cc2)ccc1C1CCNCC1,ODPBTCZJOLPZEL-UHFFFAOYSA-N
rxn:4:180928:225456,CN1CCC(c2ccc(-c3ccc(Cl)c(CF)c3F)cc2)CC1,RGCXNKMYJNNXNZ-UHFFFAOYSA-N
rxn:4:182537:223004,Cc1cc(F)c(F)cc1-c1ccc(C2CCNCC2)c(F)c1,KLINTJYZNPYVMF-UHFFFAOYSA-N
rxn:4:183247:223312,CC1(C)CCCc2ccc(-c3ccc(C4CNC4)cc3)cc21,PLRNEWKICDWFHJ-UHFFFAOYSA-N
rxn:4:183279:223169,FC1(F)C2Cc3ccc(-c4cnc(C5CCNCC5)nc4)cc3C21,XJIVKRSRJQFHGH-UHFFFAOYSA-N
rxn:4:184364:225314,CCOC(=O)Cc1cc(C#N)c(F)c(-c2cnc(-c3ccc(F)cc3)nc2Cl)c1,NYWIPZFEDREPRV-UHFFFAOYSA-N
rxn:4:186278:225314,CN(C)C(=O)c1cc(OC(F)F)cc(-c2cnc(-c3ccc(F)cc3)nc2Cl)c1,KUOMXIAEKDJRAR-UHFFFAOYSA-N
rxn:4:188381:226134,CCOC(=O)c1ccc(-c2cc(C#N)cc(C3CC3)c2C)nc1Cl,KQWDVGWWHZVFFQ-UHFFFAOYSA-N
rxn:4:192111:226572,N#Cc1cc(-c2cnc(OC3CCCC3)nc2)cc(C2CC2(F)F)c1,LSMZMNXOERECAH-UHFFFAOYSA-N
rxn:4:192580:228207,Fc1cc(-c2cc(C3CC3)cnc2F)cnc1OC1CCSC1,YCGBSVSLYUGXFB-UHFFFAOYSA-N
rxn:4:194381:226446,Cc1nc(C2CCOC2)ccc1-c1ccc2c(C(=O)C(C)C)c[nH]c2c1,XPSGDFDSYYRJOC-UHFFFAOYSA-N
rxn:4:194579:223254,CC(=O)NCc1cncc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1,UQKHYQUOQBFOPH-UHFFFAOYSA-N
rxn:4:195083:225677,O=[N+]([O-])c1cc(F)cc(-c2ccc(C3CCCCC3)nc2F)c1,BQCYUXRWWRLXAI-UHFFFAOYSA-N
rxn:4:195148:223007,Fc1cc(-c2cc(F)c(N=C=S)c(F)c2)cc(C2CCNCC2)c1,NSTSOTXROCOXKU-UHFFFAOYSA-N
rxn:4:195216:223139,FC(F)(F)c1cncc(-c2ccc(C3CCNCC3)nc2)c1Cl,KJHUNKRWFUOLDI-UHFFFAOYSA-N
rxn:4:195493:225881,Cc1cc(C#N)cc(-c2ccc(C3CCOCC3)nc2F)c1F,JJYBXGACUUOVJA-UHFFFAOYSA-N
rxn:4:196107:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)cc(C)c1N=C=S,PYHUDQHKEMSZEZ-UHFFFAOYSA-N
rxn:4:196189:223200,Clc1cc(C2=NCCO2)ccc1-c1ccc(C2CCNC2)cc1,BIPHOXHYNKLRBE-UHFFFAOYSA-N
rxn:4:196845:227988,Fc1c(-c2ccc(C3CCSCC3)nc2)cccc1C1CC1,PDNWATOBCPDEQV-UHFFFAOYSA-N
rxn:4:196851:227961,Cc1nc(C2CC2)ccc1-c1ccc(C2CCOC2)nc1C,WWAGHQYPEWJLEY-UHFFFAOYSA-N
rxn:4:197017:223311,CN1CC=C(c2ccc(-c3cccc(C4CNC4)c3)cc2)CC1,ZYPKADYJRILNQW-UHFFFAOYSA-N
rxn:4:198287:223005,Cc1c(-c2ccc(C3CCNCC3)c(Cl)c2)cnc(Cl)c1F,VJAOZQYNZYBBTO-UHFFFAOYSA-N
rxn:4:198324:223002,Cc1ncc(-c2ccc(C3CCNCC3)cc2F)c(Cl)c1C,KGGJWNMEZBYGSD-UHFFFAOYSA-N
rxn:4:202161:223864,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(OCc2ccccc2)cc1C(C)C,YKALXFUCGZULQE-UHFFFAOYSA-N
rxn:4:202967:226155,CCCSc1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,GJDJYASBLGEEOV-UHFFFAOYSA-N
rxn:4:203190:228715,Cc1nc(C#N)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,VQTCVRQNTULAMM-UHFFFAOYSA-N
rxn:4:205013:226457,N#CCc1ncc(-c2ccc(C3CCOC3)c(F)c2)cc1Cl,VFGSKCXLRILIGM-UHFFFAOYSA-N
rxn:4:208178:222803,FC(F)(F)c1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)nn1,FVLJWQVBDZGNEJ-UHFFFAOYSA-N
rxn:4:208996:226457,Cc1nc(C2CC2)nc(Cl)c1-c1ccc(C2CCOC2)c(F)c1,NKHCXFKCVHLMFZ-UHFFFAOYSA-N
rxn:4:209766:223312,FC1(F)CCN(c2cccc(-c3ccc(C4CNC4)cc3)n2)CC1,AGFYNWJZLGUNNE-UHFFFAOYSA-N
rxn:4:209785:223311,FC1(F)CCN(c2ccc(-c3cccc(C4CNC4)c3)cn2)CC1,UJSDZSMUBNEXKB-UHFFFAOYSA-N
rxn:4:173871:223327,COc1cc(OCC(F)(F)C(F)F)ccc1-c1ccc2nc(C)[nH]c2c1,BFNDAROSNIUDMM-UHFFFAOYSA-N
rxn:4:177863:222405,COC(=O)c1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2)cc1,RUGZZVFDMYAOQE-UHFFFAOYSA-N
rxn:4:179114:223240,COc1cc(-c2ccc(C3CCNC3)nc2)cc(F)c1C(F)F,MGQYNEOZNHCYSN-UHFFFAOYSA-N
rxn:4:179195:223200,CCC(=O)c1ccc(-c2ccc(C3CCNC3)cc2)c(Cl)c1,COZPEWIROQYPNB-UHFFFAOYSA-N
rxn:4:180052:225342,CN(C)C(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc([N+](=O)[O-])c1,SVKGCMSVXQQXLV-UHFFFAOYSA-N
rxn:4:181264:223239,FS(F)(F)(F)(F)c1cc(Cl)cc(-c2cncc(C3CCCN3)c2)c1,LJNCAGUWXPIYCM-UHFFFAOYSA-N
rxn:4:181309:223002,Cc1cc(C(F)F)ccc1-c1ccc(C2CCNCC2)cc1F,AVYIOJQRXOOWJG-UHFFFAOYSA-N
rxn:4:181624:223311,Clc1cc(-c2cccc(C3CNC3)c2)ccc1C1OCCO1,GHEYBGJFWWXXCS-UHFFFAOYSA-N
rxn:4:182590:223000,Cc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(C)c1F,YUPZJXYPXJOUDA-UHFFFAOYSA-N
rxn:4:186318:224386,CCCOc1cc(C)c([N+](=O)[O-])cc1-c1cnc(-c2cccc(C(F)(F)F)c2)nc1,XPMKJCCXMPBJAL-UHFFFAOYSA-N
rxn:4:186807:226821,O=C(c1cc(OC(F)F)cc(-c2ccc(-c3cscn3)nc2F)c1)N1CCOCC1,UAUJLFBPRKPLHU-UHFFFAOYSA-N
rxn:4:188119:223199,FC(F)COc1ccc(-c2cccc(C3CCNC3)c2)cn1,XFMBSSFMEJOZFK-UHFFFAOYSA-N
rxn:4:192086:223200,N#CC1(c2ccc(-c3ccc(C4CCNC4)cc3)cc2F)CC1,SKIHVEZQSVOGEY-UHFFFAOYSA-N
rxn:4:194579:223130,OC1CN(Cc2ccc(-c3ccc(-c4cc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)cc3)cc2)C1,NDCBJSSQRBLPGC-UHFFFAOYSA-N
rxn:4:194879:223005,FC(F)c1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)o1,MHGVGADQPZHSNL-UHFFFAOYSA-N
rxn:4:194989:223005,N#Cc1cc(F)c(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)c1,RIELJZSJJKKQMM-UHFFFAOYSA-N
rxn:4:195075:223002,O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C2CCNCC2)cc1F,MRQDNIIHKBJVHY-UHFFFAOYSA-N
rxn:4:195076:223002,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1Cl,OUFXYALQNCUNTC-UHFFFAOYSA-N
rxn:4:195078:225674,O=[N+]([O-])c1cc(Cl)cc(-c2cnc(C3CCCCC3)cc2F)c1,NDZJTKAOJWYKNS-UHFFFAOYSA-N
rxn:4:195196:223200,FC(F)(F)c1cc(-c2ccc(C3CCNC3)cc2)cnc1Cl,YBPLFAJRKDAWQU-UHFFFAOYSA-N
rxn:4:195544:223000,Cc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)c(F)c1,AJWBOHKNWSNTJM-UHFFFAOYSA-N
rxn:4:196285:227381,CC1(c2cncc(-c3cnc(C4CCCC4)nc3)c2)CC1(F)F,ICZAUHJLGVWTHK-UHFFFAOYSA-N
rxn:4:196501:227625,c1cc(C2CCSC2)cc(-c2cnc(C3CCCO3)nc2)n1,OZMUASDUPWXQQM-UHFFFAOYSA-N
rxn:4:196866:227832,Cc1cc(C2CC2)ccc1-c1ccc(C2CCCOC2)nc1F,UAXRSELNJRHESR-UHFFFAOYSA-N
rxn:4:196884:227793,O=[N+]([O-])c1cc(-c2c(F)cc(N3CCOCC3)cc2F)c(F)cc1Cl,UGXGPKPGJMSPEA-UHFFFAOYSA-N
rxn:4:197047:226446,Cc1cc(N2CCCCC2)ccc1-c1ccc(C2CCOC2)nc1C,DBBPDQKQYLSHQD-UHFFFAOYSA-N
rxn:4:203190:228578,FC1(F)CC(COc2ncc(-c3ccc(C4CC4)nc3)cn2)C1,GFOQHHVGHZWNMO-UHFFFAOYSA-N
rxn:4:205037:226946,CN1CCc2cc(-c3cc([N+](=O)[O-])cc(F)c3C#N)ccc2C1,WOPSZRVYYNQCJL-UHFFFAOYSA-N
rxn:4:205173:224013,COc1cc([N+](=O)[O-])cnc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1Cl,SITUUFNUFWUQLG-UHFFFAOYSA-N
rxn:4:205689:228514,Clc1nc(OC2CCOC2)ncc1-c1cccc(C2CC2)c1,WKYXTJLPISDMJI-UHFFFAOYSA-N
rxn:4:207613:223359,CNCc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1F,DTLURQXRXBLPDJ-UHFFFAOYSA-N
rxn:4:208994:226321,Cc1nc(C2CC2)ncc1-c1ccc(SC2CCCC2)nc1,DFQWSASWBFOAAZ-UHFFFAOYSA-N
rxn:4:211205:222803,Cc1cnc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,TVVAWUBGFVGURD-UHFFFAOYSA-N
rxn:4:225242:185754,Fc1ccc(-c2cc(-c3cncc(OC(C(F)(F)F)C(F)(F)F)c3)cnc2Cl)cc1,IQDHOVNSTHXGOK-UHFFFAOYSA-N
rxn:4:225835:185754,Fc1ccc(-c2ncc(-c3cncc(OC(C(F)(F)F)C(F)(F)F)c3)cn2)cc1,RHADFLHLNABAAK-UHFFFAOYSA-N
rxn:4:176380:223280,Fc1cc(OCC(F)F)cc(-c2cnc(C3CCNC3)nc2)c1,PFMCZEJVCLIRBA-UHFFFAOYSA-N
rxn:4:177678:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(F)cc4)c(OC(F)(F)F)c3)c2)N1,OOIGTEDPPVVAQZ-UHFFFAOYSA-N
rxn:4:179347:223200,CC(c1ccc(-c2ccc(C3CCNC3)cc2)cc1)C(F)F,MAIMIAFAWNARJF-UHFFFAOYSA-N
rxn:4:180096:222405,O=C1NC(=O)C(c2cccc(-c3ccc(OC4CCCC4)c(Cl)c3)c2)N1,HJBWQNMTWKINSX-UHFFFAOYSA-N
rxn:4:180949:223166,FC(F)c1cccc(-c2ccc(N3CCNCC3)nc2)c1Cl,FQJAGFANKCCBRH-UHFFFAOYSA-N
rxn:4:181721:222408,CNC(=O)Nc1ccc(-c2ccc(C3CC(F)(F)C3)cc2)cc1C,JKTFBJWPWOWCDD-UHFFFAOYSA-N
rxn:4:182074:222405,Cc1cc(-c2cccc(C3NC(=O)NC3=O)c2)ccc1-c1cc(F)ccc1C,KUCXVXVIYGFHHW-UHFFFAOYSA-N
rxn:4:191828:222998,COc1nc(C(F)(F)F)ccc1-c1cc(F)cc(C2CCCNC2)c1,KLCXWVPHIMTMBO-UHFFFAOYSA-N
rxn:4:192580:228736,COc1nc(C)ccc1-c1cnc(OC2CCSC2)c(F)c1,BNCJWAVZIMEGFM-UHFFFAOYSA-N
rxn:4:192876:228216,COc1cc(-c2cncc(C3CC3)c2Cl)cnc1C1CCC1,DOIQMYSGAQAWII-UHFFFAOYSA-N
rxn:4:193502:226814,O=C(c1cc(F)c(F)c(-c2cnc(-c3ccco3)nc2Cl)c1)N1CCCCC1,MKKNKFNVAPFRQH-UHFFFAOYSA-N
rxn:4:194517:223197,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(CNC5CC5)cc4)cc3)nc2c1,LQHDAGVIHQDAAU-UHFFFAOYSA-N
rxn:4:194583:225300,CCc1c(C)nc2cc(-c3ccc(OC4CCOCC4)nc3F)ccc2c1CC,ZFHKCMJYYACVHL-UHFFFAOYSA-N
rxn:4:195068:223004,Fc1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1N=C=S,HNOJFSTXJBTIOW-UHFFFAOYSA-N
rxn:4:195155:223200,O=[N+]([O-])c1cc(Cl)c(F)cc1-c1ccc(C2CCNC2)cc1,VPSSNLUOIBOQJB-UHFFFAOYSA-N
rxn:4:195600:223241,Cc1cc(N=C=S)c(F)cc1-c1cncc(C2CCNC2)c1,KGQKJRZKKPAUGC-UHFFFAOYSA-N
rxn:4:195600:227432,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2COC2)nc1C,SIYAWGDHRJAUNM-UHFFFAOYSA-N
rxn:4:195613:227278,Cc1c(Cl)cc([N+](=O)[O-])cc1-c1ccc(C2(C#N)CC2)nc1,GNLMRPRHGZXWCC-UHFFFAOYSA-N
rxn:4:195704:223147,Cc1c(F)c(-c2ccc(C3CNCCO3)cc2)cc([N+](=O)[O-])c1F,BNHBQPSGJSALRU-UHFFFAOYSA-N
rxn:4:195862:226572,FC1(F)CC1c1cncc(-c2cnc(OC3CCCC3)nc2)c1,OIJRPUKYKLTBJZ-UHFFFAOYSA-N
rxn:4:196207:223200,c1cc(C2CCNC2)ccc1-c1cnc(C2CCCC2)s1,WAIYLSAYKIMPRS-UHFFFAOYSA-N
rxn:4:196226:226457,Cc1cc(C2CC2)ncc1-c1ccc(C2CCOC2)c(F)c1,YXJXBTAJKLJWFP-UHFFFAOYSA-N
rxn:4:196845:223307,c1cc(C2CCSCC2)ncc1-c1ccc2c(c1)CCNC2,DSCZFXPEIIHRJQ-UHFFFAOYSA-N
rxn:4:197441:225674,CC(=O)c1c[nH]c2cc(-c3cnc(C4CCCCC4)cc3F)cc(F)c12,SBYYHLCCFRHYTQ-UHFFFAOYSA-N
rxn:4:198150:222803,Fc1nc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)ccc1Cl,YOBZXBSFTBWIEG-UHFFFAOYSA-N
rxn:4:202836:223200,N#Cc1c(OC(F)(F)F)ccnc1-c1ccc(C2CCNC2)cc1,QRLQMICLRKMHBB-UHFFFAOYSA-N
rxn:4:204977:223004,Fc1cc(-c2ncc(OC(F)F)cn2)ccc1C1CCNCC1,QGFCGHHZEGRCKI-UHFFFAOYSA-N
rxn:4:205660:225706,CC(C)n1cnc2cc(-c3cnc(OC4CCSC4)nc3)c(F)cc21,AXQUVUAHKDYAKN-UHFFFAOYSA-N
rxn:4:206197:226336,Cc1nc(OC2CCOC2)ncc1-c1cc(C#N)c(C2CC2)cc1Cl,LSAATJOQYFRSJG-UHFFFAOYSA-N
rxn:4:208261:222656,C#Cc1ncc(-c2ccc(C(=O)NC3CCCCC3)c(F)c2)c(C)n1,BRQZDXBGXQQEEX-UHFFFAOYSA-N
rxn:4:208261:225883,C#Cc1ncc(-c2cnc(C3CCOCC3)c(Cl)c2)c(C)n1,SQPAWIFYLSCPTQ-UHFFFAOYSA-N
rxn:4:208339:223065,Fc1cc(N2CCNCC2)ccc1-c1cnc(S(F)(F)(F)(F)F)nc1,ILNROVJQCDSDLQ-UHFFFAOYSA-N
rxn:4:209796:223312,Fc1cc(-c2ccc(C3CNC3)cc2)cnc1N1CCC(F)(F)CC1,AXLJDYMWUIMMOR-UHFFFAOYSA-N
rxn:4:209963:225683,Cc1nc(C2CCCOC2)ccc1-c1cc([N+](=O)[O-])cc2cc[nH]c12,UMDNMHQGAVTGCO-UHFFFAOYSA-N
rxn:4:218144:224705,CC1CCN(c2ccc(-c3cc(F)cc4nn[nH]c34)c(F)c2F)CC1,JPCCPOAGLYCRDJ-UHFFFAOYSA-N
rxn:4:224390:188583,CC(=O)CC(=O)c1cncc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1,ARIKSBGBYVQJCM-UHFFFAOYSA-N
rxn:4:178636:223199,FC(F)(F)Sc1ccc(-c2cccc(C3CCNC3)c2)cc1,IHFXXPXJCYXVRJ-UHFFFAOYSA-N
rxn:4:179083:223311,Cc1cc(OC(F)F)c(F)cc1-c1cccc(C2CNC2)c1,BIYZHWIXORDSOO-UHFFFAOYSA-N
rxn:4:179733:226572,CC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)cc(C(C)(F)F)c1,IWSQPPVTYHIOFL-UHFFFAOYSA-N
rxn:4:180901:223147,C#Cc1ccc(-c2ccc(C3CNCCO3)cc2)c(F)c1F,RROCMECYBUZNKZ-UHFFFAOYSA-N
rxn:4:181016:223240,Fc1cc(-c2ccc(C3CCNC3)nc2)c(Cl)cc1C(F)(F)F,MEBNPICOJKXFND-UHFFFAOYSA-N
rxn:4:181263:225881,CC(=O)c1c(F)cc(-c2ccc(C3CCOCC3)nc2F)c(F)c1F,JPUQHXKAPHIANM-UHFFFAOYSA-N
rxn:4:181992:225900,Cc1c(-c2cc([N+](=O)[O-])ccc2CN(C)C)ccc(-c2ccc(Cl)cc2)c1F,MKIAIWGZHCRFSJ-UHFFFAOYSA-N
rxn:4:182535:223062,Cc1c(-c2cnc(C3CCNCC3)cc2F)ccc(F)c1Cl,AFEYOGRLUJGPGO-UHFFFAOYSA-N
rxn:4:185749:227299,CN(C)Cc1cc(F)cc(-c2cc(OC(C(F)(F)F)C(F)(F)F)ccn2)c1,FPOMKBMVXAVDFG-UHFFFAOYSA-N
rxn:4:188746:223311,FC1(F)CC1COc1ccc(-c2cccc(C3CNC3)c2)nc1,CWTFTDBDHMNIDE-UHFFFAOYSA-N
rxn:4:188850:226155,CCOC(=O)c1cc(C)c(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,AWCSMKPWDVEEEM-UHFFFAOYSA-N
rxn:4:189307:228247,CC(=O)c1ccc(F)c(-c2ccc(C(=O)OC(C)C)nc2C)c1,NGRADNJYQVJTJU-UHFFFAOYSA-N
rxn:4:191360:225881,N#CCc1cc(-c2ccc(C3CCOCC3)nc2F)c(F)cc1Cl,DGQUXRSHKRFHKE-UHFFFAOYSA-N
rxn:4:192864:223307,c1ncc(-c2ccc3c(c2)CCNC3)cc1OC1CCCC1,DKSIGVZMJWQSNF-UHFFFAOYSA-N
rxn:4:194871:223004,Fc1cc(-c2cnc(C(F)F)s2)ccc1C1CCNCC1,WAHAGALDVFJJML-UHFFFAOYSA-N
rxn:4:195066:226276,COc1ccc(-c2ccc(N=C=S)cc2F)cc1CN(C)C,XLIZUVSMRXKCNP-UHFFFAOYSA-N
rxn:4:195076:223004,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1Cl,YKKUJAPXJIPWAR-UHFFFAOYSA-N
rxn:4:195150:223002,Fc1cc(C2CCNCC2)ccc1-c1c(F)cc(N=C=S)cc1F,PNGQYNPAQOXJBP-UHFFFAOYSA-N
rxn:4:195157:223200,O=[N+]([O-])c1cc(-c2ccc(C3CCNC3)cc2)cc(Cl)c1F,QYCMTNUOMWDYMK-UHFFFAOYSA-N
rxn:4:195791:226382,Clc1cc(C2CC2)ncc1-c1cnc(C2CCCCC2)nc1,KYORSCXIHPAVHW-UHFFFAOYSA-N
rxn:4:196118:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)c(C)c([N+](=O)[O-])c1,HZGHGOPCKBEQCD-UHFFFAOYSA-N
rxn:4:196227:226525,CCCOc1ccc(-c2cncc(C3CC3)c2C)c(F)c1F,PNRCCDUQPYSZMC-UHFFFAOYSA-N
rxn:4:196246:223240,Fc1c(-c2ccc(C3CCNC3)nc2)ccnc1C1CCC1,IXLZGRQRNSRJTK-UHFFFAOYSA-N
rxn:4:196666:226446,Cc1nc(C2CCC2)ccc1-c1ccc(C2CCOC2)nc1C,QOZGDFSLQFLFDO-UHFFFAOYSA-N
rxn:4:196816:226155,CC(=O)c1cc(-c2ccc(C3CCOCC3)cn2)cc(C2CC2)c1,NTEXWICJMCTCRQ-UHFFFAOYSA-N
rxn:4:198203:222803,[O-][n+]1cc(F)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,FPKITIGLHLPLIQ-UHFFFAOYSA-N
rxn:4:203190:227927,CCC(=O)c1cccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,NELBIYKIOFZYJI-UHFFFAOYSA-N
rxn:4:205660:228306,CC(C)Sc1ncc(-c2cnc(OC3CCSC3)nc2)cn1,YZFHCEKDQIRKEK-UHFFFAOYSA-N
rxn:4:205988:225456,CN1CCC(c2ccc(-c3ncc(-c4cccc(C(F)(F)F)c4)cn3)cc2)CC1,XYHUFYQWMSENCK-UHFFFAOYSA-N
rxn:4:208113:222803,N#[N+]c1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1,QBPROICDUGPSDZ-UHFFFAOYSA-N
rxn:4:208379:225674,Fc1cc(C2CCCCC2)ncc1-c1cn(C2CC2)c(F)n1,AXSUUCAXHJWQFW-UHFFFAOYSA-N
rxn:4:209948:225336,N#Cc1cc(-c2ccc(COCC(F)(F)F)cc2F)c2[nH]ccc2c1,NUTJDZLGYZTFDX-UHFFFAOYSA-N
rxn:4:209963:225566,CC1(COc2ccc(-c3cc([N+](=O)[O-])cc4cc[nH]c34)cc2)COC1,RYBLEUNIDPGKQF-UHFFFAOYSA-N
rxn:4:209963:225739,CCCCOc1c(F)cc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)cc1F,MDBSVPPXHHVVQX-UHFFFAOYSA-N
rxn:4:210660:223312,CC12CC(c3ncc(-c4ccc(C5CNC5)cc4)cn3)(C1)C2,NXRAYQAIKYNFSZ-UHFFFAOYSA-N
rxn:4:211330:222803,FC(F)(F)c1cc(-c2cnc3oc(Cl)nc3c2)ccc1C1CCNC1,NCFSGDBAJVNIKP-UHFFFAOYSA-N
rxn:4:178735:223002,O=C(c1ccc(-c2ccc(C3CCNCC3)cc2F)c(Cl)c1)C(F)F,DCSWRMYTMMKCOB-UHFFFAOYSA-N
rxn:4:180901:222998,C#Cc1ccc(-c2cc(F)cc(C3CCCNC3)c2)c(F)c1F,FTDXCGXRNSXNRB-UHFFFAOYSA-N
rxn:4:180953:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1,SJEFEFCYWYYISA-UHFFFAOYSA-N
rxn:4:181334:223002,Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNCC2)cc1F,IWBYJHISPFYPMY-UHFFFAOYSA-N
rxn:4:181496:223200,FC1(F)CC1(F)c1ccc(-c2ccc(C3CCNC3)cc2)cc1,ANDHUUNJUVHOFJ-UHFFFAOYSA-N
rxn:4:182042:223312,c1cc(C2CCCCC2)ccc1-c1ccc(C2CNC2)cc1,IZCIOKMKKUDRAR-UHFFFAOYSA-N
rxn:4:182525:223002,Cc1c(F)ccc(-c2ccc(C3CCNCC3)cc2F)c1Cl,MONPUNQNEKEIDW-UHFFFAOYSA-N
rxn:4:182526:222985,Cc1cc(Cl)c(F)cc1-c1ccc(C2CCCNC2)nc1C,NKTOXNSMTKUYLM-UHFFFAOYSA-N
rxn:4:182558:223000,Cc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(F)c1F,CNWWKCAMBIWAHQ-UHFFFAOYSA-N
rxn:4:182564:223142,Cc1cc(F)c(-c2ccc(C3CCCNC3)nc2)c(Cl)c1F,SFRDMWIUSOORHI-UHFFFAOYSA-N
rxn:4:183178:223312,CC1(C)CCc2oc(-c3ccc(C4CNC4)cc3)cc2C1=O,AXPSBFRXJLXRMV-UHFFFAOYSA-N
rxn:4:188746:228179,COCc1cc(F)cc(-c2ccc(OCC3CC3(F)F)cn2)c1,BQXYJOWMIGRCTG-UHFFFAOYSA-N
rxn:4:191376:225881,C#Cc1cc(-c2ccc(C3CCOCC3)nc2F)cc([N+](=O)[O-])c1,FBIQCJXERLGGJF-UHFFFAOYSA-N
rxn:4:191635:223312,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)cc2)c(F)cc1C(F)(F)F,DBASYWXRLXAJOX-UHFFFAOYSA-N
rxn:4:192580:228818,Cc1cc(-c2cnc(OC3CCSC3)c(F)c2)cn(C)c1=O,MRTRXRDJWIWSNK-UHFFFAOYSA-N
rxn:4:193070:224331,Cc1ccc(C(=O)N2CC(F)C2)cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,DJDXGRAXBIPHLG-UHFFFAOYSA-N
rxn:4:194517:223185,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4cnc(C5CNCCO5)nc4)cc3)nc2c1,ZJFVPHAHGKBXMV-UHFFFAOYSA-N
rxn:4:194976:223005,N#Cc1cc(Cl)cc(F)c1-c1ccc(C2CCNCC2)c(Cl)c1,IOEJSCGONXPOPM-UHFFFAOYSA-N
rxn:4:195045:223004,Fc1cc(-c2cc(C(F)F)ccn2)ccc1C1CCNCC1,DWVZYCMLUNTTTE-UHFFFAOYSA-N
rxn:4:195157:227419,O=[N+]([O-])c1cc(-c2ccc(C3CCC3)nc2F)cc(Cl)c1F,BTZVZXCZGPXUSR-UHFFFAOYSA-N
rxn:4:195496:223007,Fc1cc(-c2ccc(S(F)(F)(F)(F)F)nc2)cc(C2CCNCC2)c1,BRSCIDSAMMLTMQ-UHFFFAOYSA-N
rxn:4:195599:223142,Cc1cc(-c2ccc(C3CCCNC3)nc2)c(Cl)cc1N=C=S,HTUIRVVNPHHPGX-UHFFFAOYSA-N
rxn:4:196244:223200,Fc1cnc(C2CCC2)cc1-c1ccc(C2CCNC2)cc1,XSCSGNMOZSTTHE-UHFFFAOYSA-N
rxn:4:201359:225316,N#Cc1cc(-c2cnc(-c3cccc(F)c3)nc2Cl)cnc1OCC1CCC1,ABEDKSOWHVEJHU-UHFFFAOYSA-N
rxn:4:202832:223200,N#CSc1ccc(-c2ccc(C3CCNC3)cc2)cc1[N+](=O)[O-],DCPUJPHQTPQEOY-UHFFFAOYSA-N
rxn:4:202978:226895,O=C([O-])[CH+]C=Cc1ncc(-c2cc(F)c(C(F)(F)F)cc2F)cn1,OSXJYGAWBVLSDV-UHFFFAOYSA-N
rxn:4:203190:226462,CCn1cnc2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)c(F)cc21,LZSPEXUIIBIFPA-UHFFFAOYSA-N
rxn:4:205689:226336,N#Cc1cc(-c2cnc(OC3CCOC3)nc2Cl)c(Cl)cc1C1CC1,PTROTYSJMXPQTA-UHFFFAOYSA-N
rxn:4:205979:223041,O=C(NC1CC1)c1ccc(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)cn2)c1,CNMVVPUGMHQJSW-UHFFFAOYSA-N
rxn:4:205990:224372,O=C(c1cc(-c2ncc(-c3ccc(C(F)(F)F)cc3)cn2)cc([N+](=O)[O-])c1)N1CCCC1,MWWULJZCYUAMRR-UHFFFAOYSA-N
rxn:4:206000:224755,O=C(c1ccc(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1)N1CCOCC1,LWMIGDHSNJGHNH-UHFFFAOYSA-N
rxn:4:208302:225677,Cc1nc(C#N)ccc1-c1ccc(C2CCCCC2)nc1F,PDTMJRQWEPCIJW-UHFFFAOYSA-N
rxn:4:209785:223306,FC1(F)CCN(c2ccc(-c3ccc4c(c3)CNCC4)cn2)CC1,WCYSZWSRJYTVBA-UHFFFAOYSA-N
rxn:4:210431:226457,Fc1cc(-c2cnc(C34CC(C3)C4)nc2)ccc1C1CCOC1,DWZGFXNMHUFDQQ-UHFFFAOYSA-N
rxn:4:210434:225852,Cc1c[nH]c2cc(-c3cnc(C4CCCCC4)nc3Cl)cc([N+](=O)[O-])c12,AVBPPYBHIYNHEH-UHFFFAOYSA-N
rxn:4:214082:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,AMWCJXJDVMJPQS-WXUXXXNLSA-N
rxn:4:217311:224959,O=[N+]([O-])c1cc(-c2ccc(OCC3CCCCO3)cc2)c2[nH]ncc2c1,QEYKVIDZWLMGKA-UHFFFAOYSA-N
rxn:4:178731:223241,C#Cc1cc(C(F)(F)F)ccc1-c1cncc(C2CCNC2)c1,MJVWNDUHMTZXTC-UHFFFAOYSA-N
rxn:4:178771:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)ccc1C#CC(F)(F)F,DXNUHOBMJGCBSB-UHFFFAOYSA-N
rxn:4:179034:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)ccc1OC(F)F,PFVCDMHKVFREEM-UHFFFAOYSA-N
rxn:4:180084:227625,CC(=O)c1cc(-c2cnc(C3CCCO3)nc2)cc(C(C)C)c1,BLBAVCTUMSGUGM-UHFFFAOYSA-N
rxn:4:180898:223147,C#Cc1cc(F)c(-c2ccc(C3CNCCO3)cc2)cc1Cl,JUDJSIMUALOYGE-UHFFFAOYSA-N
rxn:4:180958:223184,Fc1cc(-c2cnc(N3CCNCC3)nc2)ccc1C(F)F,ZNQUGLCVYMGGTN-UHFFFAOYSA-N
rxn:4:181212:225923,CC(=O)c1ccc(F)c(-c2cnc(OC3CCCC3)nc2Cl)c1,PYTKEFBBKGLVFV-UHFFFAOYSA-N
rxn:4:182005:223241,c1cc(C2CCCCO2)ccc1-c1cncc(C2CCNC2)c1,ZYQAAZZRFUSWNA-UHFFFAOYSA-N
rxn:4:182567:223200,Cc1c(F)c(F)c(F)c(F)c1-c1ccc(C2CCNC2)cc1,FBBHLWRAKFBIND-UHFFFAOYSA-N
rxn:4:191260:223002,C#Cc1cc(-c2ccc(C3CCNCC3)cc2F)cc(C#C)n1,CMPVNOKOZSHAEM-UHFFFAOYSA-N
rxn:4:191289:223199,FC(F)(F)Oc1ccc(-c2cccc(C3CCNC3)c2)cn1,JMOKONLQYCTSFB-UHFFFAOYSA-N
rxn:4:195062:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(N=C=S)cc1Cl,JXQPINVLEPWRSU-UHFFFAOYSA-N
rxn:4:195150:225300,Fc1cc(N=C=S)cc(F)c1-c1ccc(OC2CCOCC2)nc1F,YWXOPHLMLASQML-UHFFFAOYSA-N
rxn:4:195599:223147,Cc1cc(-c2ccc(C3CNCCO3)cc2)c(Cl)cc1N=C=S,YXPLBWXRETUPTJ-UHFFFAOYSA-N
rxn:4:195600:227023,Cc1cc(N=C=S)c(F)cc1-c1ccc(C(C)N(C)C)cc1,VLWBFPAEKIQFRZ-UHFFFAOYSA-N
rxn:4:195607:225318,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1c(F)cc(N2CCOCC2)cc1F,JQVHPSVOXGERKJ-UHFFFAOYSA-N
rxn:4:195693:223000,Cc1cc(C(F)(F)F)ncc1-c1ccc(C2CCCNC2)c(F)c1,MUWJRNWRLCMAEH-UHFFFAOYSA-N
rxn:4:195808:225802,Fc1nc(OC2CCCC2)ccc1-c1nccc(C2CC2)c1F,ITSVDLJFXQKWKF-UHFFFAOYSA-N
rxn:4:196163:227625,Cc1ncc(-c2cnc(C3CCCO3)nc2)cc1C(C)(F)F,AJTHZGWFNPNDRD-UHFFFAOYSA-N
rxn:4:196241:227381,Clc1cc(C2CCC2)ncc1-c1cnc(C2CCCC2)nc1,BPRZMMUOWRPLFP-UHFFFAOYSA-N
rxn:4:196851:228365,Cc1nc(C2CCOC2)ccc1-c1cnc(C2CC2)nc1Cl,BPLIUZDHQZANLU-UHFFFAOYSA-N
rxn:4:198287:222803,Cc1c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cnc(Cl)c1F,PPSHGPFUHPDDKK-UHFFFAOYSA-N
rxn:4:202860:223200,FC(F)(F)COc1ncc(-c2ccc(C3CCNC3)cc2)cn1,LGRNNMNMHWIPQP-UHFFFAOYSA-N
rxn:4:203146:228013,Fc1ccc(-c2cnc(OCC3CCC3)cn2)cc1C1CC1,CVLNVVSQKITELR-UHFFFAOYSA-N
rxn:4:203146:228021,CC(=O)c1cc(C)cc(-c2cnc(OCC3CCC3)cn2)c1,LPJNWZXVIORGCJ-UHFFFAOYSA-N
rxn:4:203154:227961,Cc1nc(C2CC2)ccc1-c1cnc(OCC2CCC2)nc1,QKHVVDZHDTZACI-UHFFFAOYSA-N
rxn:4:204091:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3C)cc2)CC1,VGOKPNADEKWJEF-FBSWEULCSA-N
rxn:4:206526:228247,CC(=O)c1ccc(F)c(-c2cnc(OC3CCC(F)(F)CC3)nc2)c1,ICTISJHTTKVFJC-UHFFFAOYSA-N
rxn:4:207613:224833,FC(F)(F)c1cc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc(-c2ncon2)c1,PRTMDVLPHVKPHR-UHFFFAOYSA-N
rxn:4:208261:224596,C#Cc1ncc(-c2ccc(N3CCCCC3C)cc2OC)c(C)n1,UVBBRARFMDQDSR-UHFFFAOYSA-N
rxn:4:209745:223312,Cc1cc(N2CCCC2)ncc1-c1ccc(C2CNC2)cc1,XTHVXTQYWHZKNE-UHFFFAOYSA-N
rxn:4:209796:223306,Fc1cc(-c2ccc3c(c2)CNCC3)cnc1N1CCC(F)(F)CC1,DRMLQAHPEOKALE-UHFFFAOYSA-N
rxn:4:211228:222803,Cc1nc(Cl)ncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,OBOABDGWNPYYHH-UHFFFAOYSA-N
rxn:4:211345:222803,Fc1cc2nnsc2cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,RURHGDCVTXGNRV-UHFFFAOYSA-N
rxn:4:222623:175939,CCC(C)c1cc(-c2ccc(COC3CCCCO3)cc2OC)cc(C2CCNCC2)n1,BJOXCKKJIGTRSL-UHFFFAOYSA-N
rxn:4:222984:192843,OC1CCN(Cc2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4F)nc3)cc2)C1,KZXCFMGQRJUAAA-UHFFFAOYSA-N
rxn:4:176345:223240,C#Cc1cc(OC(F)(F)F)ccc1-c1ccc(C2CCNC2)nc1,WANOGXIQAHZUNU-UHFFFAOYSA-N
rxn:4:176440:223239,FC(F)(F)C(F)(F)Oc1cccc(-c2cncc(C3CCCN3)c2)c1Cl,FUATUTLYJCRRTB-UHFFFAOYSA-N
rxn:4:176440:223241,FC(F)(F)C(F)(F)Oc1cccc(-c2cncc(C3CCNC3)c2)c1Cl,GECCJVVIJUZTDO-UHFFFAOYSA-N
rxn:4:180942:223119,C#CCNC(=O)c1cccc(-c2ccc(Cl)c(C(F)F)c2)c1,OCISYDASHZXWOD-UHFFFAOYSA-N
rxn:4:181258:223064,Fc1nc(C2CCNCC2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1,KVYLNQMBBIROKI-UHFFFAOYSA-N
rxn:4:181532:223000,CC1(c2ccc(F)c(-c3ccc(C4CCCNC4)c(F)c3)c2)CO1,SRJFHEQXZUCKLU-UHFFFAOYSA-N
rxn:4:181996:223062,Cc1cc(-c2cnc(C3CCNCC3)cc2F)c(F)cc1-c1ccc(F)cc1,DKWCCSDXANEMIH-UHFFFAOYSA-N
rxn:4:182001:223200,c1cc(-c2ccc(C3CCNC3)cc2)cc(C2CCOCC2)c1,MATWXZBRNOJCGF-UHFFFAOYSA-N
rxn:4:182367:223241,O=C1c2cc(-c3cncc(C4CCNC4)c3)ccc2CC12CCC(C(F)F)CC2,VXQSNNJSLWVMNO-UHFFFAOYSA-N
rxn:4:189525:228247,CC(=O)c1ccc(F)c(-c2ccc(OCC3CCCC3)nc2)c1,NLWIZOJNAVBOAZ-UHFFFAOYSA-N
rxn:4:191280:223199,FC(F)Oc1cnc(-c2cccc(C3CCNC3)c2)c(Cl)c1,OWWBKZGARFBFSJ-UHFFFAOYSA-N
rxn:4:191387:223142,N#Cc1cc(C(F)F)ccc1-c1ccc(C2CCCNC2)nc1,XCRHHJKKNBBYOO-UHFFFAOYSA-N
rxn:4:191405:223200,N#Cc1cc(-c2ccc(C3CCNC3)cc2)ccc1C(F)(F)F,ZLUXABNYUGHZHQ-UHFFFAOYSA-N
rxn:4:194517:225456,CN1CCC(c2ccc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)cc2)CC1,RCVLBMRZXORZRF-UHFFFAOYSA-N
rxn:4:195006:223004,N#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)c(F)c2)c(F)c1F,FDHZDYRLTSNJOX-UHFFFAOYSA-N
rxn:4:195151:223001,Fc1ccc(C2CCCNC2)cc1-c1ccc(N=C=S)c(F)c1F,ZYKFBXDZRMGSHF-UHFFFAOYSA-N
rxn:4:195186:222990,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(N3CCC(O)CC3)cc2)c1,SELAZJOOXYJNNU-UHFFFAOYSA-N
rxn:4:195280:223005,COc1nc(C)c(-c2ccc(C3CCNCC3)c(Cl)c2)s1,BNDBQSZDQAXORN-UHFFFAOYSA-N
rxn:4:195792:226414,Clc1c(-c2ccc(C3=NCCCO3)cc2)cncc1C1CC1,GDAXJARLLZUJPH-UHFFFAOYSA-N
rxn:4:196285:228238,CC(C)c1ncc(-c2cncc(C3(C)CC3(F)F)c2)cc1Cl,DERCVQRFHWZFIA-UHFFFAOYSA-N
rxn:4:196501:223200,c1cc(C2CCSC2)cc(-c2ccc(C3CCNC3)cc2)n1,BOHHZIZARVFLHT-UHFFFAOYSA-N
rxn:4:198289:222803,Cc1c(Cl)ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c1F,NCJJHVSOFGREID-UHFFFAOYSA-N
rxn:4:203190:227961,Cc1nc(C2CC2)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,UDXVAQMQHUCQIZ-UHFFFAOYSA-N
rxn:4:205264:223966,Cc1cc([N+](=O)[O-])cc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c1C#N,CCYBYBHXZKPJPK-UHFFFAOYSA-N
rxn:4:205660:227668,COc1c(F)cc(-c2cnc(OC3CCSC3)nc2)c(C)c1F,PHDUBCIWSGYPQU-UHFFFAOYSA-N
rxn:4:205660:227962,Cc1cc(-c2cnc(OC3CCSC3)nc2)cc(C2CC2)n1,HIIAHICACMDLOT-UHFFFAOYSA-N
rxn:4:206000:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,YIRFCXATKFHQFR-UHFFFAOYSA-N
rxn:4:208227:222925,COc1nc(Cl)cnc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,KGLHGBSOFHEJPU-UHFFFAOYSA-N
rxn:4:208261:224247,C#Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c(C)n1,CDZNEJLLBCCLHP-UHFFFAOYSA-N
rxn:4:208261:224780,C#Cc1ncc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)c(C)n1,AVASFYQLBVHIES-UHFFFAOYSA-N
rxn:4:208302:222803,Cc1nc(C#N)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,NNEOGUDJRQSZRY-UHFFFAOYSA-N
rxn:4:208316:225191,Cc1nc(Cl)c(-c2cnc(OC3CCCCC3)cc2F)cc1C#N,TWVQYMOXHKSTEH-UHFFFAOYSA-N
rxn:4:209435:226155,CC(=O)c1cc(-c2cnc(C3CCCC3)cn2)cc(C2CC2)c1,WZTQYJXHPRXCTO-UHFFFAOYSA-N
rxn:4:211349:222803,FC(F)(F)c1cc(-c2coc3c(Cl)ncnc23)ccc1C1CCNC1,NSDONNQORHDVAH-UHFFFAOYSA-N
rxn:4:212745:223724,CCCC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,LFTYLGOMQJQLJN-UHFFFAOYSA-N
rxn:4:217338:225766,CCCOc1c(F)cc(-c2cc([N+](=O)[O-])cc3[nH]ncc23)c(C)c1F,YCRDUJVZEYCUOB-UHFFFAOYSA-N
rxn:4:217545:225055,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCCC(C)C3)cc2Cl)c2[nH]ncc12,GWEWRORBAUYOHS-UHFFFAOYSA-N
rxn:4:176345:223241,C#Cc1cc(OC(F)(F)F)ccc1-c1cncc(C2CCNC2)c1,ACYZMESNFVDQIO-UHFFFAOYSA-N
rxn:4:176413:223312,FC(F)(F)C(F)(F)Oc1ccc(-c2ccc(C3CNC3)cc2)cc1,RZGUAONQMGTQQX-UHFFFAOYSA-N
rxn:4:178631:222998,Fc1cc(-c2ccc(OC(F)F)cc2Cl)cc(C2CCCNC2)c1,CNRKGOMJDRPRLZ-UHFFFAOYSA-N
rxn:4:178631:223139,FC(F)Oc1ccc(-c2ccc(C3CCNCC3)nc2)c(Cl)c1,GYGWTHPDMBWWFE-UHFFFAOYSA-N
rxn:4:178659:223200,FC(F)(F)Oc1cccc(-c2ccc(C3CCNC3)cc2)c1Cl,YYLNGFCBUUXVQK-UHFFFAOYSA-N
rxn:4:180052:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2)N1,JPXJOGJOXDLODG-UHFFFAOYSA-N
rxn:4:181218:225597,CC(=O)c1cc(F)cc(-c2ccc(OC3CCCCC3)nc2)c1,GYEPQRSFEPXBQN-UHFFFAOYSA-N
rxn:4:181403:223002,COc1cc(C)c(-c2ccc(C3CCNCC3)cc2F)cc1Cl,GZNAHIBTTLVIEQ-UHFFFAOYSA-N
rxn:4:181781:222857,COc1cc(-c2ccc(-c3ccc(F)c(F)c3)cc2)cc(C2CCNCC2)c1,MFPIUDQCXCIZFW-UHFFFAOYSA-N
rxn:4:181851:223200,C[Si](C)(C)c1cccc(-c2ccc(C3CCNC3)cc2)c1F,RBBNAAQUSFSZGR-UHFFFAOYSA-N
rxn:4:182564:223139,Cc1cc(F)c(-c2ccc(C3CCNCC3)nc2)c(Cl)c1F,ABCAUUZWPHTHPL-UHFFFAOYSA-N
rxn:4:183165:226508,O=C1CCCc2ccc(-c3ccc(OCC4CC4)nc3F)cc2C1,LFBLZIDMKVELKX-UHFFFAOYSA-N
rxn:4:184406:225835,COC(=O)Cc1cc(-c2cnc(-c3ccc(F)cc3)nc2)cc(C#N)c1C(F)F,JIBDQPOQBIWCAM-UHFFFAOYSA-N
rxn:4:188346:226155,COCC(=O)c1ccc(-c2cc(C(C)=O)cc(C3CC3)c2)nc1,OFWLGKOKKCXUSU-UHFFFAOYSA-N
rxn:4:189121:225316,N#Cc1cc(-c2cnc(-c3cccc(F)c3)nc2Cl)ccc1O[C@@H]1CCOC1,WWUMUQGBRDRCEX-QGZVFWFLSA-N
rxn:4:189339:228216,Fc1cc(-c2cncc(C3CC3)c2Cl)cnc1OCC1CCCO1,RKHXHUPXVPTXEZ-UHFFFAOYSA-N
rxn:4:191332:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc(CC#N)cc2Cl)cc1,JKXDRJDGSBPVFE-UHFFFAOYSA-N
rxn:4:191625:223200,O=[N+]([O-])c1cc(C(F)(F)F)cc(-c2ccc(C3CCNC3)cc2)c1F,BXVPUXHBMOPEHK-UHFFFAOYSA-N
rxn:4:192580:228208,Fc1cc(-c2cc(C3CC3)cnc2Cl)cnc1OC1CCSC1,UNTUNUWYBGZIEL-UHFFFAOYSA-N
rxn:4:194517:226990,CN(C)CCc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)cc1,BAJDRVBVKBTEHB-UHFFFAOYSA-N
rxn:4:194517:228233,CC(=O)c1cc(C)c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)cn1,PAZVOSCHYNAASI-UHFFFAOYSA-N
rxn:4:194935:222999,C#Cc1cc(Cl)c(-c2cc(Cl)cc(C3CCCNC3)c2)cn1,NLVVOXPMSRUFSG-UHFFFAOYSA-N
rxn:4:194976:223004,N#Cc1cc(Cl)cc(F)c1-c1ccc(C2CCNCC2)c(F)c1,ZZEMLXBTTHISFA-UHFFFAOYSA-N
rxn:4:195068:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(N=C=S)c(F)c1,MCPODCVYYUGJNO-UHFFFAOYSA-N
rxn:4:195496:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(S(F)(F)(F)(F)F)nc1,FOGTUUNKDAINKW-UHFFFAOYSA-N
rxn:4:195541:226572,Cc1cc(N=C=S)ccc1-c1cnc(OC2CCCC2)nc1,XPJXELCKXHWNEO-UHFFFAOYSA-N
rxn:4:195598:223147,Cc1c(N=C=S)ccc(-c2ccc(C3CNCCO3)cc2)c1Cl,MEOBOZMWLYYGHD-UHFFFAOYSA-N
rxn:4:195601:225880,Cc1cc(-c2cc(C3CCOCC3)ncc2F)c(F)cc1N=C=S,APLIBYRGTTXSNR-UHFFFAOYSA-N
rxn:4:195844:223200,FC1(F)CC(c2csc(-c3ccc(C4CCNC4)cc3)n2)C1,IOUHEXBXUDZYFU-UHFFFAOYSA-N
rxn:4:196849:223306,c1cc2c(cc1-c1cncc(C3CCCOC3)c1)CNCC2,XEYRIYDMMKYZAQ-UHFFFAOYSA-N
rxn:4:196866:228241,CC(=O)c1cc(-c2ccc(C3CCCOC3)nc2F)ccc1F,FJINLVCHUTZVQJ-UHFFFAOYSA-N
rxn:4:197479:223240,CC12CC(c3ncc(-c4ccc(C5CCNC5)nc4)s3)(C1)C2,QKCMSBQANKULQI-UHFFFAOYSA-N
rxn:4:202968:226340,CCCOc1ncc(-c2cc(C#N)cc(C3CC3)c2Cl)cn1,SIQYZJKBIJYLDQ-UHFFFAOYSA-N
rxn:4:203146:228216,Clc1c(-c2cnc(OCC3CCC3)cn2)cncc1C1CC1,XSPTVOOUOADTDR-UHFFFAOYSA-N
rxn:4:205059:223200,N#Cc1cc(C(F)(F)F)ncc1-c1ccc(C2CCNC2)cc1,FRUBJGGEWNMEEK-UHFFFAOYSA-N
rxn:4:205264:223128,Cc1cc([N+](=O)[O-])cc(-c2ccc(CNC3CC3)c(F)c2)c1C#N,UWMFKMLNCHFHFB-UHFFFAOYSA-N
rxn:4:206526:227996,CC(=O)c1ccc(-c2cnc(OC3CCC(F)(F)CC3)nc2)c(C)c1,FQDRMOMZQBYMMV-UHFFFAOYSA-N
rxn:4:208261:225201,C#Cc1ncc(-c2ccc(OC3CCCC3)c(F)c2F)c(C)n1,BMJJFVIPCBDMJB-UHFFFAOYSA-N
rxn:4:208960:222925,FC(F)(F)c1cc(-c2cnc(N3CCCC3)s2)ccc1C1CNC1,UOXKZNUSGPVVEM-UHFFFAOYSA-N
rxn:4:208994:225679,Cc1nc(C2CC2)ncc1-c1ccc(N2CCCCC2)cc1F,BIOGWLQTYIZPJE-UHFFFAOYSA-N
rxn:4:209775:223312,FC1(F)CCN(c2ccnc(-c3ccc(C4CNC4)cc3)c2)CC1,FEGMSFQIYJCCOT-UHFFFAOYSA-N
rxn:4:210435:225679,Cc1cc2c([N+](=O)[O-])cc(-c3ccc(N4CCCCC4)cc3F)cc2[nH]1,YOROAECXVWCPRN-UHFFFAOYSA-N
rxn:4:215314:225201,N#Cc1cnc(-c2ccc(OC3CCCC3)c(F)c2F)c(C#N)c1,LBPCRSMSOLQMNC-UHFFFAOYSA-N
rxn:4:178074:223311,Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1-c1cccc(C2CNC2)c1,CIOFVRJNVRJSOY-UHFFFAOYSA-N
rxn:4:180945:223147,FC(F)c1ccc(-c2ccc(C3CNCCO3)cc2)c(Cl)c1,JPRDQYQETRAJQJ-UHFFFAOYSA-N
rxn:4:180966:225456,CN1CCC(c2ccc(-c3ccc(Cl)c(C(F)F)c3F)cc2)CC1,WTRJJWOHQNHGMB-UHFFFAOYSA-N
rxn:4:180970:223002,Fc1cc(C2CCNCC2)ccc1-c1cc(F)c(C(F)F)cc1F,MOSCDUGWVJLUHR-UHFFFAOYSA-N
rxn:4:181444:223142,Fc1c(-c2ccc(C3CCCNC3)nc2)cccc1C1CC1,UMFIIHZBOMGYCC-UHFFFAOYSA-N
rxn:4:181557:226508,CC(=O)c1cc(C)c(F)c(-c2ccc(OCC3CC3)nc2F)c1,MOSVBKILMYIQMN-UHFFFAOYSA-N
rxn:4:182467:223004,Fc1cc(Cl)c(-c2ccc(C3CCNCC3)c(F)c2)cc1F,LUGICYDQLGHVSH-UHFFFAOYSA-N
rxn:4:188031:223200,FC(F)COc1nc(-c2ccc(C3CCNC3)cc2)cs1,PUKCBWMVGSBZGW-UHFFFAOYSA-N
rxn:4:188746:228739,COc1cc(-c2ccc(OCC3CC3(F)F)cn2)c(C)cn1,SGXJEGCRKUXNPJ-UHFFFAOYSA-N
rxn:4:191278:223200,FC(F)Oc1cc(-c2ccc(C3CCNC3)cc2)cnc1Cl,NSHCEZSAYKAFMB-UHFFFAOYSA-N
rxn:4:192841:225456,CN1CCC(c2ccc(-c3cc(Cl)c(-c4ccc(C(F)(F)F)cc4)cn3)cc2)CC1,CJALWIJMIGNOPV-UHFFFAOYSA-N
rxn:4:195068:223139,Fc1cc(-c2ccc(C3CCNCC3)nc2)ccc1N=C=S,NPPAQGDNPKXERX-UHFFFAOYSA-N
rxn:4:195808:226508,Fc1nc(OCC2CC2)ccc1-c1nccc(C2CC2)c1F,MGHIZFJEIQCSAJ-UHFFFAOYSA-N
rxn:4:196025:226508,CC#Cc1cncc(-c2ccc(OCC3CC3)nc2F)c1C,ALJCQNSQLTZDPL-UHFFFAOYSA-N
rxn:4:196245:227426,Fc1c(C2CCC2)ccnc1-c1ccc(C2CCCO2)nc1,IYEWOBCDSODPSB-UHFFFAOYSA-N
rxn:4:196285:227625,CC1(c2cncc(-c3cnc(C4CCCO4)nc3)c2)CC1(F)F,HDRJTPHMDGMTIA-UHFFFAOYSA-N
rxn:4:196778:222855,COc1cc(-c2ccc(-c3ccc(F)nc3)c(C)c2)cc(C2CCCNC2)c1,RQYZPAJFRCDOFA-UHFFFAOYSA-N
rxn:4:196972:228698,CCC(=O)c1ccc(-c2ccc(C3CCCCC3)nc2F)s1,AYYPZMDNYKKPAE-UHFFFAOYSA-N
rxn:4:197495:225456,CCc1c[nH]c2cc(-c3ccc(C4CCN(C)CC4)cc3)c(F)cc12,DFKMWXFBABJHFQ-UHFFFAOYSA-N
rxn:4:197703:223312,CC12CC(c3ccc(-c4ccc(C5CNC5)cc4)nc3)(C1)C2,MLCQTQPXBXPQPI-UHFFFAOYSA-N
rxn:4:198187:223005,Fc1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)c1F,DEEKIPNMQKVUQY-UHFFFAOYSA-N
rxn:4:201294:226331,N#Cc1cc(-c2ccc(C3(C#N)CC3)cc2F)cnc1OCC1CC1,LMWHOUWHXMCXKY-UHFFFAOYSA-N
rxn:4:201989:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)cc2)CC1,JWZDJDIBGPWJNE-DUYHBEBVSA-N
rxn:4:202978:226893,O=C([O-])[CH+]C=Cc1ncc(-c2cc(Cl)c(C(F)(F)F)cc2F)cn1,PMLFMXGMPCMJGN-UHFFFAOYSA-N
rxn:4:202978:227121,CC(C)(C)c1ccc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)c(Cl)c1,JHRNGJDCGOAORW-UHFFFAOYSA-N
rxn:4:203154:228019,CC(=O)c1ccc(C)c(-c2cnc(OCC3CCC3)nc2)c1,NWKCJTQYJVRTAU-UHFFFAOYSA-N
rxn:4:203154:228365,Clc1nc(C2CC2)ncc1-c1cnc(OCC2CCC2)nc1,FZAMOMZIFVDWSP-UHFFFAOYSA-N
rxn:4:203190:225216,Cc1cncc(-c2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)c(Cl)c2)n1,YZOVJRSVUJQWPL-UHFFFAOYSA-N
rxn:4:205350:225881,N#Cc1c(-c2ccc(C3CCOCC3)nc2F)cncc1C1CC1,GNFJORWCIXALJV-UHFFFAOYSA-N
rxn:4:205469:223312,CC(C)(C)c1nsc(-c2ccc(C3CNC3)cc2)c1C#N,JYSAESMWPQEYEB-UHFFFAOYSA-N
rxn:4:205493:225934,FC(F)(F)c1ncc(-c2cnc(OC3CCC3)nc2)cc1C1CC1,QXZKCOOLESQPDN-UHFFFAOYSA-N
rxn:4:205660:228308,CCOc1ncc(-c2cnc(OC3CCSC3)nc2)c(C)n1,DYCZZHOGMIFHSU-UHFFFAOYSA-N
rxn:4:208105:224705,CC1CCN(c2ccc(-c3cnc(F)c(F)c3C#N)c(F)c2F)CC1,AWBKHBSWGDEFGZ-UHFFFAOYSA-N
rxn:4:208261:225879,C#Cc1ncc(-c2ccc(N3CCOCC3)cc2F)c(C)n1,RPFHLDBEGSXRHF-UHFFFAOYSA-N
rxn:4:210301:225852,Clc1nc(C2CCCCC2)ncc1-c1cnn(C23CC(C2)C3)c1,JFYIBSFBKAZIPB-UHFFFAOYSA-N
rxn:4:217340:225852,O=[N+]([O-])c1cc(-c2cnc(C3CCCCC3)nc2Cl)c2[nH]cnc2c1,ZWFAMPOBBSKICJ-UHFFFAOYSA-N
rxn:4:173877:223312,CCOC(=O)CCc1ccc(-c2ccc(C3CNC3)cc2)cc1,BBRNEGQTEGAYAQ-UHFFFAOYSA-N
rxn:4:178707:223311,Fc1c(F)c(-c2cccc(C3CNC3)c2)c(F)c(F)c1OC(F)(F)F,IJJRQFIZRRVIAB-UHFFFAOYSA-N
rxn:4:181121:223142,CSc1cc(-c2ccc(C3CCCNC3)nc2)cc(F)c1Cl,OYPBZONFXMMCSH-UHFFFAOYSA-N
rxn:4:181642:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)ccc(C(F)(F)F)c1C,AAWGZWICQSLSSW-UHFFFAOYSA-N
rxn:4:185800:228216,COc1cc(-c2cncc(C3CC3)c2Cl)cnc1OCC(F)F,QYGNBLYNRGKLNI-UHFFFAOYSA-N
rxn:4:188135:223200,FC(F)Oc1cc(-c2ccc(C3CCNC3)cc2)ccc1N=C=S,FHEJAQIMXVCGFG-UHFFFAOYSA-N
rxn:4:188147:223199,FC(F)(F)COc1ncc(-c2cccc(C3CCNC3)c2)cc1Cl,LKMYFJOVEXQHPB-UHFFFAOYSA-N
rxn:4:188742:226132,COc1ccc(-c2ccc(C3(C#N)CC3)cc2C)cc1C=C[N+](=O)[O-],DGRQUZSPDDWXBE-UHFFFAOYSA-N
rxn:4:188950:226155,CCCOc1cc(C)c(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,GYMASGKSDVXQPB-UHFFFAOYSA-N
rxn:4:189071:228216,Clc1c(-c2ccc(OCC3CCC3)nc2)cncc1C1CC1,TYSXQYUXGLFODB-UHFFFAOYSA-N
rxn:4:192165:223142,c1ncc(-c2ccc(C3CCCNC3)nc2)cc1CC1CC1,SXXORAGZECCAQL-UHFFFAOYSA-N
rxn:4:194579:225456,CN1CCC(c2ccc(-c3ccc(-c4cc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)cc3)cc2)CC1,IYMPHVNCWJZPTF-UHFFFAOYSA-N
rxn:4:194582:225456,CN1CCC(c2ccc(-c3ccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)cc3)cc2)CC1,VDFJNYSZPGDCSR-UHFFFAOYSA-N
rxn:4:195146:223085,OC1CCN(c2cc(-c3ccc(N=C=S)c(F)c3Cl)cnc2Cl)C1,PIYQMHHXKVVNSY-UHFFFAOYSA-N
rxn:4:195148:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(F)c(N=C=S)c(F)c1,IACGZKKMMAJMAX-UHFFFAOYSA-N
rxn:4:195151:225881,Fc1nc(C2CCOCC2)ccc1-c1ccc(N=C=S)c(F)c1F,IJMMMFDMUZJTHH-UHFFFAOYSA-N
rxn:4:195158:223004,O=[N+]([O-])c1c(Cl)ccc(-c2ccc(C3CCNCC3)c(F)c2)c1F,RRGOJOYZQSWJPU-UHFFFAOYSA-N
rxn:4:195177:225456,CN1CCC(c2ccc(-c3cc([N+](=O)[O-])c(F)cc3F)cc2)CC1,ACMHRSBESPIWNC-UHFFFAOYSA-N
rxn:4:195249:223200,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CCNC3)cc2)c1F,MIECBNURDMELOQ-UHFFFAOYSA-N
rxn:4:195392:225201,C#Cc1cc(C)c(-c2ccc(OC3CCCC3)c(F)c2F)cn1,PKMSILWYJKHVPO-UHFFFAOYSA-N
rxn:4:195600:227311,CCC(C)c1cc(F)c(-c2cc(F)c(N=C=S)cc2C)cn1,YYFKDXUAKOIRNI-UHFFFAOYSA-N
rxn:4:195704:223131,Cc1c(F)c(-c2ccc(N3CCNCC3)cc2)cc([N+](=O)[O-])c1F,SLDLLBDZVYTJCN-UHFFFAOYSA-N
rxn:4:195810:226508,Fc1nc(OCC2CC2)ccc1-c1ccnc(C2CC2)c1F,KPRYULUQQFNWDZ-UHFFFAOYSA-N
rxn:4:195820:227426,Fc1c(-c2ccc(C3CCCO3)nc2)cnc(Cl)c1C1CC1,IQEIATYGTMPMOD-UHFFFAOYSA-N
rxn:4:196589:223200,C[Si](C)(C)c1cc(-c2ccc(C3CCNC3)cc2)c(F)nc1F,FQIIEOXFZZHKSB-UHFFFAOYSA-N
rxn:4:196887:223200,c1cc(C2CCNC2)ccc1-c1ccn(C2CCCCC2)c1,MROPRFWULCICHR-UHFFFAOYSA-N
rxn:4:197015:228216,CN1CCO[C@H](c2ccc(-c3cncc(C4CC4)c3Cl)cc2)C1,YRRZOVBLYUAZAY-SFHVURJKSA-N
rxn:4:197880:226446,Cc1cccc(N2C(=O)c3ccc(-c4ccc(C5CCOC5)nc4C)cc3C2=O)c1,MLZZEDDGKOLHAL-UHFFFAOYSA-N
rxn:4:201207:226155,CC(=O)c1cc(-c2cnc(OCC(F)(F)C(F)(F)F)cn2)cc(C2CC2)c1,CZMZBRWCCBYRNP-UHFFFAOYSA-N
rxn:4:201294:227899,CCC#Cc1cncc(-c2cnc(OCC3CC3)c(C#N)c2)c1,HMOBNZSPDSFBGX-UHFFFAOYSA-N
rxn:4:203190:228709,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C#N)n1,MSQOZZJNAXCZHS-UHFFFAOYSA-N
rxn:4:205521:227085,Clc1nc(OC2CCC2)ncc1-c1ccc(C2CCCC2)nc1,NIUZUYYZWZSSGR-UHFFFAOYSA-N
rxn:4:206048:228214,Cc1nc(OC2CCC2)ncc1-c1cnc(C2CC2)cc1F,NLFLVZBCZFLOQK-UHFFFAOYSA-N
rxn:4:208131:222803,FC(F)c1cnc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,ALEOJMQIIZUHNM-UHFFFAOYSA-N
rxn:4:210668:223312,Clc1cc(-c2ccc(C3CNC3)cc2)cnc1N1CC2CC2C1,DEJHJQJPYGIMKL-UHFFFAOYSA-N
rxn:4:217311:225201,O=[N+]([O-])c1cc(-c2ccc(OC3CCCC3)c(F)c2F)c2[nH]ncc2c1,MMOOPEOAEGGZCM-UHFFFAOYSA-N
rxn:4:217311:225869,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)c2[nH]ncc2c1,XNOVKXHPNOLFTF-UHFFFAOYSA-N
rxn:4:179574:223241,Fc1cc(CC2CC2)ccc1-c1cncc(C2CCNC2)c1,IQCFIGXYDMIFGJ-UHFFFAOYSA-N
rxn:4:180965:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)c(Cl)c(C(F)F)c1,YSLGMAWYCIHKHE-UHFFFAOYSA-N
rxn:4:181225:225881,CC(=O)c1cc(Cl)c(-c2ccc(C3CCOCC3)nc2F)cc1F,MCCXRJPHNKEISP-UHFFFAOYSA-N
rxn:4:181620:223312,Cc1cc([B-](F)(F)F)c(C)cc1-c1ccc(C2CNC2)cc1,ODDYMFJKPVFFIG-UHFFFAOYSA-N
rxn:4:181646:223343,O=C1CC(c2ccc(-c3ccc4c(c3)NC(=O)C4)c(F)c2)C1,JKVZZHOBKQJDQO-UHFFFAOYSA-N
rxn:4:181995:222807,Cc1cc(-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)ccc1-c1cccc(F)c1F,UDSNVSGIBOZNRM-UHFFFAOYSA-N
rxn:4:182488:222849,N#Cc1cc(-c2cc(Cl)c(F)c(F)c2F)ccc1C1CCNCC1,HNBFWQYRYZIKJG-UHFFFAOYSA-N
rxn:4:186750:226815,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3ccsc3)nc2Cl)c1)N1CCC(F)(F)C1,TZIASFJLXAAYRM-UHFFFAOYSA-N
rxn:4:188744:228492,COc1cc(-c2c(F)cc(F)c(F)c2F)ccc1C=C[N+](=O)[O-],RQTARDRNIOTHJV-UHFFFAOYSA-N
rxn:4:191305:223000,Fc1cc(-c2cc(OC(F)F)cnc2F)ccc1C1CCCNC1,COLAPOHKKRECSM-UHFFFAOYSA-N
rxn:4:192817:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)nc3)c2)N1,SGRPCHUYTNYBFY-UHFFFAOYSA-N
rxn:4:193321:223312,c1cc(C2CNC2)ccc1-c1ccc(OC2CCCCC2)nc1,XPKKHMQUEWHVGW-UHFFFAOYSA-N
rxn:4:194517:223240,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)nc2c1,RWPLZCKJVYXJHD-UHFFFAOYSA-N
rxn:4:194924:225201,CC(=O)c1cnc(-c2ccc(OC3CCCC3)c(F)c2F)s1,ZEWJYRGWZBJSJB-UHFFFAOYSA-N
rxn:4:195062:225456,CN1CCC(c2ccc(-c3ccc(N=C=S)cc3Cl)cc2)CC1,GVRPANUNORPAJL-UHFFFAOYSA-N
rxn:4:195146:223239,Fc1c(N=C=S)ccc(-c2cncc(C3CCCN3)c2)c1Cl,XBIQWBOHSOMSIK-UHFFFAOYSA-N
rxn:4:195146:226990,CN(C)CCc1ccc(-c2ccc(N=C=S)c(F)c2Cl)cc1,JESZDDFOQRUNTL-UHFFFAOYSA-N
rxn:4:195157:227432,Cc1nc(C2COC2)ccc1-c1cc(Cl)c(F)c([N+](=O)[O-])c1,STZOIOFKCQUCEV-UHFFFAOYSA-N
rxn:4:195398:225201,CC(=O)c1ccnc(-c2ccc(OC3CCCC3)c(F)c2F)c1,ARRGXPBIFOWXLK-UHFFFAOYSA-N
rxn:4:195598:226025,Cc1c(N=C=S)ccc(-c2cnc(OC3CCOC3)nc2Cl)c1Cl,DRCCLAYATWZGNN-UHFFFAOYSA-N
rxn:4:195604:223147,Cc1c(N=C=S)ccc(-c2ccc(C3CNCCO3)cc2)c1F,HZWUIKZJRLBPRD-UHFFFAOYSA-N
rxn:4:195633:223200,Cc1cc(Cl)c(-c2ccc(C3CCNC3)cc2)cc1[N+](=O)[O-],BMAKENPYADXQKL-UHFFFAOYSA-N
rxn:4:196119:225881,Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C2CCOCC2)nc1F,ZBHKIFXCTYFHNO-UHFFFAOYSA-N
rxn:4:196157:227793,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3F)cn2)C1,LICLLKYBPYRCHY-UHFFFAOYSA-N
rxn:4:196845:228365,Clc1nc(C2CC2)ncc1-c1ccc(C2CCSCC2)nc1,HCTVTVCCXNXRFS-UHFFFAOYSA-N
rxn:4:197047:223312,Cc1cc(N2CCCCC2)ccc1-c1ccc(C2CNC2)cc1,YSEZODQJURSGDQ-UHFFFAOYSA-N
rxn:4:198288:225881,Cc1c(-c2ccc(C3CCOCC3)nc2F)cnc(F)c1Cl,GIWMDQXXEKYCHX-UHFFFAOYSA-N
rxn:4:203162:226336,N#Cc1cc(-c2cnc(OC3CCC3)c([N+](=O)[O-])c2)c(Cl)cc1C1CC1,RDUJMIGHGTYALN-UHFFFAOYSA-N
rxn:4:205264:226508,Cc1cc([N+](=O)[O-])cc(-c2ccc(OCC3CC3)nc2F)c1C#N,GSCCVCDVQSYQLF-UHFFFAOYSA-N
rxn:4:205493:226331,N#CC1(c2ccc(-c3cnc(OC4CCC4)nc3)c(F)c2)CC1,UGYDQGGACNOPJL-UHFFFAOYSA-N
rxn:4:206027:226337,N#Cc1cc(C2CC2)cc(-c2cnc(OC3CCCC3)cn2)c1Cl,VXYJBRBQFLLDMO-UHFFFAOYSA-N
rxn:4:207613:223241,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cncc(C5CCNC5)c4)cc3)nc2c1,HMUDDBBIKHCNKR-UHFFFAOYSA-N
rxn:4:208261:225056,C#Cc1ncc(-c2ccc(N3CCCC(C)C3)cc2F)c(C)n1,ZNVMOSKOLTUDIL-UHFFFAOYSA-N
rxn:4:208960:223200,c1cc(C2CCNC2)ccc1-c1cnc(N2CCCC2)s1,DKWBSXGLXQVBAJ-UHFFFAOYSA-N
rxn:4:209724:228470,O=[N+]([O-])c1ccc(Cl)c(-c2cnc(C3CCCCC3)cn2)c1,PACDGZIYXUCJPO-UHFFFAOYSA-N
rxn:4:209909:225683,Cc1nc(C2CCCOC2)ccc1-c1cc2c(Cl)ncc(C#N)c2s1,ZCHSDERABWHQOI-UHFFFAOYSA-N
rxn:4:210668:223378,Clc1cc(-c2cnc3c(c2)NCCO3)cnc1N1CC2CC2C1,FNTJSUSEILTLIO-UHFFFAOYSA-N
rxn:4:176408:223307,Fc1c(OCC(F)F)ccc(-c2ccc3c(c2)CCNC3)c1F,ZYASNIRRLVLCHJ-UHFFFAOYSA-N
rxn:4:178174:222405,CCCc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2)cc1,WDAASHXVRUQMHW-UHFFFAOYSA-N
rxn:4:178191:222405,COC(=O)c1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)c(C)c2)cc1,JRYITNTUMBHUSC-UHFFFAOYSA-N
rxn:4:178903:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)ccc1CC(F)(F)F,GBMJINIODQZOAE-UHFFFAOYSA-N
rxn:4:181259:223241,FS(F)(F)(F)(F)c1ccc(-c2cncc(C3CCNC3)c2)cc1,LCYJVZVSORFTHS-UHFFFAOYSA-N
rxn:4:182005:223311,c1cc(-c2ccc(C3CCCCO3)cc2)cc(C2CNC2)c1,UMAJDRZCYXWJTP-UHFFFAOYSA-N
rxn:4:182476:222849,N#Cc1cc(-c2cc(Cl)cc(F)c2F)ccc1C1CCNCC1,UYTXASQENBBLOR-UHFFFAOYSA-N
rxn:4:182897:223142,Clc1c(-c2ccc(C3CCCNC3)nc2)ccc2c1CCC2,BGYMDUHVOBVUED-UHFFFAOYSA-N
rxn:4:183281:223200,c1cc(C2CCNC2)ccc1-c1ccc2c(c1)C1CCC2O1,GEFXMCDUJJPQLO-UHFFFAOYSA-N
rxn:4:189246:227501,CN(C)CCc1ccc(-c2ccc(C=C[N+](=O)[O-])cc2)c(F)c1,KWLGDAOXIPTXRM-UHFFFAOYSA-N
rxn:4:192580:228388,Cc1cnc(C(F)F)cc1-c1cnc(OC2CCSC2)c(F)c1,OLZWESDVUGPNTJ-UHFFFAOYSA-N
rxn:4:194870:225456,CN1CCC(c2ccc(-c3ccc([N+](=O)[O-])o3)cc2)CC1,PLIJKPINVSDPCP-UHFFFAOYSA-N
rxn:4:195034:225923,S=C=Nc1ccc(-c2cnc(OC3CCCC3)nc2Cl)cc1,ZDDNEGLJSNWARX-UHFFFAOYSA-N
rxn:4:195075:223004,O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C2CCNCC2)c(F)c1,KDVAQFRWYULUGC-UHFFFAOYSA-N
rxn:4:195081:222925,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc1F,ZCCLLVZRLQOUOX-UHFFFAOYSA-N
rxn:4:195155:223005,O=[N+]([O-])c1cc(Cl)c(F)cc1-c1ccc(C2CCNCC2)c(Cl)c1,YKKZQQHBHLVRHI-UHFFFAOYSA-N
rxn:4:195172:222925,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc(F)c1Cl,ZCMOGWJXEITMII-UHFFFAOYSA-N
rxn:4:195643:225674,Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCCCC3)cc2F)c1F,LRCNESPTYYDJFI-UHFFFAOYSA-N
rxn:4:195810:226323,Fc1c(-c2ccc(OC3CCCC3)nc2)ccnc1C1CC1,IEXWSXBQTFKEOA-UHFFFAOYSA-N
rxn:4:196227:225923,Cc1c(-c2cnc(OC3CCCC3)nc2Cl)cncc1C1CC1,IKJDEPYMERMSCN-UHFFFAOYSA-N
rxn:4:196285:228230,CC1(c2cncc(-c3cnc(C4CC4)c(Cl)c3)c2)CC1(F)F,NZBIHYNJZCBUIL-UHFFFAOYSA-N
rxn:4:196526:228232,Fc1nc(C2CCOC2)ccc1-c1cnc(Cl)c(C2CC2)c1,INYJUZNVNMMKRL-UHFFFAOYSA-N
rxn:4:196616:227988,Fc1nc(C2COCCO2)ccc1-c1cccc(C2CC2)c1F,XQAFBNQSBWPPGD-UHFFFAOYSA-N
rxn:4:196867:228912,COc1cc(-c2ccc(C3CCOCC3)nc2F)cnc1Cl,ICUIOMRNFGCUAJ-UHFFFAOYSA-N
rxn:4:197621:226508,CC(=O)c1c[nH]c2c(C)c(-c3ccc(OCC4CC4)nc3F)ccc12,QFEQTVLHTLSTLU-UHFFFAOYSA-N
rxn:4:201287:228755,COc1cncc(-c2cnc(OCC(C)(F)F)c(C#N)c2)c1C,HGBWJRFLYQQAPU-UHFFFAOYSA-N
rxn:4:202488:226462,C#CCn1c(=NC(=O)c2cccc(-c3cc4ncn(CC)c4cc3F)c2)sc2cc(F)cc(F)c21,AXCHLWCZEVOIOX-UHFFFAOYSA-N
rxn:4:202978:226825,Cc1cc(C(F)(F)F)c(Cl)cc1-c1cnc(C=C[CH+]C(=O)[O-])nc1,BWPCFDVLZXNJFW-UHFFFAOYSA-N
rxn:4:202978:226890,O=C([O-])[CH+]C=Cc1ncc(-c2cc(F)c(C(F)(F)F)cc2Cl)cn1,AVYMAFUSIDHIGQ-UHFFFAOYSA-N
rxn:4:203190:227702,COC(=O)c1cnc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,FJUAPUPQEMIVCT-UHFFFAOYSA-N
rxn:4:205952:223312,FC(F)C1CN(c2ncc(-c3ccc(C4CNC4)cc3)cc2Cl)C1,DPKOWMJWCZZPDN-UHFFFAOYSA-N
rxn:4:207053:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCCN(C)CC4)c(F)c3)cc2)CC1,ICDDMPANJAYHPY-UHFFFAOYSA-N
rxn:4:207613:223385,ON=Cc1ccc(Cl)c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c1,JNIUVJOZWPJVLE-UHFFFAOYSA-N
rxn:4:208038:223005,N#Cc1cc(Cl)ncc1-c1ccc(C2CCNCC2)c(Cl)c1,VHWCXDXITFLKJE-UHFFFAOYSA-N
rxn:4:211228:225201,Cc1nc(Cl)ncc1-c1ccc(OC2CCCC2)c(F)c1F,PRJIYVYOYOCNMR-UHFFFAOYSA-N
rxn:4:217278:225201,N#Cc1c[nH]c2c(-c3ccc(OC4CCCC4)c(F)c3F)cncc12,NGFSOGNRONRINS-UHFFFAOYSA-N
rxn:4:217340:225201,O=[N+]([O-])c1cc(-c2ccc(OC3CCCC3)c(F)c2F)c2[nH]cnc2c1,OQEMRUYXCFNAKA-UHFFFAOYSA-N
rxn:4:173372:222397,O=C(NCCc1c[nH]cn1)c1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,LINDUKYMHICJHG-UHFFFAOYSA-N
rxn:4:177717:223199,Cc1cc(C(=O)OC(C)C)ccc1-c1cccc(C2CCNC2)c1,KIMZJZPYUKLGDA-UHFFFAOYSA-N
rxn:4:178747:223199,FC(F)=C(F)Oc1cccc(-c2cccc(C3CCNC3)c2)c1,BFKAGAANPNQVKP-UHFFFAOYSA-N
rxn:4:179065:223200,CCOc1ccc(-c2ccc(C3CCNC3)cc2)c(F)c1F,YJRXNOWPQSEJLV-UHFFFAOYSA-N
rxn:4:180970:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(F)c(C(F)F)cc1F,UJRXEJWHDKUIDN-UHFFFAOYSA-N
rxn:4:181163:223240,COc1c(F)c(F)cc(-c2ccc(C3CCNC3)nc2)c1Cl,APHQIIFYNJMFQH-UHFFFAOYSA-N
rxn:4:181793:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2ccc(F)cc2)c(F)c1Cl,CAMXLMQVTCCBDD-UHFFFAOYSA-N
rxn:4:181883:223311,c1cc(-c2ccc(C3COCCO3)cc2)cc(C2CNC2)c1,RPQKWBNPELUOCE-UHFFFAOYSA-N
rxn:4:182109:223241,c1cc(C2CCC3(CC2)OCCO3)ccc1-c1cncc(C2CCNC2)c1,FTZIAHQHMNEZMV-UHFFFAOYSA-N
rxn:4:182524:223062,Cc1cc(-c2cnc(C3CCNCC3)cc2F)c(Cl)cc1F,AHRJCNCZIUACIM-UHFFFAOYSA-N
rxn:4:185717:223306,FC(F)(F)CCOc1ccc(-c2ccc3c(c2)CNCC3)cn1,IJIWZYXFEGZJSJ-UHFFFAOYSA-N
rxn:4:188746:228357,COc1nc(C)c(-c2ccc(OCC3CC3(F)F)cn2)c(C)n1,QYOYSVVSDWYHHH-UHFFFAOYSA-N
rxn:4:189658:228216,Clc1c(-c2ccc(OCC3CCOCC3)nc2)cncc1C1CC1,GFKRVPQBTWECNM-UHFFFAOYSA-N
rxn:4:192580:228761,COc1cc(-c2cnc(OC3CCSC3)c(F)c2)cnc1C,HVFXHLPMPUPYBM-UHFFFAOYSA-N
rxn:4:194123:226323,COC(=O)c1cc(-c2ccc(OC3CCCC3)nc2)c2[nH]ccc2c1,OLCSPFUNOATCMK-UHFFFAOYSA-N
rxn:4:194878:223004,Fc1cc(-c2ncc(C(F)F)s2)ccc1C1CCNCC1,AZWMQEBLUVJFOI-UHFFFAOYSA-N
rxn:4:194966:223004,N#Cc1c(-c2ccc(C3CCNCC3)c(F)c2)ccc(Cl)c1F,DAWHZFCZOQQVLJ-UHFFFAOYSA-N
rxn:4:195036:225456,CN1CCC(c2ccc(-c3cccc(N=C=S)c3)cc2)CC1,IIHULUIIONOFAM-UHFFFAOYSA-N
rxn:4:195123:223005,Fc1c(C(F)F)ccnc1-c1ccc(C2CCNCC2)c(Cl)c1,AOKHUBQYGZPDJP-UHFFFAOYSA-N
rxn:4:195163:223004,O=[N+]([O-])c1c(-c2ccc(C3CCNCC3)c(F)c2)ccc(Cl)c1F,NZSNPJYQLNMKLB-UHFFFAOYSA-N
rxn:4:195196:226446,Cc1nc(C2CCOC2)ccc1-c1cnc(Cl)c(C(F)(F)F)c1,YYHIONBGXAZEES-UHFFFAOYSA-N
rxn:4:195616:226432,Cc1c(F)cc(-c2ccc(C3CCCC3)nc2F)cc1[N+](=O)[O-],MSZXMMONHSCYGB-UHFFFAOYSA-N
rxn:4:195803:225881,Fc1nc(C2CCOCC2)ccc1-c1cnc(C2(F)CCC2)s1,FMKRNRXBXDOMQR-UHFFFAOYSA-N
rxn:4:195810:225201,Fc1c(-c2ccc(OC3CCCC3)c(F)c2F)ccnc1C1CC1,FWZBWFQIUAIXTF-UHFFFAOYSA-N
rxn:4:196616:228628,Fc1nc(C2COCCO2)ccc1-c1cc(C2CCC2)cs1,ASRXONUMIMNFJW-UHFFFAOYSA-N
rxn:4:201294:228223,N#Cc1cc(-c2ccc(C3CC3)nc2F)cnc1OCC1CC1,RGPSLDBVFHAYKF-UHFFFAOYSA-N
rxn:4:202860:223311,FC(F)(F)COc1ncc(-c2cccc(C3CNC3)c2)cn1,XGGVSFOZHMFUBC-UHFFFAOYSA-N
rxn:4:203190:228243,CC(=O)c1cccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1F,VBMHZVFKDJXDEJ-UHFFFAOYSA-N
rxn:4:205721:226336,N#Cc1cc(-c2cnc(OC3COCC3(F)F)nc2)c(Cl)cc1C1CC1,DJTZQPVTXPQDOT-UHFFFAOYSA-N
rxn:4:206042:228209,Cc1cc(Cl)c(-c2ncc(C#C[Si](C)(C)C)cn2)cc1C#N,MHFRCKDEJZXJAL-UHFFFAOYSA-N
rxn:4:208397:222925,Cc1cc([N+](=O)[O-])ncc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,SWMSQBGODZYDEB-UHFFFAOYSA-N
rxn:4:208511:225881,CSc1ncc(-c2ccc(C3CCOCC3)nc2F)c(C)n1,PQSFMQSRNZVVMQ-UHFFFAOYSA-N
rxn:4:208515:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C2CC2)nc1Cl,OOYNDCVNAMIRPG-UHFFFAOYSA-N
rxn:4:216378:222699,N#Cc1cnc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cn1,JUPIKEHIINCKBB-UHFFFAOYSA-N
rxn:4:217311:225879,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)cc2F)c2[nH]ncc2c1,YGHXLXDNTKRCDE-UHFFFAOYSA-N
rxn:4:217597:225320,COc1cc(-c2ccc(N3CCOCC3)c(F)c2F)cn2nc(C)nc12,ZJNQLFLOELEJHK-UHFFFAOYSA-N
rxn:4:225314:189441,N#Cc1cc(-c2cnc(-c3ccc(F)cc3)nc2Cl)ccc1OC1CCCC1,CDKCGEXLZPMSDH-UHFFFAOYSA-N
rxn:4:176404:223241,Fc1cc(OCC(F)(F)F)ccc1-c1cncc(C2CCNC2)c1,BIDLNRLCBKFNLX-UHFFFAOYSA-N
rxn:4:180259:223240,COc1cc(C(C)(C)C)ccc1-c1ccc(C2CCNC2)nc1,WNLPXUJBPMLRNI-UHFFFAOYSA-N
rxn:4:181003:223000,Fc1cc(-c2ccc(C(F)(F)F)c(F)c2)ccc1C1CCCNC1,GDNZIODPFUNMTD-UHFFFAOYSA-N
rxn:4:182744:223000,Fc1cc2c(cc1-c1ccc(C3CCCNC3)c(F)c1)COC2,RKTYKYVGVZCTIY-UHFFFAOYSA-N
rxn:4:194878:222985,Cc1nc(C2CCCNC2)ccc1-c1ncc(C(F)F)s1,LSOCQYZHLUGXTI-UHFFFAOYSA-N
rxn:4:194886:225456,CN1CCC(c2ccc(-c3ncc(C(F)(F)F)s3)cc2)CC1,MYTQPDABLVWJJY-UHFFFAOYSA-N
rxn:4:195111:225923,FC(F)c1ccc(-c2cnc(OC3CCCC3)nc2Cl)nc1Cl,LUXUMEIJRQIEHQ-UHFFFAOYSA-N
rxn:4:195177:223004,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)c(F)c2)c(F)cc1F,VHRCLSYUBJIKMS-UHFFFAOYSA-N
rxn:4:195186:223065,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(N3CCNCC3)cc2F)c1,REQXAMDXXIQZKH-UHFFFAOYSA-N
rxn:4:195264:225454,CN1CC=C(c2ccc(-c3cnc(C4CC4)s3)cc2)CC1,TVORLOCHKXFDBW-UHFFFAOYSA-N
rxn:4:195516:223002,Fc1cc(C2CCNCC2)ccc1-c1ccn(C2CC2)c1,HRMSWNUSFPHYCE-UHFFFAOYSA-N
rxn:4:195621:223240,Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCNC2)nc1,WEJBWBZJPPUMPW-UHFFFAOYSA-N
rxn:4:195632:223147,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CNCCO3)cc2)c1Cl,TYOHYCPRYQZNMY-UHFFFAOYSA-N
rxn:4:195807:223000,Fc1cnc(C2CC2)cc1-c1ccc(C2CCCNC2)c(F)c1,RWEIRKZHYNTATP-UHFFFAOYSA-N
rxn:4:195810:225801,Fc1c(-c2ccnc(OC3CCCC3)c2Cl)ccnc1C1CC1,YWDODGFSXOKUIU-UHFFFAOYSA-N
rxn:4:196107:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)cc(C)c1N=C=S,FBMNXUDGCGOTTF-UHFFFAOYSA-N
rxn:4:196157:227794,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cn2)C1,YSZGYUJNOGTMFW-UHFFFAOYSA-N
rxn:4:196158:223200,c1cc(-c2ccc(C3CCNC3)cc2)ccc1C1=NOCC1,DWLBYULJLPXAGU-UHFFFAOYSA-N
rxn:4:196227:226446,Cc1nc(C2CCOC2)ccc1-c1cncc(C2CC2)c1C,XQMLXYWZVWFVTK-UHFFFAOYSA-N
rxn:4:196238:223200,c1cc(C2CCNC2)ccc1-c1cc(N2CCCC2)co1,QAIVKJFZXAUUKC-UHFFFAOYSA-N
rxn:4:196779:222857,COc1cc(-c2ccc(-c3ccc(F)cc3C)cn2)cc(C2CCNCC2)c1,YZRWFCRHOGMWOO-UHFFFAOYSA-N
rxn:4:196868:228214,Fc1cc(C2CC2)ncc1-c1ccc(C2CCCCO2)nc1F,UUZZFLQBBVWQDX-UHFFFAOYSA-N
rxn:4:196954:228216,CN1CCC(c2ccc(-c3cncc(C4CC4)c3Cl)cc2)C1,KIGSOWANEMZIFQ-UHFFFAOYSA-N
rxn:4:197712:227625,CC12CC(c3cncc(-c4cnc(C5CCCO5)nc4)c3)(C1)C2,FUVJVAFWOSSSLR-UHFFFAOYSA-N
rxn:4:198147:222699,Fc1cc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cnc1Cl,FCKPCCIQRYTERX-UHFFFAOYSA-N
rxn:4:198254:222925,Cc1nc(F)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,ZMWGPMRYOFDXLH-UHFFFAOYSA-N
rxn:4:203190:228768,CCc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)cn1,QFCZGZRMNVXQKW-UHFFFAOYSA-N
rxn:4:205036:225881,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCOCC2)nc1F,NEDAGWQVYIZYBC-UHFFFAOYSA-N
rxn:4:205037:222985,Cc1nc(C2CCCNC2)ccc1-c1cc([N+](=O)[O-])cc(F)c1C#N,HMSAJEMBRBFLDQ-UHFFFAOYSA-N
rxn:4:205355:226432,N#Cc1nc(C2CC2)ccc1-c1ccc(C2CCCC2)nc1F,ZEIFEIBKBIMYHE-UHFFFAOYSA-N
rxn:4:205689:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(OC2CCOC2)nc1Cl,HUVGTLMROYCCTO-UHFFFAOYSA-N
rxn:4:208261:225597,C#Cc1ncc(-c2ccc(OC3CCCCC3)nc2)c(C)n1,FSYRYXGTFDCXNF-UHFFFAOYSA-N
rxn:4:208339:222988,Cc1cc(-c2cnc(S(F)(F)(F)(F)F)nc2)cc(C2CCNCC2)n1,UYPVPBUFGLNCOZ-UHFFFAOYSA-N
rxn:4:210587:225201,CC(=O)c1c[nH]c2c(-c3ccc(OC4CCCC4)c(F)c3F)cnc(C)c12,OKWYNRDZCOYCGQ-UHFFFAOYSA-N
rxn:4:211219:225201,Cc1nc(Cl)cnc1-c1ccc(OC2CCCC2)c(F)c1F,XTAKFLVTVYEQCV-UHFFFAOYSA-N
rxn:4:178748:223360,CNCc1cccc(-c2ccc(C#CC(F)(F)F)cc2)c1F,KFJVTGUIPPMUCD-UHFFFAOYSA-N
rxn:4:180875:223000,C#Cc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)c1,JNQFXJQHDLRPSM-UHFFFAOYSA-N
rxn:4:180949:223170,FC(F)c1cccc(-c2cnc(C3CCCNC3)nc2)c1Cl,LORZLUKVGIXNMH-UHFFFAOYSA-N
rxn:4:181018:223200,Fc1c(Cl)ccc(-c2ccc(C3CCNC3)cc2)c1C(F)(F)F,XIFOXPNPWNYIAZ-UHFFFAOYSA-N
rxn:4:186720:226815,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3ccsc3)nc2Cl)c1)N1CCCC1,UXNLSIIZPHMGFR-UHFFFAOYSA-N
rxn:4:192115:223312,Cc1cc(-c2ccc(C3CNC3)cc2)c([N+](=O)[O-])cc1C(F)(F)F,YZSKLQCPOWBLOR-UHFFFAOYSA-N
rxn:4:192881:223378,Fc1nc(OC2CCCC2)ccc1-c1cnc2c(c1)NCCO2,XXAMFEPOAZYXOK-UHFFFAOYSA-N
rxn:4:194992:223000,N#Cc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)c1F,GRUPCWUDYULRBK-UHFFFAOYSA-N
rxn:4:195110:225723,CN(C)CCOc1ccc(-c2nccc(C(F)F)c2Cl)cc1Cl,JGQFOWFLGMTQLU-UHFFFAOYSA-N
rxn:4:195129:223200,Cc1sc(C(F)(F)F)nc1-c1ccc(C2CCNC2)cc1,KPBOALVEESNUGJ-UHFFFAOYSA-N
rxn:4:195146:226466,CN1C(=O)COc2cc(-c3ccc(N=C=S)c(F)c3Cl)ccc21,OCXXMYMOHBJHRQ-UHFFFAOYSA-N
rxn:4:195367:225881,COc1ncc(-c2ccc(C3CCOCC3)nc2F)cc1F,CUDUVBXLBJAYND-UHFFFAOYSA-N
rxn:4:195541:223002,Cc1cc(N=C=S)ccc1-c1ccc(C2CCNCC2)cc1F,WBVZISLHNXCYEA-UHFFFAOYSA-N
rxn:4:195600:223146,Cc1cc(N=C=S)c(F)cc1-c1cccc(C2CNCCO2)c1,YTGSYSICTSEQMS-UHFFFAOYSA-N
rxn:4:195758:223059,Clc1cc(N2CCNCC2)ccc1-c1ncc(C2CCC2)s1,HHMVLPDFSXFKPL-UHFFFAOYSA-N
rxn:4:196616:228223,Fc1nc(C2CC2)ccc1-c1ccc(C2COCCO2)nc1F,XWPNDNDMYATPOU-UHFFFAOYSA-N
rxn:4:198271:222803,Cc1cncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c1F,LUCFZMOPNOVZBX-UHFFFAOYSA-N
rxn:4:198426:222803,FC(F)(F)c1cc(-c2cnc(Cl)c3sccc23)ccc1C1CCNC1,OUZGOFXVNFEBEG-UHFFFAOYSA-N
rxn:4:198843:222925,FC(F)(F)c1cc(-c2cnc3c(c2)CCC3)ccc1C1CNC1,PKTLEMNARJWMNR-UHFFFAOYSA-N
rxn:4:203190:225706,CC(C)n1cnc2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)c(F)cc21,CYJSQEUEKKONFK-UHFFFAOYSA-N
rxn:4:203190:227322,COc1c(-c2cnc(OCC3CC(F)(F)C3)nc2)cncc1C(C)C,KYMKHXNJBXIAIV-UHFFFAOYSA-N
rxn:4:205040:223004,N#Cc1cc([N+](=O)[O-])cc(Cl)c1-c1ccc(C2CCNCC2)c(F)c1,UHFHJSUJLIVXRZ-UHFFFAOYSA-N
rxn:4:205242:226432,Fc1nc(C2CCCC2)ccc1-c1cnc(OC2CC2)nc1,AYOAIWXLUGILIZ-UHFFFAOYSA-N
rxn:4:205264:225217,Cc1cc([N+](=O)[O-])cc(-c2cnc(N3CCCC(C)C3)cc2F)c1C#N,RLGWEXQYSZXPBI-UHFFFAOYSA-N
rxn:4:205979:225454,CN1CC=C(c2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)CC1,UXPGHZRRPYRMNV-UHFFFAOYSA-N
rxn:4:206043:228209,Cc1cc(Cl)c(-c2cnc(C#C[Si](C)(C)C)cn2)cc1C#N,TXFIJQIMJZBZKO-UHFFFAOYSA-N
rxn:4:208339:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cnc(S(F)(F)(F)(F)F)nc1,SYCREMRFMYALSH-UHFFFAOYSA-N
rxn:4:208515:223147,Clc1nc(C2CC2)ncc1-c1ccc(C2CNCCO2)cc1,RWCQNEQCAMWQLM-UHFFFAOYSA-N
rxn:4:208994:223002,Cc1nc(C2CC2)ncc1-c1ccc(C2CCNCC2)cc1F,LXDXAGDWZCNNJB-UHFFFAOYSA-N
rxn:4:209000:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C2CCC2)nc1Cl,ITWHURJCMQITTB-UHFFFAOYSA-N
rxn:4:217340:224705,CC1CCN(c2ccc(-c3cc([N+](=O)[O-])cc4nc[nH]c34)c(F)c2F)CC1,HUFBJKWQYGZSPW-UHFFFAOYSA-N
rxn:4:180898:223146,C#Cc1cc(F)c(-c2cccc(C3CNCCO3)c2)cc1Cl,JCPSKFMUZJDAGD-UHFFFAOYSA-N
rxn:4:181225:223200,CC(=O)c1cc(Cl)c(-c2ccc(C3CCNC3)cc2)cc1F,AZSMYRQPGRBGHR-UHFFFAOYSA-N
rxn:4:181710:223200,Fc1ccc(C2CCC2)cc1-c1ccc(C2CCNC2)cc1,JFWVBLNGHYZWTN-UHFFFAOYSA-N
rxn:4:181829:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CCOCC2)o1,UIPXPFGXCGKPLV-UHFFFAOYSA-N
rxn:4:182456:222849,N#Cc1cc(-c2cccc(F)c2Cl)ccc1C1CCNCC1,OAIMHEGOHRAOCL-UHFFFAOYSA-N
rxn:4:182884:223200,FC1(F)Oc2ccc(-c3ccc(C4CCNC4)cc3)cc2OC1(F)F,ZIDMDONRIBFSEP-UHFFFAOYSA-N
rxn:4:188122:224001,N#CCC(=O)c1ccc(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)c1,GSGWQIBBBHHFRA-UHFFFAOYSA-N
rxn:4:191259:223002,FCOc1ccc(-c2ccc(C3CCNCC3)cc2F)nc1,ZHAJNPPWTFRMJL-UHFFFAOYSA-N
rxn:4:191376:223147,C#Cc1cc(-c2ccc(C3CNCCO3)cc2)cc([N+](=O)[O-])c1,DFBLVUIYUXJJJF-UHFFFAOYSA-N
rxn:4:192812:222984,OC1CCN(Cc2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)C1,VESXNOLAEWLJCI-UHFFFAOYSA-N
rxn:4:194123:226572,COC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)c2[nH]ccc2c1,SWNCDQKPKDZBBG-UHFFFAOYSA-N
rxn:4:194518:223185,FS(F)(F)(F)(F)c1ccc2oc(-c3cccc(-c4cnc(C5CNCCO5)nc4)c3)nc2c1,WGKFFQXBRCADKE-UHFFFAOYSA-N
rxn:4:195071:225456,CN1CCC(c2ccc(-c3cc(F)cc(N=C=S)c3)cc2)CC1,QSEBCJGPHCMZOA-UHFFFAOYSA-N
rxn:4:195153:223147,O=[N+]([O-])c1cc(-c2ccc(C3CNCCO3)cc2)c(F)cc1Cl,XNWAVVHBJLPNIH-UHFFFAOYSA-N
rxn:4:195177:223200,O=[N+]([O-])c1cc(-c2ccc(C3CCNC3)cc2)c(F)cc1F,ZUXMVOFSFTVLGF-UHFFFAOYSA-N
rxn:4:195195:225723,CN(C)CCOc1ccc(-c2ccc(C(F)(F)F)nc2Cl)cc1Cl,GNUXDSZBMQCOOZ-UHFFFAOYSA-N
rxn:4:195264:223004,Fc1cc(-c2cnc(C3CC3)s2)ccc1C1CCNCC1,FVTLWNAJTVKNFG-UHFFFAOYSA-N
rxn:4:195283:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(C2CC2)ns1,FSXKZRZEUKNJJR-UHFFFAOYSA-N
rxn:4:196226:226572,Cc1cc(C2CC2)ncc1-c1cnc(OC2CCCC2)nc1,MHFIPQAPKYAKNT-UHFFFAOYSA-N
rxn:4:196606:223312,CC1(c2cncc(-c3ccc(C4CNC4)cc3)c2)OCCO1,ABMKZDVGKIODEZ-UHFFFAOYSA-N
rxn:4:197342:225201,CC(=O)c1cc(-c2ccc(OC3CCCC3)c(F)c2F)cc2[nH]ccc12,VZHOQTREXFFVHI-UHFFFAOYSA-N
rxn:4:198286:222925,Cc1nc(Cl)c(F)cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,JYHDOVJDLSPGMH-UHFFFAOYSA-N
rxn:4:198287:222925,Cc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cnc(Cl)c1F,NJDDXWWBTACORQ-UHFFFAOYSA-N
rxn:4:201294:228365,N#Cc1cc(-c2cnc(C3CC3)nc2Cl)cnc1OCC1CC1,OKEIPYRBYVADCY-UHFFFAOYSA-N
rxn:4:201294:228625,CCc1ccc(-c2cnc(OCC3CC3)c(C#N)c2)c(F)c1,OIUFINKWNXWZAJ-UHFFFAOYSA-N
rxn:4:202978:226031,O=C([O-])[CH+]C=Cc1ncc(-c2ccc(C(F)(F)F)cc2C(F)F)cn1,DZTFGKOQCYTMFG-UHFFFAOYSA-N
rxn:4:203190:226692,Cc1noc(C)c1-c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)s1,QTMVWQIDKSCVNE-UHFFFAOYSA-N
rxn:4:205040:225674,N#Cc1cc([N+](=O)[O-])cc(Cl)c1-c1cnc(C2CCCCC2)cc1F,RNQYQHZFCAONCF-UHFFFAOYSA-N
rxn:4:208261:225469,C#Cc1ncc(-c2ccc(N3CCCC(C)C3)cc2)c(C)n1,MKCLINPRKXSODE-UHFFFAOYSA-N
rxn:4:208261:225679,C#Cc1ncc(-c2ccc(N3CCCCC3)cc2F)c(C)n1,DLOHNNSFWXCRNY-UHFFFAOYSA-N
rxn:4:208339:223137,FS(F)(F)(F)(F)c1ncc(-c2cncc(C3CCCNC3)c2)cn1,RSXVLJVZEXOOSZ-UHFFFAOYSA-N
rxn:4:208769:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)cnn1C1CC1,IZCKAGIRYYHROA-UHFFFAOYSA-N
rxn:4:208994:223059,Cc1nc(C2CC2)ncc1-c1ccc(N2CCNCC2)cc1Cl,MKDGKXLGLMJSDC-UHFFFAOYSA-N
rxn:4:209769:223312,FC1(F)CCCN(c2cc(-c3ccc(C4CNC4)cc3)ccn2)C1,LIHAGDXQNUWJAA-UHFFFAOYSA-N
rxn:4:211495:222803,FC(F)(F)c1cc(-c2cc3[nH]ncc3cc2Cl)ccc1C1CCNC1,NQZLDESVOCCVLN-UHFFFAOYSA-N
rxn:4:217545:225053,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCCCC3C)cc2F)c2[nH]ncc12,MPXHWQRKIXKCKL-UHFFFAOYSA-N
rxn:4:174000:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1OCCCC(F)(F)F,CBMLAKUUVZQXSX-UHFFFAOYSA-N
rxn:4:178992:223147,CCSc1ccc(-c2ccc(C3CNCCO3)cc2)c(Cl)c1,XYHNKBYRVDZMCG-UHFFFAOYSA-N
rxn:4:179268:223242,FC1(F)CC1Oc1ccc(-c2ccnc(C3CCNC3)c2)cc1,DLLZBOZXJIWLAR-UHFFFAOYSA-N
rxn:4:179268:223311,FC1(F)CC1Oc1ccc(-c2cccc(C3CNC3)c2)cc1,AZDZPUNJITUVNI-UHFFFAOYSA-N
rxn:4:179637:223147,FC(F)(F)c1ccc(-c2ccc(C3CNCCO3)cc2)cc1C1CC1,BUODEUYQMNYAQH-UHFFFAOYSA-N
rxn:4:180926:223147,FCc1c(F)ccc(-c2ccc(C3CNCCO3)cc2)c1Cl,NVCSWJFQDJIJEW-UHFFFAOYSA-N
rxn:4:180958:223004,Fc1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1C(F)F,JGCZTDDEZWAAAC-UHFFFAOYSA-N
rxn:4:181410:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(C2CC2)ccc1Cl,AJZSJECIBNGAAR-UHFFFAOYSA-N
rxn:4:181720:223312,FC1(F)CC(c2cccc(-c3ccc(C4CNC4)cc3)c2)C1,RQXLZCFGFDJIGI-UHFFFAOYSA-N
rxn:4:181796:222405,O=C1NC(=O)C(c2cccc(-c3cc(F)c(-c4ccc(F)cc4)c(F)c3)c2)N1,WBKVCQXXNMYUJM-UHFFFAOYSA-N
rxn:4:182015:228968,CSc1ncc(-c2ccc(C3CCOCC3)cc2F)c(Cl)n1,BUKICTBZTKLSLZ-UHFFFAOYSA-N
rxn:4:182478:223059,Fc1ccc(-c2ccc(N3CCNCC3)cc2Cl)c(F)c1F,SCRDODXRIZYDFI-UHFFFAOYSA-N
rxn:4:182529:223000,Cc1c(-c2ccc(C3CCCNC3)c(F)c2)ccc(Cl)c1F,GEMZAENZVBXSIM-UHFFFAOYSA-N
rxn:4:182900:223147,Fc1cc2c(cc1-c1ccc(C3CNCCO3)cc1)CCC2,WWQRFTDXRJIVGW-UHFFFAOYSA-N
rxn:4:188129:223199,FC(F)(F)COc1ccc(-c2cccc(C3CCNC3)c2)nc1,IIDSCNDRCAJTDX-UHFFFAOYSA-N
rxn:4:188175:223241,O=[N+]([O-])c1cc(OC(F)F)cc(F)c1-c1cncc(C2CCNC2)c1,OCPGODMJVRPSPR-UHFFFAOYSA-N
rxn:4:189202:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1,RIVSUDALCKQFQA-UHFFFAOYSA-N
rxn:4:191389:223200,O=C(c1ccc(-c2ccc(C3CCNC3)cc2)cn1)C(F)(F)F,KKMYZIABJQYXMT-UHFFFAOYSA-N
rxn:4:194871:222959,Cc1cc(-c2cnc(C(F)F)s2)ccc1C1CCNCC1,IGRWXWQORGXZQW-UHFFFAOYSA-N
rxn:4:195071:225923,Fc1cc(N=C=S)cc(-c2cnc(OC3CCCC3)nc2Cl)c1,HATNPLOEZLYPQT-UHFFFAOYSA-N
rxn:4:195146:227022,Fc1c(N=C=S)ccc(-c2ccc(CN3CCC3)cc2)c1Cl,CDPWGZJXRFFWEQ-UHFFFAOYSA-N
rxn:4:195172:227631,CC(C)(C)c1ncc(-c2cc(F)c(Cl)c([N+](=O)[O-])c2)c(Cl)n1,RPEFIZJRWYEDAQ-UHFFFAOYSA-N
rxn:4:195599:223007,Cc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(Cl)cc1N=C=S,UZRHWOCKVUGLCK-UHFFFAOYSA-N
rxn:4:195606:223147,Cc1c(Cl)cc(-c2ccc(C3CNCCO3)cc2)cc1[N+](=O)[O-],SHUYFHYJALNIAC-UHFFFAOYSA-N
rxn:4:196643:227625,CC1(c2cc(-c3cnc(C4CCCO4)nc3)ccn2)CCC1,MGYGARHBKRXPHG-UHFFFAOYSA-N
rxn:4:196856:223306,c1cc(C2CCCCO2)ncc1-c1ccc2c(c1)CNCC2,UDMCVQHYDXQLFY-UHFFFAOYSA-N
rxn:4:197448:226323,CC(=O)n1cc(-c2ccc(OC3CCCC3)nc2)c2cc(F)ccc21,KSQOMMWBGBRPQS-UHFFFAOYSA-N
rxn:4:197488:227625,c1ncc(C23CC(C2)C3)cc1-c1cnc(C2CCCO2)nc1,VORIMXREJLWYRU-UHFFFAOYSA-N
rxn:4:203067:228001,CC(C)c1cc(-c2cnc(OCC3CCO3)cn2)ccc1Cl,IHWDXISAXQXDCE-UHFFFAOYSA-N
rxn:4:203190:227550,CCOc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)c1Cl,ONOAESVWGGQKJZ-UHFFFAOYSA-N
rxn:4:205350:226572,N#Cc1c(-c2cnc(OC3CCCC3)nc2)cncc1C1CC1,UNDQFVMLTCGYTJ-UHFFFAOYSA-N
rxn:4:206288:227793,Cc1cc(-c2cc([N+](=O)[O-])c(Cl)cc2F)ccc1-c1nc(C(F)(F)F)c[nH]1,MFDSAEKANBWBCY-UHFFFAOYSA-N
rxn:4:208093:224702,Cc1c(-c2ccc(F)nc2C#N)cc(F)c(OC2CCCC2)c1F,VEHBJPUFJQHHQC-UHFFFAOYSA-N
rxn:4:208994:223043,Cc1nc(C2CC2)ncc1-c1ccc(C(=O)NC2CC2)c(Cl)c1,PFAKZOPZCMQYCT-UHFFFAOYSA-N
rxn:4:209631:228223,Fc1nc(C2CC2)ccc1-c1cnc(C2CCCCO2)nc1,JPUZHDATXCXODG-UHFFFAOYSA-N
rxn:4:209963:225061,CC1CCN(c2ccc(-c3cc([N+](=O)[O-])cc4cc[nH]c34)c(F)c2)CC1,WKBOUTTZLUUUGE-UHFFFAOYSA-N
rxn:4:211201:225201,Cn1c(-c2ccc(OC3CCCC3)c(F)c2F)cnc1F,VZNVWKHKNSDYOV-UHFFFAOYSA-N
rxn:4:217545:226174,Cc1c([N+](=O)[O-])cc(-c2ccc(C3CCCCC3)nc2)c2[nH]ncc12,MDLPHGYNNLVNCU-UHFFFAOYSA-N
rxn:4:175671:222405,COc1cc(-c2ccccc2OC(F)(F)F)ccc1-c1cccc(C2NC(=O)NC2=O)c1,FAGVVZVZYCCYKA-UHFFFAOYSA-N
rxn:4:176830:223059,Cc1cc(OCC(F)F)ccc1-c1ccc(N2CCNCC2)cc1Cl,SXWWIPFIEXYVDH-UHFFFAOYSA-N
rxn:4:178636:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(SC(F)(F)F)cc1,JSPQKJRDOQMBNJ-UHFFFAOYSA-N
rxn:4:178636:223142,FC(F)(F)Sc1ccc(-c2ccc(C3CCCNC3)nc2)cc1,RDZBMWJVQWAZMX-UHFFFAOYSA-N
rxn:4:178649:223147,Fc1c(OC(F)F)cccc1-c1ccc(C2CNCCO2)cc1,SGWROPQRGRYABX-UHFFFAOYSA-N
rxn:4:178746:223200,FC(F)=C(F)Oc1ccc(-c2ccc(C3CCNC3)cc2)cc1,FKBQWDMWOZTINU-UHFFFAOYSA-N
rxn:4:179802:223312,CC(=O)C1CC1c1ccc(-c2ccc(C3CNC3)cc2)cc1,XMFPQGREFCWKSB-UHFFFAOYSA-N
rxn:4:181026:223147,Fc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CNCCO2)cc1,BXJOYWYUPLCAER-UHFFFAOYSA-N
rxn:4:181734:223312,CC1(c2cc(F)cc(-c3ccc(C4CNC4)cc3)c2)CC1(F)F,VVSLVMYLUSBFLF-UHFFFAOYSA-N
rxn:4:185783:226005,N#Cc1cc(-c2ccc(OCC(F)(F)F)c(F)c2)ccc1OC[C@H]1CO1,UHWRJEBRTWWFFU-CQSZACIVSA-N
rxn:4:189530:228247,CC(=O)c1ccc(F)c(-c2cnc(OCC3CCC3)cc2C)c1,ONYFIYICMZUWNZ-UHFFFAOYSA-N
rxn:4:191817:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)cnc1OC(F)(F)F,IRIVFFBHCSOQBS-UHFFFAOYSA-N
rxn:4:194579:223385,ON=Cc1ccc(Cl)c(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1,MFFNZFZIGGOSFU-UHFFFAOYSA-N
rxn:4:195159:225456,CN1CCC(c2ccc(-c3cc([N+](=O)[O-])c(F)cc3Cl)cc2)CC1,ZWNWHUHXHRIICH-UHFFFAOYSA-N
rxn:4:195262:223005,Clc1cc(-c2ncc(C3CC3)s2)ccc1C1CCNCC1,DGZSOTBFRTZUSW-UHFFFAOYSA-N
rxn:4:195496:223146,FS(F)(F)(F)(F)c1ccc(-c2cccc(C3CNCCO3)c2)cn1,PUBQKSZRHPBBGZ-UHFFFAOYSA-N
rxn:4:195622:223200,Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C2CCNC2)cc1,KTHXNFHBEXKIRV-UHFFFAOYSA-N
rxn:4:195768:225201,COc1ccc(-c2ccc(OC3CCCC3)c(F)c2F)c(C)n1,YCPPJVDDBXHUHF-UHFFFAOYSA-N
rxn:4:196285:228308,CCOc1ncc(-c2cncc(C3(C)CC3(F)F)c2)c(C)n1,RXCIONKBHPWERP-UHFFFAOYSA-N
rxn:4:196680:223312,Clc1cc(-c2ccc(C3CNC3)cc2)ccc1N1CCCC1,ABJOZBUSMAKUFJ-UHFFFAOYSA-N
rxn:4:196867:227682,N#Cc1cc(-c2ccc(C3CCOCC3)nc2F)cc([N+](=O)[O-])c1,LZSAZNODKIHZLQ-UHFFFAOYSA-N
rxn:4:196868:227988,Fc1nc(C2CCCCO2)ccc1-c1cccc(C2CC2)c1F,BIBTWZITLAWSNO-UHFFFAOYSA-N
rxn:4:196868:228265,CC(=O)c1cc(-c2ccc(C3CCCCO3)nc2F)ccc1Cl,ZAGMEBNFPAYQCG-UHFFFAOYSA-N
rxn:4:198293:225201,Cc1cc[n+]([O-])cc1-c1ccc(OC2CCCC2)c(F)c1F,FJWMIYVTNRISAD-UHFFFAOYSA-N
rxn:4:198296:225201,Cc1c[n+]([O-])ccc1-c1ccc(OC2CCCC2)c(F)c1F,UONOCKMWDZDADS-UHFFFAOYSA-N
rxn:4:198299:225201,Cc1cc(Cl)c(-c2ccc(OC3CCCC3)c(F)c2F)c[n+]1[O-],XUSWBYPHGGZAPQ-UHFFFAOYSA-N
rxn:4:201287:228221,CC(F)(F)COc1ncc(-c2cc(F)nc(C3CC3)c2)cc1C#N,ZBNNMKDTNNBBJG-UHFFFAOYSA-N
rxn:4:202978:227124,CC(C)(C)c1ccc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)c(F)c1,XQGYQCOYNKGCPV-UHFFFAOYSA-N
rxn:4:203190:229072,CSc1cncc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,WUAQJQHLEMWXLH-UHFFFAOYSA-N
rxn:4:205009:225201,N#CCc1cnc(F)c(-c2ccc(OC3CCCC3)c(F)c2F)c1,SMNGTWDNXDTPDZ-UHFFFAOYSA-N
rxn:4:205037:223059,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(N2CCNCC2)cc1Cl,SFCLWEVKQSDGJG-UHFFFAOYSA-N
rxn:4:205264:225183,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC3CCCCC3)nc2F)c1C#N,XLDDMRDNXVRWRL-UHFFFAOYSA-N
rxn:4:206480:228021,CC(=O)c1cc(C)cc(-c2cnc(OC3CCCCC3)cn2)c1,XPKDSKOSMDQHTJ-UHFFFAOYSA-N
rxn:4:207136:225201,COC(=O)c1cc(-c2ccc(OC3CCCC3)c(F)c2F)c2[nH]ncc2c1,GCPTUYNYUJFLJG-UHFFFAOYSA-N
rxn:4:208261:225554,C#Cc1ncc(-c2ccc(OC(C)(C)C)c(C#N)c2)c(C)n1,CFQXLNWTFRYJKY-UHFFFAOYSA-N
rxn:4:208261:225664,C#Cc1ncc(-c2ccc(N3CCCCC3)cc2Cl)c(C)n1,KMMWVWHMACSBRY-UHFFFAOYSA-N
rxn:4:208389:225881,Cc1ncc([N+](=O)[O-])cc1-c1ccc(C2CCOCC2)nc1F,NCYLSBWTXOYNQF-UHFFFAOYSA-N
rxn:4:208591:223200,FC1(F)CC1c1cnc(-c2ccc(C3CCNC3)cc2)cn1,XCQJEFHSSXVCJJ-UHFFFAOYSA-N
rxn:4:210587:225794,CC(=O)c1c[nH]c2c(-c3cnc(OC4CCCCC4)nc3)cnc(C)c12,LDGLRUHMIULIFB-UHFFFAOYSA-N
rxn:4:217244:225197,N#Cc1c[nH]c2c(-c3cc(F)c(OC4CCCC4)c(Cl)c3)ccnc12,UFGRXNJTBPUOKS-UHFFFAOYSA-N
rxn:4:217357:225879,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)cc2F)cc2[nH]nc(Cl)c12,PSCQAQPPSCWUNJ-UHFFFAOYSA-N
rxn:4:176907:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)ccc1OCC(F)(F)F,OCWDNBFMEMTQMK-UHFFFAOYSA-N
rxn:4:178748:223241,FC(F)(F)C#Cc1ccc(-c2cncc(C3CCNC3)c2)cc1,LJMIOGUIGTVLOX-UHFFFAOYSA-N
rxn:4:178771:223360,CNCc1cccc(-c2ccc(C#CC(F)(F)F)c(F)c2)c1F,HYVLYYOGMLLYBV-UHFFFAOYSA-N
rxn:4:180080:223311,c1cc(-c2ccc(OC3CCCC3)cc2)cc(C2CNC2)c1,LAGVMQUZAPIPGT-UHFFFAOYSA-N
rxn:4:181001:223004,Fc1cc(-c2cccc(C(F)(F)F)c2F)ccc1C1CCNCC1,KBGIEQBVCAJCMQ-UHFFFAOYSA-N
rxn:4:181011:223000,Fc1cc(-c2c(F)cc(C(F)F)cc2F)ccc1C1CCCNC1,NPSKUFMTIWBITQ-UHFFFAOYSA-N
rxn:4:181401:223147,c1cc(C2CNCCO2)ccc1-c1cc(C2CCC2)co1,HXCBJKSSEGGGSI-UHFFFAOYSA-N
rxn:4:181410:223139,Clc1ccc(C2CC2)cc1-c1ccc(C2CCNCC2)nc1,DDUVFROFXGODTQ-UHFFFAOYSA-N
rxn:4:181632:223312,Fc1cc(-c2ccc(C3CNC3)cc2)ccc1C1OCCO1,AFEWUYVQACUIAV-UHFFFAOYSA-N
rxn:4:182521:223062,Cc1cc(F)cc(Cl)c1-c1cnc(C2CCNCC2)cc1F,PWLFKAZLXLIBHO-UHFFFAOYSA-N
rxn:4:186742:226813,O=C(c1cc(OC(F)(F)F)cc(-c2ccc(-c3cncs3)nc2F)c1)N1CCCC1,JNVKSGXSPNJQGO-UHFFFAOYSA-N
rxn:4:191302:223000,Fc1cc(-c2ncc(OC(F)F)cc2F)ccc1C1CCCNC1,DDLJRPBIVDLXSB-UHFFFAOYSA-N
rxn:4:192580:228229,O=c1cc(-c2cnc(OC3CCSC3)c(F)c2)ccn1C1CC1,WZLCRZLOJBSHAX-UHFFFAOYSA-N
rxn:4:194579:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2cc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1,HQVJQRSELAJMBS-UHFFFAOYSA-N
rxn:4:195078:225677,O=[N+]([O-])c1cc(Cl)cc(-c2ccc(C3CCCCC3)nc2F)c1,QIQFEYGRBRRHFJ-UHFFFAOYSA-N
rxn:4:195177:223147,O=[N+]([O-])c1cc(-c2ccc(C3CNCCO3)cc2)c(F)cc1F,ZBMJNCKOHHJMLT-UHFFFAOYSA-N
rxn:4:195369:225881,CSc1ncc(-c2ccc(C3CCOCC3)nc2F)cc1F,MZQZDLZPFQITGF-UHFFFAOYSA-N
rxn:4:195593:226572,Cc1ncc(-c2cnc(OC3CCCC3)nc2)cc1C(F)F,VYNKLMAMLAAMHF-UHFFFAOYSA-N
rxn:4:195607:223147,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc(C2CNCCO2)cc1,DHUKUSXGWLGURM-UHFFFAOYSA-N
rxn:4:195622:226327,Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C2(C#N)CC2)cc1Cl,RGNMJCIEALNVGS-UHFFFAOYSA-N
rxn:4:195640:223002,Cc1cc([N+](=O)[O-])c(F)cc1-c1ccc(C2CCNCC2)cc1F,QFDQZMPGAFTVNA-UHFFFAOYSA-N
rxn:4:195820:226331,N#CC1(c2ccc(-c3cnc(Cl)c(C4CC4)c3F)c(F)c2)CC1,GVOMHLWJPAQVKX-UHFFFAOYSA-N
rxn:4:196526:222925,Fc1nc(C2CCOC2)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,UKLNJIYQTXWIHC-UHFFFAOYSA-N
rxn:4:196661:223200,Cc1cc(C2CCC2)ncc1-c1ccc(C2CCNC2)cc1,QKLFSGRWHQUMRA-UHFFFAOYSA-N
rxn:4:198287:225456,Cc1c(-c2ccc(C3CCN(C)CC3)cc2)cnc(Cl)c1F,TVKIQEINOKEBAU-UHFFFAOYSA-N
rxn:4:198413:222803,FC(F)(F)c1cc(-c2ccc3c(Cl)noc3c2)ccc1C1CCNC1,HIEWJKGVNVYAGC-UHFFFAOYSA-N
rxn:4:201294:228584,N#Cc1cc(-c2ccnc(C3CC3)c2)cnc1OCC1CC1,JZARLNUJUUSROM-UHFFFAOYSA-N
rxn:4:201294:228766,CCc1ccc(-c2cnc(OCC3CC3)c(C#N)c2)c(F)n1,RQVRFBFXMJWJGC-UHFFFAOYSA-N
rxn:4:202978:227757,O=C([O-])[CH+]C=Cc1ncc(-c2cc(Cl)cc(C(F)(F)F)c2)cn1,WXFRCIPRSGHOLN-UHFFFAOYSA-N
rxn:4:205847:226155,CC(=O)c1cc(-c2ccc(-c3nc(C(F)(F)F)c[nH]3)cc2F)cc(C2CC2)c1,IXAFYSGWAQQPOT-UHFFFAOYSA-N
rxn:4:206044:227957,Cc1nc(C(C)C)ccc1-c1cnc(OC2CCCC2)nc1,LJKVAIZXESXWSH-UHFFFAOYSA-N
rxn:4:207613:223378,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cnc5c(c4)NCCO5)cc3)nc2c1,LZECSFDCVPPYQL-UHFFFAOYSA-N
rxn:4:208232:223062,CSc1ncc(-c2cnc(C3CCNCC3)cc2F)c(Cl)n1,LZQKJBCDLNGRJL-UHFFFAOYSA-N
rxn:4:208261:225203,C#Cc1ncc(-c2cc(C(F)(F)F)c(C3CC3)cc2C)c(C)n1,XLNZFCBBRCVZAR-UHFFFAOYSA-N
rxn:4:208378:225201,Fc1c(OC2CCCC2)ccc(-c2ncn(C3CC3)c2F)c1F,QKNRWRBRNXTTKE-UHFFFAOYSA-N
rxn:4:209429:223312,c1cc(C2CNC2)ccc1-c1cnc(N2CCCCC2)s1,ULNGNSHZZHLGFM-UHFFFAOYSA-N
rxn:4:210435:226264,CCCCOc1ccc(-c2cc([N+](=O)[O-])c3cc(C)[nH]c3c2)c(F)c1,HFYLMSIGWXSTFX-UHFFFAOYSA-N
rxn:4:211342:222803,Fc1cc2nsnc2cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,WKWFVJQOMIFIBY-UHFFFAOYSA-N
rxn:4:211620:222803,Fc1n[nH]c2cc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)ccc12,UIZBBNDPCBNRHT-UHFFFAOYSA-N
rxn:4:174838:223312,FC(F)=C(COc1ccc(-c2ccc(C3CNC3)cc2)cc1)C(F)(F)F,UYWLZULYDHIYJP-UHFFFAOYSA-N
rxn:4:176364:223312,FC(F)(F)CSc1cccc(-c2ccc(C3CNC3)cc2)c1,KYYACPQLENWDSS-UHFFFAOYSA-N
rxn:4:177415:223360,CNCc1cccc(-c2ccc(OCC3CCC3)cc2)c1F,OWJGNHJITJCHRO-UHFFFAOYSA-N
rxn:4:178624:223242,FC(F)Oc1ccc(-c2ccnc(C3CCNC3)c2)cc1Cl,KCNQWCHNWKGCHG-UHFFFAOYSA-N
rxn:4:178658:223312,Fc1cc(-c2ccc(C3CNC3)cc2)cc(Cl)c1OC(F)F,MZCRSJZIYINGGD-UHFFFAOYSA-N
rxn:4:178724:223239,FC(F)=COc1cccc(-c2cncc(C3CCCN3)c2)c1,UJBNHVOOGHFFRA-UHFFFAOYSA-N
rxn:4:178927:223312,COC(=O)c1c(F)cc(-c2ccc(C3CNC3)cc2)c(Cl)c1F,NCBCFFUOJLNGMV-UHFFFAOYSA-N
rxn:4:180941:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(C(F)F)ccc1Cl,IYWDWMWZFKYOPJ-UHFFFAOYSA-N
rxn:4:180977:223200,Fc1ccc(-c2ccc(C3CCNC3)cc2)c(C(F)F)c1F,MZLZZJYCFAPENZ-UHFFFAOYSA-N
rxn:4:181165:223200,COc1c(F)c(F)cc(-c2ccc(C3CCNC3)cc2)c1F,MUCXZVKQOOZAFM-UHFFFAOYSA-N
rxn:4:181180:223000,C#Cc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(C)c1,CQVOWPDLVTVYQQ-UHFFFAOYSA-N
rxn:4:182468:223005,Fc1cc(Cl)cc(F)c1-c1ccc(C2CCNCC2)c(Cl)c1,DZSBCELAOQFQRA-UHFFFAOYSA-N
rxn:4:182792:223200,O=C1CCCc2cc(-c3ccc(C4CCNC4)cc3)sc21,LCZAMHTZHVCKNY-UHFFFAOYSA-N
rxn:4:186879:226815,O=[N+]([O-])c1cc(OCC2CCOCC2)cc(-c2cnc(-c3ccsc3)nc2Cl)c1,JJEROPXRXWKEBL-UHFFFAOYSA-N
rxn:4:188031:223147,FC(F)COc1nc(-c2ccc(C3CNCCO3)cc2)cs1,IEKBXEMMNZBZIJ-UHFFFAOYSA-N
rxn:4:188746:223203,OC1(c2cccc(-c3ccc(OCC4CC4(F)F)cn3)c2)CCC1,ZWBADVMXLZKWRP-UHFFFAOYSA-N
rxn:4:191773:228216,COc1c(F)cc(-c2cncc(C3CC3)c2Cl)cc1[N+](=O)[O-],LALOAJLFZOHEEZ-UHFFFAOYSA-N
rxn:4:192580:228864,CCOc1ncc(-c2cnc(OC3CCSC3)c(F)c2)cn1,OFERBHUEFTWVLF-UHFFFAOYSA-N
rxn:4:194579:223147,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CNCCO5)cc4)cc3)[nH]c2c1,IFXHSZKFRYWYAO-UHFFFAOYSA-N
rxn:4:194923:225201,CC(=O)c1cc(-c2ccc(OC3CCCC3)c(F)c2F)no1,FXWAXHIJUKFLBI-UHFFFAOYSA-N
rxn:4:195062:225601,N#CC1(c2ccc(-c3ccc(N=C=S)cc3Cl)c(F)c2)CCC1,GYPYANTYRWPQCM-UHFFFAOYSA-N
rxn:4:195065:223142,Fc1ccc(N=C=S)cc1-c1ccc(C2CCCNC2)nc1,XPVOEANZOXAHPF-UHFFFAOYSA-N
rxn:4:195643:223002,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCNCC3)cc2F)c1F,UMOZVHWFDRLRGC-UHFFFAOYSA-N
rxn:4:195734:223000,Fc1cc(-c2ccnc(C3CC3)c2)ccc1C1CCCNC1,XGHZFFUZQHRITM-UHFFFAOYSA-N
rxn:4:195758:223142,c1cc(C2CCCNC2)ncc1-c1ncc(C2CCC2)s1,LCKIPJXFLNCRNX-UHFFFAOYSA-N
rxn:4:195810:225806,Fc1cc(OC2CCCC2)ncc1-c1ccnc(C2CC2)c1F,RZJGKXPTYKRXHP-UHFFFAOYSA-N
rxn:4:195810:226116,Cc1cc(-c2ccnc(C3CC3)c2F)ccc1OCC1CC1,KHRDBPVRNRGCSA-UHFFFAOYSA-N
rxn:4:196105:225674,CN(C)c1ccc(F)c(-c2cnc(C3CCCCC3)cc2F)c1,MRGLAVCFHIHIKL-UHFFFAOYSA-N
rxn:4:198323:222925,Cc1cc(Cl)nc(C)c1-c1ccc(C2CNC2)c(C(F)(F)F)c1,ZTDFKNCICDREFZ-UHFFFAOYSA-N
rxn:4:201294:226340,N#Cc1cc(-c2cnc(OCC3CC3)c(C#N)c2)c(Cl)c(C2CC2)c1,BAGZVHOGMUNOLD-UHFFFAOYSA-N
rxn:4:202859:223200,FC(F)(F)COc1ccc(-c2ccc(C3CCNC3)cc2)nn1,WGZGJMAIPOXHPC-UHFFFAOYSA-N
rxn:4:205264:226277,Cc1cc([N+](=O)[O-])cc(-c2ccc(OCC(C)(C)C)nc2)c1C#N,PINMERUWXYZOBU-UHFFFAOYSA-N
rxn:4:205264:227954,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCC3)nc2)c1C#N,URAVQIZUIHYEKE-UHFFFAOYSA-N
rxn:4:206042:228226,Cc1c(Cl)cc(C#N)cc1-c1ncc(C#C[Si](C)(C)C)cn1,BVZMKQAITDWYRE-UHFFFAOYSA-N
rxn:4:207613:222413,Cc1cc(S(N)(=O)=O)ccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1,NOOHRMPBPKBGES-UHFFFAOYSA-N
rxn:4:208261:222655,C#Cc1ncc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)c(C)n1,OJTGODPVYYRQGN-UHFFFAOYSA-N
rxn:4:208261:226425,C#Cc1ncc(-c2ccc(N3CCCCC3C)s2)c(C)n1,HREMCVAIOBMXDG-UHFFFAOYSA-N
rxn:4:209622:227311,CCC(C)c1cc(F)c(-c2cnc(C3=CCCCC3)cn2)cn1,OXCLCAICYRTKNG-UHFFFAOYSA-N
rxn:4:209631:226155,CC(=O)c1cc(-c2cnc(C3CCCCO3)nc2)cc(C2CC2)c1,DJVWFQCWKVDKMN-UHFFFAOYSA-N
rxn:4:209956:225806,N#Cc1c[nH]c2cc(F)c(-c3cnc(OC4CCCC4)cc3F)cc12,OOQAGWOLTHXGDA-UHFFFAOYSA-N
rxn:4:211477:222803,FC(F)(F)c1cc(-c2ccc3nccn3c2Cl)ccc1C1CCNC1,AMTJDZSLNAUJDE-UHFFFAOYSA-N
rxn:4:224331:192506,CC(C)c1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,DRFUOCPANLBAQB-UHFFFAOYSA-N
rxn:4:226325:188744,COc1cc(-c2ccc(C(C)(C)C#N)cc2F)ccc1C=C[N+](=O)[O-],ILWYBGHGKRIOAL-UHFFFAOYSA-N
rxn:4:176484:223281,C#CCc1ccc(-c2ccc(C3(O)COC3)nc2)cc1C(F)(F)F,NLQKPXYZGOBEBH-UHFFFAOYSA-N
rxn:4:177125:223312,CCOC(=O)c1ccc(-c2ccc(C3CNC3)cc2)cc1C,JQBGMUPTYRYCMO-UHFFFAOYSA-N
rxn:4:177888:223312,O=S(=O)(CC1CC(F)(F)C1)c1ccc(-c2ccc(C3CNC3)cc2)cc1,WGFIVQJTKKKKQW-UHFFFAOYSA-N
rxn:4:178636:223147,FC(F)(F)Sc1ccc(-c2ccc(C3CNCCO3)cc2)cc1,HTRGJJQFPLAUAQ-UHFFFAOYSA-N
rxn:4:179033:223002,Cc1cc(OC(F)F)ccc1-c1ccc(C2CCNCC2)cc1F,ICLGPGDCTQBVAY-UHFFFAOYSA-N
rxn:4:180865:223139,FC(F)(F)c1ccc(-c2ccc(C3CCNCC3)nc2)o1,NXGJONSQFFIUND-UHFFFAOYSA-N
rxn:4:181396:226025,CSc1cccc(-c2cnc(OC3CCOC3)nc2Cl)c1C,UUXDZLBCIAPQPP-UHFFFAOYSA-N
rxn:4:182524:223002,Cc1cc(-c2ccc(C3CCNCC3)cc2F)c(Cl)cc1F,NBOKQUIVFVFYKS-UHFFFAOYSA-N
rxn:4:186750:226816,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3ccoc3)nc2Cl)c1)N1CCC(F)(F)C1,BDHHQQXBRXLDMY-UHFFFAOYSA-N
rxn:4:189785:225839,COc1c(-c2cnc(-c3cccc(F)c3)nc2)cc([N+](=O)[O-])cc1C(C)(C)C,IYZNFFQAEUBVRV-UHFFFAOYSA-N
rxn:4:191400:222485,Cc1cccc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2F)c1C,HEXDKXKYTMQXAX-UHFFFAOYSA-N
rxn:4:192111:225881,N#Cc1cc(-c2ccc(C3CCOCC3)nc2F)cc(C2CC2(F)F)c1,HCWNOBBPFKKJJN-UHFFFAOYSA-N
rxn:4:193287:224386,O=C(c1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)c(F)c1F)N1CCOCC1,PLPUOVQARSEQHV-UHFFFAOYSA-N
rxn:4:195076:223147,O=[N+]([O-])c1cc(-c2ccc(C3CNCCO3)cc2)ccc1Cl,VSBQQJBFYUHXRM-UHFFFAOYSA-N
rxn:4:195095:223147,FC(F)c1cc(-c2ccc(C3CNCCO3)cc2)cnc1Cl,RBLPCOLCCQBVGV-UHFFFAOYSA-N
rxn:4:195103:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(Cl)nc1C(F)F,FNCAARYLRYXKAK-UHFFFAOYSA-N
rxn:4:195128:223000,Fc1cc(-c2cnc(F)c(C(F)F)c2)ccc1C1CCCNC1,WMZVUJAJJDKETG-UHFFFAOYSA-N
rxn:4:195151:227023,CC(c1ccc(-c2ccc(N=C=S)c(F)c2F)cc1)N(C)C,LKVKNPQDKGCIOF-UHFFFAOYSA-N
rxn:4:195153:223199,O=[N+]([O-])c1cc(-c2cccc(C3CCNC3)c2)c(F)cc1Cl,IQHITHZMOMBKQQ-UHFFFAOYSA-N
rxn:4:195206:223005,FC(F)(F)c1ccnc(-c2ccc(C3CCNCC3)c(Cl)c2)c1Cl,CLPUKZUNMGLSCU-UHFFFAOYSA-N
rxn:4:195541:223005,Cc1cc(N=C=S)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,KMGKSLIQIOZCMT-UHFFFAOYSA-N
rxn:4:195542:223147,Cc1cc(-c2ccc(C3CNCCO3)cc2)ccc1N=C=S,SCEJVPDQIMPUBN-UHFFFAOYSA-N
rxn:4:195792:223147,Clc1c(-c2ccc(C3CNCCO3)cc2)cncc1C1CC1,FQGGFRIJRRMMFH-UHFFFAOYSA-N
rxn:4:195859:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(C2CC2(F)F)ccn1,RLUKFUZREMPBEY-UHFFFAOYSA-N
rxn:4:196226:223147,Cc1cc(C2CC2)ncc1-c1ccc(C2CNCCO2)cc1,NMGNYFRCEONWLB-UHFFFAOYSA-N
rxn:4:196241:227470,CCCOc1ncc(-c2cnc(C3CCC3)cc2Cl)c(C)n1,LZLGZBABFDGFPX-UHFFFAOYSA-N
rxn:4:196866:228573,Cc1cc(C#N)ccc1-c1ccc(C2CCCOC2)nc1F,ROXDANFRWFUVRJ-UHFFFAOYSA-N
rxn:4:197488:223147,c1cc(C2CNCCO2)ccc1-c1cncc(C23CC(C2)C3)c1,WSDZIWCSLSJRKG-UHFFFAOYSA-N
rxn:4:198182:222803,Fc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)nc1F,QHAYPQODSIESQX-UHFFFAOYSA-N
rxn:4:198252:222925,Cc1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cnc1F,QVDCNNKHDBLURN-UHFFFAOYSA-N
rxn:4:198286:223005,Cc1nc(Cl)c(F)cc1-c1ccc(C2CCNCC2)c(Cl)c1,OGBPLBTVCLBMDB-UHFFFAOYSA-N
rxn:4:198287:225454,Cc1c(-c2ccc(C3=CCN(C)CC3)cc2)cnc(Cl)c1F,ZRPFALHJMKCGMR-UHFFFAOYSA-N
rxn:4:201324:225314,CON(C)C(=O)c1ccc(C#N)c(-c2cnc(-c3ccc(F)cc3)nc2Cl)c1,MJEQJQCEOVDHDG-UHFFFAOYSA-N
rxn:4:202969:226181,NOCc1ccc([N+](=O)[O-])cc1-c1ccc(C2=CCCCC2)nc1,ZEOSFCPLSCMCKB-UHFFFAOYSA-N
rxn:4:205036:223147,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CNCCO2)cc1,FISQEHSEKGRHJZ-UHFFFAOYSA-N
rxn:4:205264:226278,Cc1cc([N+](=O)[O-])cc(-c2ccc(OCC(C)C)nc2C)c1C#N,FNMPAOHXPOWWGM-UHFFFAOYSA-N
rxn:4:206901:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCCN(C)CC4)o3)cc2)CC1,YPCJOQIGQJOKEO-UHFFFAOYSA-N
rxn:4:208192:222803,FC(F)(F)c1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(Cl)n1,YWZFAYPPCOZJSJ-UHFFFAOYSA-N
rxn:4:208261:225540,C#Cc1ncc(-c2ccc(C#N)c(OCC(C)C)c2)c(C)n1,MISAWGGYSHZOHH-UHFFFAOYSA-N
rxn:4:208761:223002,Cc1nn(C2CC2)cc1-c1ccc(C2CCNCC2)cc1F,PROJNUHEOOLEFM-UHFFFAOYSA-N
rxn:4:217340:225654,CC1CCCN(c2ccc(-c3cc([N+](=O)[O-])cc4nc[nH]c34)cn2)C1,AUCLRBVFSVMWON-UHFFFAOYSA-N
rxn:4:217643:225677,CC(C)c1cnn2cc(-c3ccc(C4CCCCC4)nc3F)cnc12,ZYDGVXNMROMLCA-UHFFFAOYSA-N
rxn:4:176433:223311,Fc1c(OCC(F)(F)F)ccc(-c2cccc(C3CNC3)c2)c1Cl,NYMCUNFAWZYRQH-UHFFFAOYSA-N
rxn:4:180949:225456,CN1CCC(c2ccc(-c3cccc(C(F)F)c3Cl)cc2)CC1,YNLGTRXUZAEECE-UHFFFAOYSA-N
rxn:4:181026:223240,Fc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CCNC2)nc1,CTVUIFZYDGJSAF-UHFFFAOYSA-N
rxn:4:181259:223280,FS(F)(F)(F)(F)c1ccc(-c2cnc(C3CCNC3)nc2)cc1,GBOPTGFCOCCVAG-UHFFFAOYSA-N
rxn:4:182447:222849,N#Cc1cc(-c2ccc(Cl)cc2F)ccc1C1CCNCC1,VZXIWNLKBRYTDW-UHFFFAOYSA-N
rxn:4:182523:223002,Cc1cc(Cl)c(-c2ccc(C3CCNCC3)cc2F)cc1F,WTTYHIOIXBIAQT-UHFFFAOYSA-N
rxn:4:183004:223240,FC1(F)CCOc2cc(-c3ccc(C4CCNC4)nc3)ccc21,HBHVTRRNXPEQPI-UHFFFAOYSA-N
rxn:4:186750:226814,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3ccco3)nc2Cl)c1)N1CCC(F)(F)C1,PIRCXSQGWBCKKX-UHFFFAOYSA-N
rxn:4:191260:223147,C#Cc1cc(-c2ccc(C3CNCCO3)cc2)cc(C#C)n1,FQWXFZMUHKTDHX-UHFFFAOYSA-N
rxn:4:191376:226323,C#Cc1cc(-c2ccc(OC3CCCC3)nc2)cc([N+](=O)[O-])c1,KTFXADOMVKNLNJ-UHFFFAOYSA-N
rxn:4:191712:223004,CSc1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1[N+](=O)[O-],JIBIIJRKFGQKSS-UHFFFAOYSA-N
rxn:4:191719:223002,O=[N+]([O-])C=Cc1ccc(-c2ccc(C3CCNCC3)cc2F)cc1,CTSMNHMBJIFRLE-UHFFFAOYSA-N
rxn:4:192847:223312,c1cc(-c2ccc(C3CNC3)cc2)ncc1OC1CCCC1,MFNNGCITZLNENS-UHFFFAOYSA-N
rxn:4:194582:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c1,KGHBBIYVYDPOCD-UHFFFAOYSA-N
rxn:4:195081:223147,O=[N+]([O-])c1cc(-c2ccc(C3CNCCO3)cc2)ccc1F,SSAFWVXNRBABJL-UHFFFAOYSA-N
rxn:4:195091:223147,O=[N+]([O-])c1ccc(F)c(-c2ccc(C3CNCCO3)cc2)c1,PSMWDLGWUXRTIH-UHFFFAOYSA-N
rxn:4:195098:223147,FC(F)c1cc(Cl)ncc1-c1ccc(C2CNCCO2)cc1,PTKKBJXFABRRNA-UHFFFAOYSA-N
rxn:4:195153:225881,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)nc2F)c(F)cc1Cl,DQKADOILGBURMH-UHFFFAOYSA-N
rxn:4:195606:223000,Cc1c(Cl)cc(-c2ccc(C3CCCNC3)c(F)c2)cc1[N+](=O)[O-],IIPYJQMJCVNNST-UHFFFAOYSA-N
rxn:4:196198:225881,O=C1C=CC(=O)N1c1ccc(-c2ccc(C3CCOCC3)nc2F)c(Cl)c1,INPFRRDGFVCYOX-UHFFFAOYSA-N
rxn:4:196227:223147,Cc1c(-c2ccc(C3CNCCO3)cc2)cncc1C1CC1,AYIODJWJRZMDEH-UHFFFAOYSA-N
rxn:4:196285:228136,CC1(c2cncc(-c3ccc(OC4CC4)nc3)c2)CC1(F)F,VGUCSAQJNKKLDL-UHFFFAOYSA-N
rxn:4:196285:228314,CCOc1ncc(-c2cncc(C3(C)CC3(F)F)c2)cc1Cl,CHYWVMGTPYVLPI-UHFFFAOYSA-N
rxn:4:196867:224578,Fc1nc(C2CCOCC2)ccc1-c1cc(-c2cnccn2)cc(C2CC2)c1,AFRJHLOMEFDXDU-UHFFFAOYSA-N
rxn:4:196954:227794,CN1CCC(c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)C1,ZTQGWHKKPMMOON-UHFFFAOYSA-N
rxn:4:198187:225454,CN1CC=C(c2ccc(-c3cnc(F)c(F)c3Cl)cc2)CC1,ZJHPBEQLALZIEY-UHFFFAOYSA-N
rxn:4:202978:228448,O=C([O-])[CH+]C=Cc1ncc(-c2ccc(C(F)F)cc2Cl)cn1,AJSVXLNXEYBJJU-UHFFFAOYSA-N
rxn:4:203190:228248,CC(=O)c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)c1,SUVZCJVJTMICSJ-UHFFFAOYSA-N
rxn:4:204966:222803,N#CCc1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)s1,PZSCEAGHMXZYAH-UHFFFAOYSA-N
rxn:4:205011:225674,N#CCc1cc(-c2cnc(C3CCCCC3)cc2F)c(F)cn1,GLEARHAAKQEKKE-UHFFFAOYSA-N
rxn:4:205660:228219,CC(C)c1cc(F)c(-c2cnc(OC3CCSC3)nc2)cn1,JDKJYZNMRCUGOO-UHFFFAOYSA-N
rxn:4:205990:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ncc(-c2ccc(C(F)(F)F)cc2)cn1,DVXYXOUMMJHPEQ-UHFFFAOYSA-N
rxn:4:206006:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)cc1,JZYLNELHNSFLPK-UHFFFAOYSA-N
rxn:4:206043:228131,C[Si](C)(C)C#Cc1cnc(-c2cc(F)cc(CC#N)c2)cn1,XPDHZUXUVXXAJD-UHFFFAOYSA-N
rxn:4:208271:224778,Cc1cc(C#N)cnc1-c1c(F)cc(OC2CCOCC2)cc1F,KGVUVIGUWUTSGY-UHFFFAOYSA-N
rxn:4:209482:223312,Clc1cc(-c2ccc(C3CNC3)cc2)cnc1N1CCCC1,ICMHSTNTLDBESS-UHFFFAOYSA-N
rxn:4:209615:226155,CC(=O)c1cc(-c2cnc(C3CCCOC3)cn2)cc(C2CC2)c1,VYGVURXRAZHXNC-UHFFFAOYSA-N
rxn:4:209633:227947,Cc1cc(C#N)cc(C)c1-c1cnc(C2CCOCC2)nc1Cl,ADAOCDCYEHMLHJ-UHFFFAOYSA-N
rxn:4:217340:225881,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)nc2F)c2[nH]cnc2c1,HHFUMNBPXVSQDV-UHFFFAOYSA-N
rxn:4:175939:222537,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,JTNPJFJWKSFLOM-UHFFFAOYSA-N
rxn:4:176001:223241,c1ccc(COc2ccc(-c3cncc(C4CCNC4)c3)c(C3OCCO3)c2)cc1,BXYPHVOFCZADPR-UHFFFAOYSA-N
rxn:4:176403:223312,Fc1cc(-c2ccc(C3CNC3)cc2)ccc1OCC(F)(F)F,AUOFMQYRIDWAJF-UHFFFAOYSA-N
rxn:4:176431:223360,CNCc1cccc(-c2cc(F)c(OCC(F)(F)F)cc2F)c1F,SLSVDCWWDDDVLM-UHFFFAOYSA-N
rxn:4:176434:223360,CNCc1cccc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)c1F,QITALAUUAFGEOE-UHFFFAOYSA-N
rxn:4:181001:223130,OC1CN(Cc2ccc(-c3cccc(C(F)(F)F)c3F)cc2)C1,RMGRFNTYAMAHNW-UHFFFAOYSA-N
rxn:4:181218:226278,CC(=O)c1cc(F)cc(-c2ccc(OCC(C)C)nc2C)c1,ZIUXYCCXBFGJCL-UHFFFAOYSA-N
rxn:4:181555:225674,CC(=O)c1cc(C)c(-c2cnc(C3CCCCC3)cc2F)c(F)c1,NFNOOTCZQQAKEW-UHFFFAOYSA-N
rxn:4:181555:225677,CC(=O)c1cc(C)c(-c2ccc(C3CCCCC3)nc2F)c(F)c1,OBDSUTZLYGSCOD-UHFFFAOYSA-N
rxn:4:182030:227793,O=C1CCC(c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3F)cc2)CC1,OOKZXJZZNPCYDM-UHFFFAOYSA-N
rxn:4:182097:222405,Cc1ccc(-c2cc(C)c(-c3cccc(C4NC(=O)NC4=O)c3)cc2C)cc1,NFWMSILHBBOSEX-UHFFFAOYSA-N
rxn:4:182769:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc2c(c1)OCCO2,SYMADUQPFGZEQL-UHFFFAOYSA-N
rxn:4:183160:223312,CC1(C)C=Cc2cc(-c3ccc(C4CNC4)cc3)ccc2O1,PITGPIYQMNGYGP-UHFFFAOYSA-N
rxn:4:191376:223065,C#Cc1cc(-c2ccc(N3CCNCC3)cc2F)cc([N+](=O)[O-])c1,SGRKZRFMTASCDL-UHFFFAOYSA-N
rxn:4:191603:223147,FC(F)(F)c1cc(N=C=S)ccc1-c1ccc(C2CNCCO2)cc1,RXJLYFOBHHKSAV-UHFFFAOYSA-N
rxn:4:192206:223200,N#Cc1cc(C2COC2)ccc1-c1ccc(C2CCNC2)cc1,ZIYVZBSRTNSDHO-UHFFFAOYSA-N
rxn:4:192847:223340,c1cc(-c2ccc3c(c2)NCCO3)ncc1OC1CCCC1,PIRDTSSHGQJYGF-UHFFFAOYSA-N
rxn:4:195062:226479,CCCCOc1nccc(-c2ccc(N=C=S)cc2Cl)c1Cl,LASAPZGBUAEZOB-UHFFFAOYSA-N
rxn:4:195140:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)(F)F)nc1,IHDVVOZBYVHDRT-UHFFFAOYSA-N
rxn:4:195525:223002,CCc1cc(Cl)ncc1-c1ccc(C2CCNCC2)cc1F,ORZAVBFGKUMENW-UHFFFAOYSA-N
rxn:4:195542:226446,Cc1cc(-c2ccc(C3CCOC3)nc2C)ccc1N=C=S,GYVOOXDAHVAFPV-UHFFFAOYSA-N
rxn:4:195600:223142,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CCCNC2)nc1,WETLNVAFJLZWKV-UHFFFAOYSA-N
rxn:4:195807:223002,Fc1cc(C2CCNCC2)ccc1-c1cc(C2CC2)ncc1F,YUBHLTVUFHWXHR-UHFFFAOYSA-N
rxn:4:197135:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C23CC(C2)C3)s1,GHFSRCAZLMOYTM-UHFFFAOYSA-N
rxn:4:198120:222803,FC(F)(F)c1cc(-c2ccc(Cl)nc2)ccc1C1CCNC1,GUJBCQUHPPMBRE-UHFFFAOYSA-N
rxn:4:201287:225955,Cc1nccn1-c1cc(F)c(-c2cnc(OCC(C)(F)F)c(C#N)c2)cn1,FNOXFMIRGNZAKT-UHFFFAOYSA-N
rxn:4:203190:227026,N#Cc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc1C1CC1,IMQQRVIDVZYKCV-UHFFFAOYSA-N
rxn:4:203190:228550,CCCc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccn1,AARWFKIFDKQSKN-UHFFFAOYSA-N
rxn:4:205036:223062,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1cnc(C2CCNCC2)cc1F,SHKHMHGIHKAUKQ-UHFFFAOYSA-N
rxn:4:206048:223312,Cc1nc(OC2CCC2)ncc1-c1ccc(C2CNC2)cc1,HTVDDSUOJQGXOJ-UHFFFAOYSA-N
rxn:4:208261:224251,C#Cc1ncc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)c(C)n1,SRNHUGXWFJPDNM-UHFFFAOYSA-N
rxn:4:208304:225201,Cc1ncc(-c2ccc(OC3CCCC3)c(F)c2F)cc1C#N,VWRAYJXQMUBKBK-UHFFFAOYSA-N
rxn:4:208339:223059,FS(F)(F)(F)(F)c1ncc(-c2ccc(N3CCNCC3)cc2Cl)cn1,YINKKGBKMMINIF-UHFFFAOYSA-N
rxn:4:209963:225875,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)cc2Cl)c2[nH]ccc2c1,GNTHRRHKVSKJGG-UHFFFAOYSA-N
rxn:4:217311:224969,Cc1cc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)ccc1C(=O)OC(C)(C)C,SEUGYTIYHCNDCI-UHFFFAOYSA-N
rxn:4:217311:225653,CC1CCCCN1c1ccc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)cn1,HFGMMYWOPWDDQK-UHFFFAOYSA-N
rxn:4:217558:225674,Cn1cnc2cc([N+](=O)[O-])cc(-c3cnc(C4CCCCC4)cc3F)c21,UDXVUWFEFNPLKH-UHFFFAOYSA-N
rxn:4:176408:223360,CNCc1cccc(-c2ccc(OCC(F)F)c(F)c2F)c1F,GUJZILZGCBMXNC-UHFFFAOYSA-N
rxn:4:178619:223147,C#Cc1cc(C#C)cc(-c2ccc(C3CNCCO3)cc2)c1,USXUXDFHLRJFBO-UHFFFAOYSA-N
rxn:4:178724:223240,FC(F)=COc1cccc(-c2ccc(C3CCNC3)nc2)c1,XVHXVVWNNWWAEO-UHFFFAOYSA-N
rxn:4:180926:225456,CN1CCC(c2ccc(-c3ccc(F)c(CF)c3Cl)cc2)CC1,HERRMKBDICIHJB-UHFFFAOYSA-N
rxn:4:180928:223064,FCc1c(Cl)ccc(-c2ccc(C3CCNCC3)nc2F)c1F,VXUHDZHVPCMECJ-UHFFFAOYSA-N
rxn:4:181077:223002,CSc1ccc(Cl)c(-c2ccc(C3CCNCC3)cc2F)c1,ZHDJSXNNZCVHBO-UHFFFAOYSA-N
rxn:4:181520:226572,CC(=O)c1ccc(-c2cnc(OC3CCCC3)nc2)c(C)c1,AIQHPETXUOKFJU-UHFFFAOYSA-N
rxn:4:181818:226572,CC(=O)c1cc(C)c(-c2cnc(OC3CCCC3)nc2)c(C)c1,MEHOZWURXWFTDX-UHFFFAOYSA-N
rxn:4:183185:223312,c1cc(C2CNC2)ccc1-c1ccc2c(c1)COC21CCC1,FHFMAATYGKXIHP-UHFFFAOYSA-N
rxn:4:183221:223312,CC1(C)CCc2cc(-c3ccc(C4CNC4)cc3)ccc2O1,SOMDPXFIJZANRE-UHFFFAOYSA-N
rxn:4:188747:223200,FC1(F)CC1COc1cccc(-c2ccc(C3CCNC3)cc2)n1,IAJZCDMWNVNXCT-UHFFFAOYSA-N
rxn:4:189219:224013,O=C(ON1C(=O)CCC1=O)c1ccc(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)c1,FEXLRMWEKHBUNA-UHFFFAOYSA-N
rxn:4:191219:225677,COC(=O)c1nc(-c2ccc(C3CCCCC3)nc2F)cs1,AJJXDYAFJNCSPW-UHFFFAOYSA-N
rxn:4:191283:223059,FC(F)(F)Sc1ccc(-c2ccc(N3CCNCC3)cc2Cl)cn1,RWKJXDWLWBGWEV-UHFFFAOYSA-N
rxn:4:192841:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1cc(Cl)c(-c2ccc(C(F)(F)F)cc2)cn1,MCDRERXNKNTOEQ-UHFFFAOYSA-N
rxn:4:194020:225300,Fc1nc(OC2CCOCC2)ccc1-c1ccc(OC(F)F)c2cc[nH]c12,FXSLAWMLMJKMLO-UHFFFAOYSA-N
rxn:4:195139:225456,CN1CCC(c2ccc(-c3cnc(C(F)F)c(Cl)c3)cc2)CC1,GUIQTIFBWWXWEK-UHFFFAOYSA-N
rxn:4:195146:223008,Fc1ccc(C2CCNCC2)cc1-c1ccc(N=C=S)c(F)c1Cl,JBLXDEDWJKPJQV-UHFFFAOYSA-N
rxn:4:195146:227023,CC(c1ccc(-c2ccc(N=C=S)c(F)c2Cl)cc1)N(C)C,DSWPJUSUGJQERW-UHFFFAOYSA-N
rxn:4:195220:223005,Fc1c(C(F)(F)F)ccnc1-c1ccc(C2CCNCC2)c(Cl)c1,UKTQXKJWKBYJIR-UHFFFAOYSA-N
rxn:4:195249:225456,CN1CCC(c2ccc(-c3c(F)c(F)cc([N+](=O)[O-])c3F)cc2)CC1,NDSZEPPSPAEJBY-UHFFFAOYSA-N
rxn:4:195496:223005,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)cn1,GCWFIRAOIPOHEC-UHFFFAOYSA-N
rxn:4:195704:225300,Cc1c(F)c(-c2ccc(OC3CCOCC3)nc2F)cc([N+](=O)[O-])c1F,CWXBUPKFKNZDLH-UHFFFAOYSA-N
rxn:4:195791:223144,OC1CCN(c2ccc(-c3cnc(C4CC4)cc3Cl)cc2)C1,AGPGLMLCFFASBV-UHFFFAOYSA-N
rxn:4:195803:223147,FC1(c2ncc(-c3ccc(C4CNCCO4)cc3)s2)CCC1,KBTBGBNWWHAQQS-UHFFFAOYSA-N
rxn:4:196569:226444,Cc1nc(C2CCCO2)ccc1-c1ccnc(C(C)(C)C)c1F,XPKKYOFDHBBUNR-UHFFFAOYSA-N
rxn:4:196857:228198,Cc1nc(C(C)C)ncc1-c1cncc(C2CCCCO2)c1,VUAMMHVLJUSUPK-UHFFFAOYSA-N
rxn:4:198255:222925,Cc1cc(F)ncc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,VXCRVHBUBOLQEO-UHFFFAOYSA-N
rxn:4:198286:225456,Cc1nc(Cl)c(F)cc1-c1ccc(C2CCN(C)CC2)cc1,HNPNOQMDEZBCNZ-UHFFFAOYSA-N
rxn:4:202857:223200,FC(F)(F)COc1cnc(-c2ccc(C3CCNC3)cc2)nc1,FIJYMKUJTXOTSK-UHFFFAOYSA-N
rxn:4:203190:229026,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(C)cn1,GNQOHPMYKMURDA-UHFFFAOYSA-N
rxn:4:205037:226275,Cc1cc(-c2cc([N+](=O)[O-])cc(F)c2C#N)cnc1OCC(C)C,SQRAVVQZLAOYGY-UHFFFAOYSA-N
rxn:4:205322:223200,N#CC1(c2ccc(-c3ccc(C4CCNC4)cc3)nc2)CC1,IAUNZVXFMXIBBN-UHFFFAOYSA-N
rxn:4:210321:225674,CC(=O)c1c[nH]c2cc(-c3cnc(C4CCCCC4)cc3F)cnc12,OJBIKWNJEPABJJ-UHFFFAOYSA-N
rxn:4:211222:225201,Cc1nc(-c2ccc(OC3CCCC3)c(F)c2F)cnc1Cl,SOINTEAFKXOCIU-UHFFFAOYSA-N
rxn:4:217338:224960,COc1ccc(-c2cc([N+](=O)[O-])cc3[nH]ncc23)cc1OC1CCCC1,HKSKBERINBJBIX-UHFFFAOYSA-N
rxn:4:217559:225674,Cc1[nH]nc2cc(-c3cnc(C4CCCCC4)cc3F)cc([N+](=O)[O-])c12,BHTPPWKECUGYLJ-UHFFFAOYSA-N
rxn:4:223311:192082,Clc1cc(-c2cccc(C3CNC3)c2)cnc1OC1COC1,YCRHIZNKPMMEOJ-UHFFFAOYSA-N
rxn:4:178771:223199,Fc1cc(-c2cccc(C3CCNC3)c2)ccc1C#CC(F)(F)F,FSGKCVYBEOPKRO-UHFFFAOYSA-N
rxn:4:179089:223240,Cc1cc(OC(F)F)c(F)c(-c2ccc(C3CCNC3)nc2)c1,WBNQFFJEGNTNEH-UHFFFAOYSA-N
rxn:4:180080:223360,CNCc1cccc(-c2ccc(OC3CCCC3)cc2)c1F,XEUAIUYEBOHLSO-UHFFFAOYSA-N
rxn:4:180084:226587,CC(=O)c1cc(-c2cnc(OC3CCC3)cc2F)cc(C(C)C)c1,VRMWPRCFIYSAJS-UHFFFAOYSA-N
rxn:4:180197:223311,Cc1cc(O[C@@H]2CCOC2)ccc1-c1cccc(C2CNC2)c1,QOCALVFBTGSEAP-LJQANCHMSA-N
rxn:4:181203:225674,CC(=O)c1ccc(-c2cnc(C3CCCCC3)cc2F)c(Cl)c1,LRPSCGIXWTUTSS-UHFFFAOYSA-N
rxn:4:181577:223147,CC(C)c1ccc(-c2ccc(C3CNCCO3)cc2)c(Cl)c1,PDCAOWKISAXWJL-UHFFFAOYSA-N
rxn:4:182529:223002,Cc1c(-c2ccc(C3CCNCC3)cc2F)ccc(Cl)c1F,DXSCILXVMAEQMG-UHFFFAOYSA-N
rxn:4:189246:227752,CN(C)CCc1ccc(-c2ccc(C(F)(F)F)cc2F)c(F)c1,TVQRPOONTZVODO-UHFFFAOYSA-N
rxn:4:191260:223139,C#Cc1cc(-c2ccc(C3CCNCC3)nc2)cc(C#C)n1,BINUWJWQNWXNST-UHFFFAOYSA-N
rxn:4:191725:225456,Cc1cc(OC(F)F)ncc1-c1ccc(C2CCN(C)CC2)cc1,IBQXZNAYJLQPDA-UHFFFAOYSA-N
rxn:4:192986:224001,Cc1cc(CN(C)C)ccc1-c1cnc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1,DVSJEVQILBKZIB-UHFFFAOYSA-N
rxn:4:194517:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3o2)cc1,UPDQQPCFPOCNMP-UHFFFAOYSA-N
rxn:4:194518:228233,CC(=O)c1cc(C)c(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)c2)cn1,KTQOOIAXUDTRNT-UHFFFAOYSA-N
rxn:4:194969:223139,N#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)nc2)cc1F,XQMXJIKSMYKXHL-UHFFFAOYSA-N
rxn:4:195212:223005,FC(F)(F)c1c(Cl)ccnc1-c1ccc(C2CCNCC2)c(Cl)c1,GRTYMNNAWOCGFA-UHFFFAOYSA-N
rxn:4:195462:223059,Cc1c(C#N)ccc(-c2ccc(N3CCNCC3)cc2Cl)c1Cl,KRVWCXYKRONJOM-UHFFFAOYSA-N
rxn:4:195527:223000,CCc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)cn1,LWIYPGNKNFKZLZ-UHFFFAOYSA-N
rxn:4:195606:225601,Cc1c(Cl)cc(-c2ccc(C3(C#N)CCC3)cc2F)cc1[N+](=O)[O-],ZNJLLNMSXLWDMB-UHFFFAOYSA-N
rxn:4:195632:225300,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC3CCOCC3)nc2F)c1Cl,LLNJQZUDLUPBOZ-UHFFFAOYSA-N
rxn:4:195862:223059,FC1(F)CC1c1cncc(-c2ccc(N3CCNCC3)cc2Cl)c1,JCEJKUIWAHGMIM-UHFFFAOYSA-N
rxn:4:196035:226587,Cc1cc(-c2cnc(OC3CCC3)cc2F)c(C)cc1C#N,GHOVFUVMCGLWPZ-UHFFFAOYSA-N
rxn:4:196226:225677,Cc1cc(C2CC2)ncc1-c1ccc(C2CCCCC2)nc1F,PHGDDMABCDBYMO-UHFFFAOYSA-N
rxn:4:196248:223147,Fc1nc(C2CCC2)ccc1-c1ccc(C2CNCCO2)cc1,CLAGJKLTQWZXGI-UHFFFAOYSA-N
rxn:4:196285:227278,CC1(c2cncc(-c3ccc(C4(C#N)CC4)nc3)c2)CC1(F)F,KYRKRKJRWPXQOV-UHFFFAOYSA-N
rxn:4:196939:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CCCCC2)cn1,YFZOHWDPQUUFGM-UHFFFAOYSA-N
rxn:4:196939:228216,Clc1c(-c2ccc(C3CCCCC3)cn2)cncc1C1CC1,VPMABAGXXKMSLK-UHFFFAOYSA-N
rxn:4:202969:223966,NOCc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1,KVZFLBSGDOFQHS-UHFFFAOYSA-N
rxn:4:205264:226505,Cc1cc([N+](=O)[O-])cc(-c2cnc(OCC(C)C)c(Cl)c2)c1C#N,FITVJGRHYQPOQO-UHFFFAOYSA-N
rxn:4:205264:227227,Cc1cc([N+](=O)[O-])cc(-c2ccc(OCC3CC3)nc2)c1C#N,SUZKWRHKBLRHMU-UHFFFAOYSA-N
rxn:4:207613:225919,COCc1cc(C(F)(F)F)ccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1,CAIRBQNMXNZJFU-UHFFFAOYSA-N
rxn:4:208994:225923,Cc1nc(C2CC2)ncc1-c1cnc(OC2CCCC2)nc1Cl,YFAFTSYCENYIOF-UHFFFAOYSA-N
rxn:4:209163:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cnc(-c2ccc(Cl)cc2)nc1,CDYPDXFECZKKDS-UHFFFAOYSA-N
rxn:4:209756:223306,Cc1nc(C2CCCC2)ncc1-c1ccc2c(c1)CNCC2,WDAPHIHQIHVWLG-UHFFFAOYSA-N
rxn:4:209785:223312,FC1(F)CCN(c2ccc(-c3ccc(C4CNC4)cc3)cn2)CC1,CLRJMHFCKAOMIT-UHFFFAOYSA-N
rxn:4:209963:225567,Cc1cc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)ccc1C(=O)OC(C)C,YPJWPXNNORHGCH-UHFFFAOYSA-N
rxn:4:209963:225879,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)cc2F)c2[nH]ccc2c1,ZDMFACDMVKSZCI-UHFFFAOYSA-N
rxn:4:209963:225884,O=[N+]([O-])c1cc(-c2ccc(C3COCCO3)c(F)c2)c2[nH]ccc2c1,GVIJTMKXOHXNSH-UHFFFAOYSA-N
rxn:4:211563:222803,Fc1cc2cn[nH]c2cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,KHWQUANYVMRAGV-UHFFFAOYSA-N
rxn:4:175961:223386,CCc1cc(-c2cc(/C=N/O)ccc2Cl)ccc1-c1ccc(C(=O)OC)c(F)c1,WETMAAMEHSDGCA-LGJNPRDNSA-N
rxn:4:176997:223312,Clc1cc(-c2ccc(C3CNC3)cc2)ccc1OCC1CC1,BYNNZDDWMYMIEX-UHFFFAOYSA-N
rxn:4:179261:223311,Cc1cc(C(=O)C(F)F)ccc1-c1cccc(C2CNC2)c1,DZCRACPNWFDJMU-UHFFFAOYSA-N
rxn:4:180966:223130,OC1CN(Cc2ccc(-c3ccc(Cl)c(C(F)F)c3F)cc2)C1,GTJBABGFDPLNQT-UHFFFAOYSA-N
rxn:4:181001:223000,Fc1cc(-c2cccc(C(F)(F)F)c2F)ccc1C1CCCNC1,KJPPXROHIFPMOZ-UHFFFAOYSA-N
rxn:4:181259:223169,FS(F)(F)(F)(F)c1ccc(-c2cnc(C3CCNCC3)nc2)cc1,VRTKZDQUKVFVHG-UHFFFAOYSA-N
rxn:4:181631:225674,O=C1CC(c2ccc(-c3cnc(C4CCCCC4)cc3F)cc2F)C1,ZXYMPJKGTDQGON-UHFFFAOYSA-N
rxn:4:181861:223280,CC(C)(C)c1cc(-c2cnc(C3CCNC3)nc2)ccc1F,LMNMQKDMKKYELU-UHFFFAOYSA-N
rxn:4:182015:229075,Cc1cc(-c2ccc(C3CCOCC3)cc2F)sc1C#N,SRQCSZNTNZOGNO-UHFFFAOYSA-N
rxn:4:183147:223240,c1cc(-c2ccc(C3CCNC3)nc2)c2c(c1)C1(CC2)CC1,WUOFERMPVOPHIW-UHFFFAOYSA-N
rxn:4:186720:226816,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3ccoc3)nc2Cl)c1)N1CCCC1,IBCZIBYWOQBKHQ-UHFFFAOYSA-N
rxn:4:188381:226336,CCOC(=O)c1ccc(-c2cc(C#N)c(C3CC3)cc2Cl)nc1Cl,IQBXKXWTZCEUOS-UHFFFAOYSA-N
rxn:4:189246:227723,CN(C)CCc1ccc(-c2ccc(OC(F)F)c(Cl)c2)c(F)c1,WWMMYOSSFQRPLK-UHFFFAOYSA-N
rxn:4:191387:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(C(F)F)cc3C#N)cc2)c1,KAOWBHHMAVWINS-UHFFFAOYSA-N
rxn:4:192580:228714,Cc1cc(C#N)ncc1-c1cnc(OC2CCSC2)c(F)c1,MRFAAPFIGQSSTQ-UHFFFAOYSA-N
rxn:4:192817:222984,OC1CCN(Cc2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)nc3)cc2)C1,HOXNXRBKIGUGMV-UHFFFAOYSA-N
rxn:4:195066:223001,Fc1cc(N=C=S)ccc1-c1cc(C2CCCNC2)ccc1F,KGBSAOPNQGPDQQ-UHFFFAOYSA-N
rxn:4:195091:225454,CN1CC=C(c2ccc(-c3cc([N+](=O)[O-])ccc3F)cc2)CC1,ZVAAFKSDRKQYSX-UHFFFAOYSA-N
rxn:4:195234:223005,Fc1ccnc(-c2ccc(C3CCNCC3)c(Cl)c2)c1C(F)(F)F,QNDNDMITBXDAGH-UHFFFAOYSA-N
rxn:4:195415:225881,Cc1cc(C#N)ccc1-c1ccc(C2CCOCC2)nc1F,KNYCRJJGNHRIQP-UHFFFAOYSA-N
rxn:4:195793:225454,COc1c(Cl)ncc(-c2ccc(C3=CCN(C)CC3)cc2)c1C,IGPHEPFSYKUFKH-UHFFFAOYSA-N
rxn:4:195844:223002,Fc1cc(C2CCNCC2)ccc1-c1nc(C2CC(F)(F)C2)cs1,MDDLOSZVKAVYLS-UHFFFAOYSA-N
rxn:4:198120:222704,FC(F)(F)c1cc(-c2ccc(Cl)nc2)ccc1C1CCNCC1,VQZWYIHOLBDCGE-UHFFFAOYSA-N
rxn:4:198273:225201,Cc1cc(F)c(-c2ccc(OC3CCCC3)c(F)c2F)cn1,IZAGWRLFOKPOMR-UHFFFAOYSA-N
rxn:4:198286:225923,Cc1nc(Cl)c(F)cc1-c1cnc(OC2CCCC2)nc1Cl,OFULOHNISYKGAK-UHFFFAOYSA-N
rxn:4:198328:225454,Cc1c(-c2ccc(C3=CCN(C)CC3)cc2)cnc(Cl)c1C,ADHGTGFAKWMBBQ-UHFFFAOYSA-N
rxn:4:201291:226155,CCCCOc1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,HUQGOXFGPYUSHZ-UHFFFAOYSA-N
rxn:4:202931:226125,CCOC(=O)c1cnc(-c2cc(COC)cc(C3CC3)c2)cn1,BSYVKZPDDMVAOS-UHFFFAOYSA-N
rxn:4:203154:227988,Fc1c(-c2cnc(OCC3CCC3)nc2)cccc1C1CC1,RYPGQFQHBAECAH-UHFFFAOYSA-N
rxn:4:203190:228381,N#Cc1cc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)c1,HGQMBMQBXNUWFR-UHFFFAOYSA-N
rxn:4:208012:222714,C#Cc1cnc(-c2cc(NC(=O)OC(C)(C)C)cc(F)c2F)cn1,IRMINMLJJWEDLG-UHFFFAOYSA-N
rxn:4:208039:223000,N#Cc1cc(-c2ccc(C3CCCNC3)c(F)c2)cnc1Cl,AAGMJSCZTUFCFJ-UHFFFAOYSA-N
rxn:4:208115:223004,Fc1cc(-c2ccc(N=C=S)cn2)ccc1C1CCNCC1,WCGRMVVAJVVHSD-UHFFFAOYSA-N
rxn:4:209963:225868,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(F)c2)c2[nH]ccc2c1,CHFHRFHZGZTGHC-UHFFFAOYSA-N
rxn:4:209963:225883,O=[N+]([O-])c1cc(-c2cnc(C3CCOCC3)c(Cl)c2)c2[nH]ccc2c1,XDZZQOQOJIUKQY-UHFFFAOYSA-N
rxn:4:211169:222803,Fc1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(F)n1,DKHPEXFGNPRZCT-UHFFFAOYSA-N
rxn:4:214894:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,BCOZLCWDKLGKNA-MCZWQBSQSA-N
rxn:4:217329:225053,CC1CCCCN1c1ccc(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c(F)c1,OUDQEQVFITXMAP-UHFFFAOYSA-N
rxn:4:178623:223130,OC1CN(Cc2ccc(-c3ccc(OC(F)F)cc3)cc2)C1,NMOYQKOQUIZWCC-UHFFFAOYSA-N
rxn:4:178683:228097,CN(C)Cc1cncc(-c2cc(F)c(OC(F)F)cc2F)c1,WWZBTVAGKAJLQH-UHFFFAOYSA-N
rxn:4:178749:223200,FC(F)(F)C#Cc1cccc(-c2ccc(C3CCNC3)cc2)c1,DTYSWYSVMRYTGS-UHFFFAOYSA-N
rxn:4:178956:223312,FC(F)(F)c1ccc(-c2ccc(C3CNC3)cc2)c(C(F)(F)F)c1,ODSHLHKKUZFNSO-UHFFFAOYSA-N
rxn:4:179238:226572,COc1cc(OC)c(-c2cnc(OC3CCCC3)nc2)cc1F,HSKPFYJMMRMFGT-UHFFFAOYSA-N
rxn:4:180865:223005,FC(F)(F)c1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)o1,VUASJOPXLAYELB-UHFFFAOYSA-N
rxn:4:181258:223242,FS(F)(F)(F)(F)c1cccc(-c2ccnc(C3CCNC3)c2)c1,MXMDUZSADWNOPQ-UHFFFAOYSA-N
rxn:4:182003:223312,c1cc(-c2ccc(C3CNC3)cc2)cc(C2CCCOC2)c1,YPVSBAVVRZHCPH-UHFFFAOYSA-N
rxn:4:182298:223306,CC12CC(c3ccc(-c4ccc5c(c4)CNCC5)cc3)(C1)C2,SHFFBXJVVHJVKU-UHFFFAOYSA-N
rxn:4:183257:223205,N#Cc1cccc2[nH]c(-c3ccc4c(c3)COC3(CCOCC3)O4)cc12,KDLINBXMFPNXGV-UHFFFAOYSA-N
rxn:4:188744:227861,COc1cc(-c2cnc3c(c2)CCCC3)ccc1C=C[N+](=O)[O-],OIOLQFXFYPSXAL-UHFFFAOYSA-N
rxn:4:192847:228216,Clc1c(-c2ccc(OC3CCCC3)cn2)cncc1C1CC1,BBMHFFBKKPGBGR-UHFFFAOYSA-N
rxn:4:193573:222405,CN(C)c1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2)cc1,HNUNVZBAZBLAEI-UHFFFAOYSA-N
rxn:4:194885:222959,Cc1cc(-c2cnc(C(F)(F)F)s2)ccc1C1CCNCC1,IYRBPNUGULVCCN-UHFFFAOYSA-N
rxn:4:195151:226990,CN(C)CCc1ccc(-c2ccc(N=C=S)c(F)c2F)cc1,YAYQRQONQFFKJJ-UHFFFAOYSA-N
rxn:4:195172:225082,Cc1nc2cc(-c3cc(F)c(Cl)c([N+](=O)[O-])c3)c(F)cc2n1C(C)C,QFFCWZBCMXUNTH-UHFFFAOYSA-N
rxn:4:195212:223004,Fc1cc(-c2nccc(Cl)c2C(F)(F)F)ccc1C1CCNCC1,SHCNUXLTVNARGY-UHFFFAOYSA-N
rxn:4:195604:227497,Cc1nc(OC(C)C)ncc1-c1ccc(N=C=S)c(C)c1F,JUQODYOTGAZUHZ-UHFFFAOYSA-N
rxn:4:195632:225454,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3=CCN(C)CC3)cc2)c1Cl,ADFQDYVIJPISPP-UHFFFAOYSA-N
rxn:4:195704:223062,Cc1c(F)c(-c2cnc(C3CCNCC3)cc2F)cc([N+](=O)[O-])c1F,VVYFJGHRZNKHNH-UHFFFAOYSA-N
rxn:4:195771:225454,COc1cc(C)c(-c2ccc(C3=CCN(C)CC3)cc2)cn1,MGLKXULJBBRCEP-UHFFFAOYSA-N
rxn:4:195791:223004,Fc1cc(-c2cnc(C3CC3)cc2Cl)ccc1C1CCNCC1,UYWPGYOQAPQYTD-UHFFFAOYSA-N
rxn:4:196032:225677,CC(=O)c1cc(-c2ccc(C3CCCCC3)nc2F)cnc1C,LCXKFBPHMKDJAE-UHFFFAOYSA-N
rxn:4:196226:225454,Cc1cc(C2CC2)ncc1-c1ccc(C2=CCN(C)CC2)cc1,LESWOSFMPVQASH-UHFFFAOYSA-N
rxn:4:196327:223161,CNC(=O)c1ccc(-c2ccc(C3CC(F)(F)C3)nc2)c(OC)c1,LGBXEPNLKBVFPU-UHFFFAOYSA-N
rxn:4:196451:222857,COc1cc(-c2ccc(-c3cc(F)cc(F)c3)cn2)cc(C2CCNCC2)c1,HGBVGGBISNADBQ-UHFFFAOYSA-N
rxn:4:196851:228420,CSc1c(F)cc(-c2ccc(C3CCOC3)nc2C)cc1F,QTMJLFZUHZMDLM-UHFFFAOYSA-N
rxn:4:196868:228208,Fc1nc(C2CCCCO2)ccc1-c1cc(C2CC2)cnc1Cl,XASJSELHCOOEKD-UHFFFAOYSA-N
rxn:4:196868:228469,Cc1ncc([N+](=O)[O-])cc1-c1ccc(C2CCCCO2)nc1F,QXCZVXDYQVOPGV-UHFFFAOYSA-N
rxn:4:197564:223312,CON=C1CCc2c1cccc2-c1ccc(C2CNC2)cc1,MFHHMZWOSGJSGN-UHFFFAOYSA-N
rxn:4:198286:225798,Cc1nc(Cl)c(F)cc1-c1ccc(OC2CCOCC2)nc1,HXFJFOMDSQCMPP-UHFFFAOYSA-N
rxn:4:198507:225454,CN1CC=C(c2ccc(-c3cnc4c(c3)CCO4)cc2)CC1,JXIZWPIHWHKCGH-UHFFFAOYSA-N
rxn:4:198904:225454,CN1CC=C(c2ccc(-c3cnc4c(c3)CCCO4)cc2)CC1,YKSYNONKKVYIBO-UHFFFAOYSA-N
rxn:4:203154:228222,CC(C)c1cc(-c2cnc(OCC3CCC3)nc2)cc(F)n1,SHLBTQNSOIVNQU-UHFFFAOYSA-N
rxn:4:203900:224001,COc1ccc(C(=O)N2CCN(C)CC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1,AXLGTUOTPWRIAI-UHFFFAOYSA-N
rxn:4:205618:227793,CC(C)Cc1ncc(-c2cc([N+](=O)[O-])c(Cl)cc2F)c(Cl)n1,STKOHLBSMWKDLR-UHFFFAOYSA-N
rxn:4:208158:223065,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1Cl,CKJCTDWSNVCPEA-UHFFFAOYSA-N
rxn:4:210977:226446,Cc1nc(C2CCOC2)ccc1-c1cc2nc(C)n(C(C)(C)C)c2cc1F,CFUBECRCCMCNNR-UHFFFAOYSA-N
rxn:4:176363:223199,FC(F)COc1ccc(-c2cccc(C3CCNC3)c2)cc1,PYDLIXGRKXJPDH-UHFFFAOYSA-N
rxn:4:177063:223360,CNCc1cccc(-c2cc(F)c(OCC3CC3)c(F)c2)c1F,ODXRBRGGAPWSNV-UHFFFAOYSA-N
rxn:4:177274:223312,CC(C)OCc1ccc(-c2ccc(C3CNC3)cc2)cc1Cl,PLWMKSJLXUOTAT-UHFFFAOYSA-N
rxn:4:180500:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(C2CCCCO2)cc1C1CC1,VIMSIOVPKZZQLQ-UHFFFAOYSA-N
rxn:4:181410:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(C2CC2)ccc1Cl,UADVBSVEWYRFKB-UHFFFAOYSA-N
rxn:4:181541:223240,Clc1cc(-c2ccc(C3CCNC3)nc2)cc(C2COC2)c1,VBCHZWKIWZWDIY-UHFFFAOYSA-N
rxn:4:182071:222405,Cc1cc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2)cc(C)c1F,TYOFQEGEZVZJOA-UHFFFAOYSA-N
rxn:4:182297:223240,CC12CC(c3cccc(-c4ccc(C5CCNC5)nc4)c3)(C1)C2,SLPAXCSPFMXSBP-UHFFFAOYSA-N
rxn:4:182479:223002,Fc1cc(F)c(-c2ccc(C3CCNCC3)cc2F)cc1F,KGCCSABLDALFSM-UHFFFAOYSA-N
rxn:4:183483:224390,CCOC(=O)CC(=O)c1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc([N+](=O)[O-])c1,KFSVVDXXTAWEQS-UHFFFAOYSA-N
rxn:4:188744:228323,CCOc1nccc(-c2ccc(C=C[N+](=O)[O-])c(OC)c2)c1F,CEYBKZNADWJIHL-UHFFFAOYSA-N
rxn:4:188744:228365,COc1cc(-c2cnc(C3CC3)nc2Cl)ccc1C=C[N+](=O)[O-],PIDGLEHFFCSPNZ-UHFFFAOYSA-N
rxn:4:189246:227784,CN(C)CCc1ccc(-c2cc(F)c(F)c([N+](=O)[O-])c2)c(F)c1,ANPZBIAZCATIAD-UHFFFAOYSA-N
rxn:4:191260:223062,C#Cc1cc(-c2cnc(C3CCNCC3)cc2F)cc(C#C)n1,NFWBRJNSJZUZRX-UHFFFAOYSA-N
rxn:4:195152:227023,CC(c1ccc(-c2cc(F)c(N=C=S)cc2F)cc1)N(C)C,ZZTZSCMTDGKGEE-UHFFFAOYSA-N
rxn:4:195156:223002,O=[N+]([O-])c1cc(Cl)c(-c2ccc(C3CCNCC3)cc2F)cc1F,PAHOSLQUEYQMHK-UHFFFAOYSA-N
rxn:4:195165:223200,O=[N+]([O-])c1c(F)ccc(-c2ccc(C3CCNC3)cc2)c1Cl,DTGYROMGISYLTD-UHFFFAOYSA-N
rxn:4:195283:225454,CN1CC=C(c2ccc(-c3cc(C4CC4)ns3)cc2)CC1,BXBUXXRHYWAUAK-UHFFFAOYSA-N
rxn:4:195598:227497,Cc1nc(OC(C)C)ncc1-c1ccc(N=C=S)c(C)c1Cl,BCHFDDUONKYHNC-UHFFFAOYSA-N
rxn:4:195604:223058,Cc1c(N=C=S)ccc(-c2cc(F)nc(C3CCCNC3)c2)c1F,LDAJCCWQITXABE-UHFFFAOYSA-N
rxn:4:196133:222925,FC(F)(F)c1cc(-c2cnc(C3COCCO3)s2)ccc1C1CNC1,BTOIRLPFSUXVCS-UHFFFAOYSA-N
rxn:4:196226:225884,Cc1cc(C2CC2)ncc1-c1ccc(C2COCCO2)c(F)c1,ZAXKBBHXEDTRFC-UHFFFAOYSA-N
rxn:4:196526:228230,Fc1nc(C2CCOC2)ccc1-c1cnc(C2CC2)c(Cl)c1,GFHLLOAXKFTLML-UHFFFAOYSA-N
rxn:4:196852:223311,Cc1nc(C2CCCO2)ccc1-c1cccc(C2CNC2)c1,IBPCSBJKDYHUAH-UHFFFAOYSA-N
rxn:4:197309:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc2c(c1)CCC(C#N)=C2,RDMHDOCQSJSUOS-UHFFFAOYSA-N
rxn:4:198120:222699,FC(F)(F)c1cc(-c2ccc(Cl)nc2)ccc1C1CCCNC1,MDWZBQPIVPYKAE-UHFFFAOYSA-N
rxn:4:203190:226465,Cn1c(=O)n(C)c2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)ccc21,LINSPZJESAHFJR-UHFFFAOYSA-N
rxn:4:208227:223004,COc1nc(Cl)cnc1-c1ccc(C2CCNCC2)c(F)c1,XNAMPVOJAOGRHT-UHFFFAOYSA-N
rxn:4:208261:225300,C#Cc1ncc(-c2ccc(OC3CCOCC3)nc2F)c(C)n1,MLDAUJVLCKKDOA-UHFFFAOYSA-N
rxn:4:208377:223004,Fc1cc(-c2cnn(C3CC3)c2Cl)ccc1C1CCNCC1,YZWNWBBDAQUVAW-UHFFFAOYSA-N
rxn:4:208477:225201,COc1cnc(-c2ccc(OC3CCCC3)c(F)c2F)c(C)n1,FGMVOJMPFYURFF-UHFFFAOYSA-N
rxn:4:209164:223311,FC1(F)CN(c2ncc(-c3cccc(C4CNC4)c3)cc2Cl)C1,QMQKRUUTAPDIKH-UHFFFAOYSA-N
rxn:4:209294:223200,Cc1nc(C(C)C)nc(Cl)c1-c1ccc(C2CCNC2)cc1,YERDQRULRUWHFB-UHFFFAOYSA-N
rxn:4:209474:223200,Cc1nc(N2CCC2)ccc1-c1ccc(C2CCNC2)cc1,BVOJFFXBKMVBDH-UHFFFAOYSA-N
rxn:4:211265:225201,Cc1cc(C)c(-c2ccc(OC3CCCC3)c(F)c2F)nn1,HHDNEOCRBQQINE-UHFFFAOYSA-N
rxn:4:211512:222803,FC(F)(F)c1cc(-c2ccn3c(Cl)cnc3c2)ccc1C1CCNC1,BTJDKYWIOLIYCQ-UHFFFAOYSA-N
rxn:4:212745:223755,CC1CCN(CCCOc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2F)CC1,RQTBQWBNKVPVBO-UHFFFAOYSA-N
rxn:4:176390:223360,CNCc1cccc(-c2cc(F)c(OCC(F)F)cc2F)c1F,NYLHLIJXLFDJMM-UHFFFAOYSA-N
rxn:4:176438:223312,FC(F)(F)C(F)(F)Oc1ccc(-c2ccc(C3CNC3)cc2)c(Cl)c1,XBSNMYDFSJSENL-UHFFFAOYSA-N
rxn:4:178624:223199,FC(F)Oc1ccc(-c2cccc(C3CCNC3)c2)cc1Cl,JBRJARSSBYQHHB-UHFFFAOYSA-N
rxn:4:178806:223147,FC(F)Cc1ccc(-c2ccc(C3CNCCO3)cc2)cc1,ZNOMUQSETFMFDY-UHFFFAOYSA-N
rxn:4:179347:223280,CC(c1ccc(-c2cnc(C3CCNC3)nc2)cc1)C(F)F,CAMKGEFCKQXAHW-UHFFFAOYSA-N
rxn:4:180128:228933,COc1cc(F)c(-c2ccc(OC3CCCC3)c(F)c2F)cn1,ZKIDFFNEPUWKOH-UHFFFAOYSA-N
rxn:4:180927:223142,FCc1c(-c2ccc(C3CCCNC3)nc2)ccc(Cl)c1F,KUIVQXUAIJJZEI-UHFFFAOYSA-N
rxn:4:181008:227505,O=[N+]([O-])/C=C/c1ccc(-c2ccc(C(F)F)c(F)c2F)cc1,QXAIATJITUBXOZ-BQYQJAHWSA-N
rxn:4:181225:226446,CC(=O)c1cc(Cl)c(-c2ccc(C3CCOC3)nc2C)cc1F,MEMOXACMTOPTHQ-UHFFFAOYSA-N
rxn:4:181405:223142,Clc1cc(C2CC2)ccc1-c1ccc(C2CCCNC2)nc1,IWXSHMWNAYSDHW-UHFFFAOYSA-N
rxn:4:182235:223280,c1cc(-c2cnc(C3CCNC3)nc2)cc(C23CC(C2)C3)c1,AVDBKHDEFPQOKC-UHFFFAOYSA-N
rxn:4:182525:222925,Cc1c(F)ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1Cl,DTKLGRBGAGERRX-UHFFFAOYSA-N
rxn:4:188097:223130,N#Cc1cc(OC(F)(F)F)ccc1-c1ccc(CN2CC(O)C2)cc1,ACJXCRICOJJLPI-UHFFFAOYSA-N
rxn:4:189246:227794,CN(C)CCc1ccc(-c2cc([N+](=O)[O-])cc(Cl)c2F)c(F)c1,UDEFHEIAPRCCHW-UHFFFAOYSA-N
rxn:4:191263:223000,Fc1cc(-c2cncc(OC(F)F)c2)ccc1C1CCCNC1,JXQWTHGPGNDGEV-UHFFFAOYSA-N
rxn:4:193349:223312,Fc1cc(-c2ccc(C3CNC3)cc2)cnc1OC1CCCCC1,VHJXFYCYJGLJPO-UHFFFAOYSA-N
rxn:4:194136:225677,COC(=O)c1ccc(-c2ccc(C3CCCCC3)nc2F)c2[nH]ccc12,XCGTZZIJACFJSE-UHFFFAOYSA-N
rxn:4:195177:225454,CN1CC=C(c2ccc(-c3cc([N+](=O)[O-])c(F)cc3F)cc2)CC1,UECLZDPVQIGFES-UHFFFAOYSA-N
rxn:4:195317:223004,COc1ccc(-c2ccc(C3CCNCC3)c(F)c2)c(Cl)n1,RQILLOCOJOKDPO-UHFFFAOYSA-N
rxn:4:195327:223004,CSc1cnc(-c2ccc(C3CCNCC3)c(F)c2)c(Cl)c1,KEVDENCQUKJQDN-UHFFFAOYSA-N
rxn:4:195496:223142,FS(F)(F)(F)(F)c1ccc(-c2ccc(C3CCCNC3)nc2)cn1,UJDKYPXDVYRNSH-UHFFFAOYSA-N
rxn:4:195516:225454,CN1CC=C(c2ccc(-c3ccn(C4CC4)c3)cc2)CC1,YLRWAJUDWQAIMH-UHFFFAOYSA-N
rxn:4:195599:223241,Cc1cc(-c2cncc(C3CCNC3)c2)c(Cl)cc1N=C=S,LQYWTMJRRSZUJK-UHFFFAOYSA-N
rxn:4:195600:227497,Cc1cc(N=C=S)c(F)cc1-c1cnc(OC(C)C)nc1C,DVLYINHVSACLLV-UHFFFAOYSA-N
rxn:4:195642:226432,Cc1cc(F)c(-c2ccc(C3CCCC3)nc2F)cc1[N+](=O)[O-],HZYLKXYEFFRYDC-UHFFFAOYSA-N
rxn:4:195643:226327,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3(C#N)CC3)cc2Cl)c1F,QQHGYKRPGZSMPI-UHFFFAOYSA-N
rxn:4:196032:225674,CC(=O)c1cc(-c2cnc(C3CCCCC3)cc2F)cnc1C,GMDPSYFRCPOYPS-UHFFFAOYSA-N
rxn:4:196240:227381,Clc1cc(-c2cnc(C3CCCC3)nc2)ncc1C1CCC1,MOJRZGLNZBUNPS-UHFFFAOYSA-N
rxn:4:196527:227787,O=[N+]([O-])c1cc(-c2ccc(C3CCCO3)nc2F)cc(Cl)c1F,MHGCALJZQLSFTB-UHFFFAOYSA-N
rxn:4:197711:223306,CC12CC(c3ccc(-c4ccc5c(c4)CNCC5)cn3)(C1)C2,WEVQTRMXHFKPLL-UHFFFAOYSA-N
rxn:4:199187:223200,FC1(F)CCCc2cc(-c3ccc(C4CCNC4)cc3)cnc21,PZDHGHVXWDIYLN-UHFFFAOYSA-N
rxn:4:203190:226134,Cc1c(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C#N)cc1C1CC1,RVIJQFAGOVDDIF-UHFFFAOYSA-N
rxn:4:205037:226505,CC(C)COc1ncc(-c2cc([N+](=O)[O-])cc(F)c2C#N)cc1Cl,RAGRHZIKJFXBQM-UHFFFAOYSA-N
rxn:4:205301:222925,CCN(C)c1ncc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)s1,QKWVKDOBOAPYIG-UHFFFAOYSA-N
rxn:4:208115:223005,S=C=Nc1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)nc1,HZRZWRJIGCJPCZ-UHFFFAOYSA-N
rxn:4:208148:223065,O=[N+]([O-])c1cc(Cl)nc(-c2ccc(N3CCNCC3)cc2F)c1,OMCQUDZUCBWYEX-UHFFFAOYSA-N
rxn:4:211207:222803,Cc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)nn1,ZBQFEFYSBNUPCQ-UHFFFAOYSA-N
rxn:4:211442:222803,FC(F)(F)c1cc(-c2cnc3ccc(Cl)cn23)ccc1C1CCNC1,PUHWYBCUGRIQOQ-UHFFFAOYSA-N
rxn:4:176348:223312,O=C(Oc1ccc(-c2ccc(C3CNC3)cc2)cc1)C(F)(F)F,FFCDUWDYCRMAOQ-UHFFFAOYSA-N
rxn:4:176356:223200,FC(F)OCc1ccc(-c2ccc(C3CCNC3)cc2)cc1,YEFFBLABPXODIB-UHFFFAOYSA-N
rxn:4:176508:223199,C#Cc1cc(C(=O)OC)c(F)c(F)c1-c1cccc(C2CCNC2)c1,XWKVQLPZDABZSV-UHFFFAOYSA-N
rxn:4:176908:223312,CC(F)(F)COc1ccc(-c2ccc(C3CNC3)cc2)c(F)c1,MMLIWVJOEDYLEN-UHFFFAOYSA-N
rxn:4:178634:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(OC(F)(F)F)cc1,LYUNZKYTBLYOHT-UHFFFAOYSA-N
rxn:4:178749:223199,FC(F)(F)C#Cc1cccc(-c2cccc(C3CCNC3)c2)c1,IWTLUPZCVDXZID-UHFFFAOYSA-N
rxn:4:179946:223200,CCOc1cc(C)c(-c2ccc(C3CCNC3)cc2)cc1C,HHJFGBHTAAVVLS-UHFFFAOYSA-N
rxn:4:180994:223200,Fc1c(-c2ccc(C3CCNC3)cc2)ccc(C(F)F)c1Cl,RPWHEQPYBAGIDN-UHFFFAOYSA-N
rxn:4:181008:223130,OC1CN(Cc2ccc(-c3ccc(C(F)F)c(F)c3F)cc2)C1,OZJZNMHDFNBUHB-UHFFFAOYSA-N
rxn:4:181266:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)cc(S(F)(F)(F)(F)F)c1,INMMRFIIRAHZJS-UHFFFAOYSA-N
rxn:4:181338:223200,Cc1c(-c2ccc(C3CCNC3)cc2)cccc1C(F)(F)F,CSFSPHPVKRFHBY-UHFFFAOYSA-N
rxn:4:181991:223002,Cc1ccc(-c2ccc(-c3ccc(C4CCNCC4)cc3F)c(Cl)c2F)cc1,KYCPOIMBPFZUHJ-UHFFFAOYSA-N
rxn:4:181998:222807,Cc1c(-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)ccc(-c2ccc(F)cc2)c1F,RDZLZSHHNHPZID-UHFFFAOYSA-N
rxn:4:183319:223185,c1cc2c(cc1-c1cnc(C3CNCCO3)nc1)C1CCC2C1,KNGOHIQXLMWBKA-UHFFFAOYSA-N
rxn:4:186141:223312,CCCCC#Cc1ccc(-c2ccc(C3CNC3)cc2)cn1,XWJDVGVLPRJWOG-UHFFFAOYSA-N
rxn:4:188744:228233,COc1cc(-c2cnc(C(C)=O)cc2C)ccc1C=C[N+](=O)[O-],PTXBLOVZLATPCD-UHFFFAOYSA-N
rxn:4:189924:224014,COc1ccc(C(=O)N2CCOCC2)cc1-c1cnc(-c2cccc(C(F)(F)F)c2)nc1Cl,USWOTMLLVUZFJT-UHFFFAOYSA-N
rxn:4:191277:223000,Fc1cc(-c2cnc(OC(F)F)c(Cl)c2)ccc1C1CCCNC1,ZEZXRSPIWJQYOU-UHFFFAOYSA-N
rxn:4:191328:225677,CCC(=O)c1cnc(-c2ccc(C3CCCCC3)nc2F)s1,FNVBGJIVCMZYFK-UHFFFAOYSA-N
rxn:4:191602:223200,FC(F)(F)c1cc(-c2ccc(C3CCNC3)cc2)ccc1N=C=S,XGBNBQZZXUALIO-UHFFFAOYSA-N
rxn:4:191610:223200,O=[N+]([O-])c1cc(-c2ccc(C3CCNC3)cc2)ccc1C(F)(F)F,QCXNUVVGTRQKDQ-UHFFFAOYSA-N
rxn:4:194517:223139,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CCNCC5)nc4)cc3)nc2c1,OOWJQVVLNCVYBO-UHFFFAOYSA-N
rxn:4:195177:222925,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(F)cc1F,DFJHHKQFJGEDMU-UHFFFAOYSA-N
rxn:4:195496:223166,FS(F)(F)(F)(F)c1ccc(-c2ccc(N3CCNCC3)nc2)cn1,NEDIHJDTGROIML-UHFFFAOYSA-N
rxn:4:195599:227497,Cc1cc(-c2cnc(OC(C)C)nc2C)c(Cl)cc1N=C=S,VUZQMJFXYRGRTL-UHFFFAOYSA-N
rxn:4:195600:227470,CCCOc1ncc(-c2cc(F)c(N=C=S)cc2C)c(C)n1,OZLDGZFIYNSPNQ-UHFFFAOYSA-N
rxn:4:196032:225183,CC(=O)c1cc(-c2ccc(OC3CCCCC3)nc2F)cnc1C,FNQNBGMNSMYXBQ-UHFFFAOYSA-N
rxn:4:196226:225661,Cc1cc(N2CCOCC2)ccc1-c1cnc(C2CC2)cc1C,MYVPJVZTWCKQIU-UHFFFAOYSA-N
rxn:4:196226:225875,Cc1cc(C2CC2)ncc1-c1ccc(N2CCOCC2)cc1Cl,ODQAVEJIHYREEK-UHFFFAOYSA-N
rxn:4:198147:222849,N#Cc1cc(-c2cnc(Cl)c(F)c2)ccc1C1CCNCC1,HBNXXEVRGKLRAI-UHFFFAOYSA-N
rxn:4:202931:226331,CCOC(=O)c1cnc(-c2ccc(C3(C#N)CC3)cc2F)cn1,JVIHEICAQLQJIG-UHFFFAOYSA-N
rxn:4:205045:226190,N#Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCC3)cc2F)c1F,IQCLYSVCYPQOHK-UHFFFAOYSA-N
rxn:4:205264:227295,Cc1cc([N+](=O)[O-])cc(-c2ccnc(OC3CCC3)c2)c1C#N,RUOJUQWQPZTESS-UHFFFAOYSA-N
rxn:4:208261:223060,C#Cc1ncc(-c2cc(Cl)nc(C3CCNCC3)c2)c(C)n1,ATTHCNULLURWQJ-UHFFFAOYSA-N
rxn:4:208714:222925,FC(F)(F)c1cc(-c2nnc(C3CCOC3)s2)ccc1C1CNC1,FRNDVFALFYAQSU-UHFFFAOYSA-N
rxn:4:209633:226336,N#Cc1cc(-c2cnc(C3CCOCC3)nc2Cl)c(Cl)cc1C1CC1,HLBDVTXBYFYDHS-UHFFFAOYSA-N
rxn:4:210660:223307,CC12CC(c3ncc(-c4ccc5c(c4)CCNC5)cn3)(C1)C2,BRIXNOUEVFLLOJ-UHFFFAOYSA-N
rxn:4:217278:225320,N#Cc1c[nH]c2c(-c3ccc(N4CCOCC4)c(F)c3F)cncc12,IPNGNQVKGDJOLQ-UHFFFAOYSA-N
rxn:4:217311:225576,N#Cc1cc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)ccc1N1CCCC1,WXLSUSQXMOMAAK-UHFFFAOYSA-N
rxn:4:217545:225320,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCOCC3)c(F)c2F)c2[nH]ncc12,ARYSVPNSEWBCMY-UHFFFAOYSA-N
rxn:4:222887:192843,O=C(c1cccc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)c1)N1CCNCC1,IXWJJMKNKCLFDO-UHFFFAOYSA-N
rxn:4:174681:223311,O=C(OCC(F)(F)F)c1ccc(-c2cccc(C3CNC3)c2)cc1,HMJXVIJJABVKKA-UHFFFAOYSA-N
rxn:4:178746:223199,FC(F)=C(F)Oc1ccc(-c2cccc(C3CCNC3)c2)cc1,CFVGDNPKGFLRRM-UHFFFAOYSA-N
rxn:4:178748:223146,FC(F)(F)C#Cc1ccc(-c2cccc(C3CNCCO3)c2)cc1,YZAWDQGHMLQUFD-UHFFFAOYSA-N
rxn:4:179154:223000,COc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(SC)c1,WRCDROHDZLMIIS-UHFFFAOYSA-N
rxn:4:180365:225900,COc1ccc(-c2ccc(-c3cc([N+](=O)[O-])ccc3CN(C)C)cc2C)cc1,HTHUHDZTRBHQDW-UHFFFAOYSA-N
rxn:4:180883:223000,C#Cc1cccc(-c2ccc(C3CCCNC3)c(F)c2)c1Cl,NOZZSPZBMQJINB-UHFFFAOYSA-N
rxn:4:180984:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(C(F)(F)F)cc1Cl,USJCUWRERUOAOR-UHFFFAOYSA-N
rxn:4:181248:226446,CC(=O)c1ccc(F)c(-c2ccc(C3CCOC3)nc2C)c1Cl,BTHPUFXUQRFKHS-UHFFFAOYSA-N
rxn:4:181782:222807,O=C(NC1CC1)c1cc(-c2ccc(-c3ccc(F)cc3F)cc2)cc([N+](=O)[O-])c1,GCQBWKHZCXRURV-UHFFFAOYSA-N
rxn:4:181989:225900,Cc1ccccc1-c1cc(F)c(-c2cc([N+](=O)[O-])ccc2CN(C)C)cc1F,GZXOYPMZTSSWLH-UHFFFAOYSA-N
rxn:4:182079:222405,Cc1ccc(-c2cc(F)c(-c3cccc(C4NC(=O)NC4=O)c3)cc2C)cc1,ZEESNNCCKIUNTM-UHFFFAOYSA-N
rxn:4:185720:223200,O=[N+]([O-])c1ccc(OCC(F)F)c(-c2ccc(C3CCNC3)cc2)c1,ACEBJRBTBIIRBF-UHFFFAOYSA-N
rxn:4:188101:223200,N#Cc1ccc(OC(F)F)c(F)c1-c1ccc(C2CCNC2)cc1,PRDYVVSHLZAPIH-UHFFFAOYSA-N
rxn:4:191228:223000,COC(=O)c1cc(-c2ccc(C3CCCNC3)c(F)c2)ns1,KVZDPVRNIAQQRI-UHFFFAOYSA-N
rxn:4:191302:222998,Fc1cc(-c2ncc(OC(F)F)cc2F)cc(C2CCCNC2)c1,VJNCGMILYTZVTR-UHFFFAOYSA-N
rxn:4:191834:223200,COc1c(-c2ccc(C3CCNC3)cc2)cc([N+](=O)[O-])c(F)c1F,AABYZVMNLKUAOF-UHFFFAOYSA-N
rxn:4:192580:228817,Cc1ccc(-c2cnc(OC3CCSC3)c(F)c2)c(=O)n1C,HSWIXISECXQLPF-UHFFFAOYSA-N
rxn:4:194581:223312,FS(F)(F)(F)(F)c1ccc2cc(-c3cccc(-c4ccc(C5CNC5)cc4)c3)[nH]c2c1,DXJWUWJQTXPYAW-UHFFFAOYSA-N
rxn:4:194993:225677,N#Cc1ccc(-c2ccc(C3CCCCC3)nc2F)c(F)c1Cl,SPZFVTUZPJKHNW-UHFFFAOYSA-N
rxn:4:195097:223005,FC(F)c1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)n1,QUHJXOYPPOGGMQ-UHFFFAOYSA-N
rxn:4:195146:225456,CN1CCC(c2ccc(-c3ccc(N=C=S)c(F)c3Cl)cc2)CC1,LSBRKXQDWLSALC-UHFFFAOYSA-N
rxn:4:195177:225683,Cc1nc(C2CCCOC2)ccc1-c1cc([N+](=O)[O-])c(F)cc1F,MHZLMVBGYVEODD-UHFFFAOYSA-N
rxn:4:195312:225456,COc1cncc(-c2ccc(C3CCN(C)CC3)cc2)c1Cl,LJSFMTBOLDTJIQ-UHFFFAOYSA-N
rxn:4:195600:223083,Cc1cc(N=C=S)c(F)cc1-c1cnc(N2CCC(O)C2)nc1C,RRUHKIXTCDGFQK-UHFFFAOYSA-N
rxn:4:195635:225454,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(Cl)cc1[N+](=O)[O-],XWURSCADBDRUHV-UHFFFAOYSA-N
rxn:4:195704:223002,Cc1c(F)c(-c2ccc(C3CCNCC3)cc2F)cc([N+](=O)[O-])c1F,QDVKGOHPZMGLTH-UHFFFAOYSA-N
rxn:4:195798:223000,Fc1cc(-c2cnc(Cl)c(C3CC3)c2)ccc1C1CCCNC1,CFICFNXFSBLBLL-UHFFFAOYSA-N
rxn:4:196032:226185,CC(=O)c1cc(-c2ccc(C3CCOCC3)cc2)cnc1C,MVPOGCVSRQJMGF-UHFFFAOYSA-N
rxn:4:196673:228230,Fc1nc(C2CCCC2)ccc1-c1cnc(C2CC2)c(Cl)c1,QORSZRNRGYZMIR-UHFFFAOYSA-N
rxn:4:197711:223307,CC12CC(c3ccc(-c4ccc5c(c4)CCNC5)cn3)(C1)C2,YFVWWYWOEYTBRV-UHFFFAOYSA-N
rxn:4:198142:222699,Fc1nc(Cl)ccc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,IGXMXKSFJKOCAK-UHFFFAOYSA-N
rxn:4:199448:224390,CCOC(=O)Cc1cc([N+](=O)[O-])cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1C#N,AZAUGMVQNUEQBR-UHFFFAOYSA-N
rxn:4:203154:223252,Fc1cc(-c2cnc(OCC3CCC3)nc2)cc2c1OCCN2,FMXIUVFCIMZIHY-UHFFFAOYSA-N
rxn:4:205689:228214,Fc1cc(C2CC2)ncc1-c1cnc(OC2CCOC2)nc1Cl,WHVHGPOSJGRPCX-UHFFFAOYSA-N
rxn:4:208115:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(N=C=S)cn1,XNGBMGCXHGHIDU-UHFFFAOYSA-N
rxn:4:208302:222925,Cc1nc(C#N)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,SOUKXLLDQLODQI-UHFFFAOYSA-N
rxn:4:217340:224966,O=[N+]([O-])c1cc(-c2ccc(OCC3CCOCC3)cc2)c2[nH]cnc2c1,AYRVUMWOIICBIY-UHFFFAOYSA-N
rxn:4:217340:225883,O=[N+]([O-])c1cc(-c2cnc(C3CCOCC3)c(Cl)c2)c2[nH]cnc2c1,YRIBJHPNTLCARI-UHFFFAOYSA-N
rxn:4:173871:223367,COc1cc(OCC(F)(F)C(F)F)ccc1-c1cnc2[nH]ccc2c1F,FBAFQVBVYCBJIM-UHFFFAOYSA-N
rxn:4:176751:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)ccc1OCCF,GIQHUFADUHHMOX-UHFFFAOYSA-N
rxn:4:178641:223197,Fc1cc(-c2ccc(CNC3CC3)cc2)ccc1OC(F)F,QSHJHKPVOORVAG-UHFFFAOYSA-N
rxn:4:178753:223360,CNCc1cccc(-c2ccc(C(=O)C(F)(F)F)cc2Cl)c1F,VGUYLXDYUUSHOX-UHFFFAOYSA-N
rxn:4:179637:223200,FC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cc1C1CC1,PKHQHXZWIFITRV-UHFFFAOYSA-N
rxn:4:180863:223005,FC(F)c1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)o1,OIIFOKLXDIMSLN-UHFFFAOYSA-N
rxn:4:180875:223004,C#Cc1ccc(-c2ccc(C3CCNCC3)c(F)c2)c(Cl)c1,HCXLRUHRKWJKBF-UHFFFAOYSA-N
rxn:4:181231:226446,CC(=O)c1cc(Cl)cc(-c2ccc(C3CCOC3)nc2C)c1F,FLJQXQMBZANLDD-UHFFFAOYSA-N
rxn:4:181259:223184,FS(F)(F)(F)(F)c1ccc(-c2cnc(N3CCNCC3)nc2)cc1,CNLMKXOQMHBFPY-UHFFFAOYSA-N
rxn:4:181405:223139,Clc1cc(C2CC2)ccc1-c1ccc(C2CCNCC2)nc1,JLUXLLARWNCFJZ-UHFFFAOYSA-N
rxn:4:181443:222959,Cc1cc(-c2ccc(C3CC3)cc2F)ccc1C1CCNCC1,BNWWCJADVQCJGS-UHFFFAOYSA-N
rxn:4:181853:223200,CC(C)(C)c1ccc(-c2ccc(C3CCNC3)cc2)c(Cl)c1,GXCHAHKZVOXJQX-UHFFFAOYSA-N
rxn:4:181996:222985,Cc1cc(-c2ccc(C3CCCNC3)nc2C)c(F)cc1-c1ccc(F)cc1,QKKFNIYCRRRENQ-UHFFFAOYSA-N
rxn:4:182448:222849,N#Cc1cc(-c2ccc(F)cc2Cl)ccc1C1CCNCC1,GYQJAIGSXVXTIZ-UHFFFAOYSA-N
rxn:4:185707:223312,CCOC(=O)c1noc(-c2ccc(C3CNC3)cc2)c1OC,OZOSDRKFELEANA-UHFFFAOYSA-N
rxn:4:185754:228338,FC(F)(F)C(Oc1cncc(-c2cnc(OC3CCC3)s2)c1)C(F)(F)F,RTPHCDJVZORJIM-UHFFFAOYSA-N
rxn:4:194136:225674,COC(=O)c1ccc(-c2cnc(C3CCCCC3)cc2F)c2[nH]ccc12,YYXWALKQOJDEPC-UHFFFAOYSA-N
rxn:4:195013:225677,N#Cc1c(F)c(F)c(-c2ccc(C3CCCCC3)nc2F)c(F)c1F,KKXMOZUEBHBIJI-UHFFFAOYSA-N
rxn:4:195522:225454,CCc1cc(Cl)c(-c2ccc(C3=CCN(C)CC3)cc2)cn1,FEZKJNGLBBYRQW-UHFFFAOYSA-N
rxn:4:195542:223128,Cc1cc(-c2ccc(CNC3CC3)c(F)c2)ccc1N=C=S,OHDDKGKKYCSLJX-UHFFFAOYSA-N
rxn:4:195607:223127,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc(CNC2CC2)cc1F,QKIUSLCQZRLIIG-UHFFFAOYSA-N
rxn:4:195631:223002,Cc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C2CCNCC2)cc1F,AIPVOBUUZYTUNR-UHFFFAOYSA-N
rxn:4:195814:223000,Fc1cc(-c2nccc(F)c2C2CC2)ccc1C1CCCNC1,HQUHJIYEQJNNCF-UHFFFAOYSA-N
rxn:4:196227:226675,Cc1c(-c2cnc(C3CCCC3)nc2Cl)cncc1C1CC1,IZGIPLDSZAHMAD-UHFFFAOYSA-N
rxn:4:196853:226155,CC(=O)c1cc(-c2ccc(C3CCCOC3)nc2)cc(C2CC2)c1,MFQGSULAFXBKFZ-UHFFFAOYSA-N
rxn:4:197705:223306,c1cc2c(cc1-c1ccc3c(c1)CCN3C1CC1)CNCC2,ICSIGVPIMCOUIO-UHFFFAOYSA-N
rxn:4:202284:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)CC1,SRKKMXSIQYZHJI-MCZWQBSQSA-N
rxn:4:203190:228216,FC1(F)CC(COc2ncc(-c3cncc(C4CC4)c3Cl)cn2)C1,LEIZNECWUWGBBV-UHFFFAOYSA-N
rxn:4:205024:225881,N#Cc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCOCC2)nc1F,NTIBGZLJBGCZBP-UHFFFAOYSA-N
rxn:4:205264:227296,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC3CCC3)nc2)c1C#N,JMEQNRKWIDHHOM-UHFFFAOYSA-N
rxn:4:205689:227997,Fc1ccc(C2CC2)cc1-c1cnc(OC2CCOC2)nc1Cl,QGTPZFPWTAJQCF-UHFFFAOYSA-N
rxn:4:207037:224562,COc1cc(Oc2ccccc2)ccc1-c1cccc(CN2CCCN(C)CC2)c1,CMKDVISCYGLDDW-UHFFFAOYSA-N
rxn:4:208085:224702,Cc1c(-c2cnc(F)cc2C#N)cc(F)c(OC2CCCC2)c1F,XVHOZNBRSAIWQC-UHFFFAOYSA-N
rxn:4:209963:225129,CC(C)(C)OC(=O)c1ccc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)c(F)c1,IRHGZSFBUWYKFV-UHFFFAOYSA-N
rxn:4:217242:225183,N#Cc1cc(-c2ccc(OC3CCCCC3)nc2F)nc2[nH]ccc12,LWKVNDNRLDKVMH-UHFFFAOYSA-N
rxn:4:217340:225801,O=[N+]([O-])c1cc(-c2ccnc(OC3CCCC3)c2Cl)c2[nH]cnc2c1,DAPRGBSPBAFMQL-UHFFFAOYSA-N
rxn:4:225456:208045,CN1CCC(c2ccc(-c3ncc(Cl)cc3C#N)cc2)CC1,UNSFDIITGPSRRP-UHFFFAOYSA-N
rxn:4:176967:223200,c1cc(SCC2CC2)cc(-c2ccc(C3CCNC3)cc2)c1,BHDBIXLFUUAQDC-UHFFFAOYSA-N
rxn:4:179390:223240,Cc1ccc(-c2ccc(C3CCNC3)nc2)cc1CC(F)(F)F,MERCVUUKBVLSLM-UHFFFAOYSA-N
rxn:4:180887:222998,C#Cc1ccc(-c2cc(F)cc(C3CCCNC3)c2)c(F)c1,DDOGSGVHGGONJY-UHFFFAOYSA-N
rxn:4:180959:223062,Fc1cc(C(F)F)ccc1-c1cnc(C2CCNCC2)cc1F,STGHMZVNNGHOBI-UHFFFAOYSA-N
rxn:4:181114:223147,CSc1c(Cl)ccc(-c2ccc(C3CNCCO3)cc2)c1F,YEEHMGHERLHPJU-UHFFFAOYSA-N
rxn:4:181701:223240,c1cc(C2CCNC2)ncc1-c1ccc(C2CCCC2)o1,GRZORFUCRONTSQ-UHFFFAOYSA-N
rxn:4:188174:225454,CN1CC=C(c2ccc(-c3cc([N+](=O)[O-])c(OC(F)F)cc3F)cc2)CC1,NMMFHSKRCUJPAR-UHFFFAOYSA-N
rxn:4:188746:228216,FC1(F)CC1COc1ccc(-c2cncc(C3CC3)c2Cl)nc1,HXFUJSOQSGYCGI-UHFFFAOYSA-N
rxn:4:191269:222998,Fc1cc(-c2ccc(OC(F)F)nc2)cc(C2CCCNC2)c1,YSRYOXCOOHKTAV-UHFFFAOYSA-N
rxn:4:191376:226432,C#Cc1cc(-c2ccc(C3CCCC3)nc2F)cc([N+](=O)[O-])c1,VLTQHOAGLYUOBC-UHFFFAOYSA-N
rxn:4:191624:223312,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)cc2)cc(C(F)(F)F)c1F,QJHDZYLXYSYVKI-UHFFFAOYSA-N
rxn:4:192580:228711,Cc1cnc(C#N)c(-c2cnc(OC3CCSC3)c(F)c2)c1,OXENNKSNYXJRQX-UHFFFAOYSA-N
rxn:4:192694:223200,Cc1cc(OC(C)C)ncc1-c1ccc(C2CCNC2)cc1,KTTPWGVTUOHATC-UHFFFAOYSA-N
rxn:4:194194:225677,COC(=O)c1ccc2ccc(-c3ccc(C4CCCCC4)nc3F)cc2n1,DHTYUOAXABWHQT-UHFFFAOYSA-N
rxn:4:194517:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)c2)N1,PMRAYBNBIWYJOT-UHFFFAOYSA-N
rxn:4:194582:223199,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C5CCNC5)c4)cc3)cc2c1,HGSCSYMEUYYNTB-UHFFFAOYSA-N
rxn:4:195148:222999,Fc1cc(-c2cc(Cl)cc(C3CCCNC3)c2)cc(F)c1N=C=S,LAIBVSGIFOXUMF-UHFFFAOYSA-N
rxn:4:195612:223147,Cc1cc(-c2ccc(C3CNCCO3)cc2)cc([N+](=O)[O-])c1Cl,NESRASDMOSAUJS-UHFFFAOYSA-N
rxn:4:195820:226587,Fc1cc(OC2CCC2)ncc1-c1cnc(Cl)c(C2CC2)c1F,ZCDCJUOZCAKVBF-UHFFFAOYSA-N
rxn:4:196032:225575,COC(=O)c1ccc(-c2cnc(C)c(C(C)=O)c2)cc1C1CC1,QJDBIYGQVATBGH-UHFFFAOYSA-N
rxn:4:196032:226142,CC(=O)c1cc(-c2cccc(OC3CCCC3)c2)cnc1C,MIOMSBHNGKBNEZ-UHFFFAOYSA-N
rxn:4:196039:225677,CC(=O)c1cc(-c2ccc(C3CCCCC3)nc2F)c(Cl)nc1C,HBAFSKMSOXLVNF-UHFFFAOYSA-N
rxn:4:196284:227628,CC1(c2cc(-c3cnc(C4CCC4)nc3Cl)ccn2)CC1(F)F,BYWGTZVUWNAZGD-UHFFFAOYSA-N
rxn:4:196884:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2c(F)cc(N3CCOCC3)cc2F)c1,VVFRYXMIJILGFA-UHFFFAOYSA-N
rxn:4:196955:223307,c1cc(C2CCCCC2)ncc1-c1ccc2c(c1)CCNC2,IKOWIBJZDQZTMG-UHFFFAOYSA-N
rxn:4:197711:223161,CNC(=O)c1ccc(-c2ccc(C34CC(C)(C3)C4)nc2)c(OC)c1,YGUDJDALZUNSAK-UHFFFAOYSA-N
rxn:4:201939:224331,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)ccc1OCC(=O)N1CCN(C)CC1,SQHHTGPGWIRWQH-UHFFFAOYSA-N
rxn:4:203248:226134,Cc1c(-c2cnc(Oc3cccc(C(F)(F)F)c3)nc2)cc(C#N)cc1C1CC1,PUAAALXRAIOENU-UHFFFAOYSA-N
rxn:4:203292:228224,Cc1cc(C#N)cc(-c2cnc(OCC3CCOC3)cn2)c1Cl,QHYBNIOUYAYFMM-UHFFFAOYSA-N
rxn:4:203859:224463,CC(=O)c1ccc(-c2ccc(-c3ccc(CN4CCC(N(C)C)C4)cc3)cc2)cc1,WJYCOTSLKOUAEQ-UHFFFAOYSA-N
rxn:4:205007:224022,COC(=O)c1cnc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)[nH]1,SCGLOLKREOXDLS-UHFFFAOYSA-N
rxn:4:208468:223200,Cc1nc(C(F)(F)F)ncc1-c1ccc(C2CCNC2)cc1,YARJKCCOIMPHGM-UHFFFAOYSA-N
rxn:4:209620:228224,Cc1cc(C#N)cc(-c2cnc(C3CCCCO3)cn2)c1Cl,PPVGZTCHNDMEDU-UHFFFAOYSA-N
rxn:4:210647:223274,CNC(=O)c1ccc(-c2cnc(C34CC(C)(C3)C4)cn2)c(Cl)c1,YUMGYQHIJHEPGS-UHFFFAOYSA-N
rxn:4:211463:222803,FC(F)(F)c1cc(-c2cnc(Cl)c3cc[nH]c23)ccc1C1CCNC1,IMJMSERYUBWHLB-UHFFFAOYSA-N
rxn:4:217335:225813,Cc1c(-c2cc3[nH]ncc3cc2[N+](=O)[O-])cc(F)c(OC(C)C)c1F,XMPQWXWZZWOSEN-UHFFFAOYSA-N
rxn:4:217545:226181,Cc1c([N+](=O)[O-])cc(-c2ccc(C3=CCCCC3)nc2)c2[nH]ncc12,STPVSSTZMSOZAY-UHFFFAOYSA-N
rxn:4:176821:223200,Cc1ccc(OCC(F)F)cc1-c1ccc(C2CCNC2)cc1,XUJRUDQUWAWKAD-UHFFFAOYSA-N
rxn:4:177804:223312,Cc1cc(OCC(C)C)ccc1-c1ccc(C2CNC2)cc1,VSHHVEKWGGKBGW-UHFFFAOYSA-N
rxn:4:178344:223311,CCCC1CCC(c2ccc(-c3cccc(C4CNC4)c3)cc2)OC1,UUBPFGALSRFXRA-UHFFFAOYSA-N
rxn:4:178631:223130,OC1CN(Cc2ccc(-c3ccc(OC(F)F)cc3Cl)cc2)C1,DIBBODYTTFXDQJ-UHFFFAOYSA-N
rxn:4:178749:223312,FC(F)(F)C#Cc1cccc(-c2ccc(C3CNC3)cc2)c1,LRAMVGUQTSOVNK-UHFFFAOYSA-N
rxn:4:179420:226508,O=C(c1cc(-c2ccc(OCC3CC3)nc2F)ccc1F)C1CC1,SKRMQBUGBWNKLF-UHFFFAOYSA-N
rxn:4:179427:223199,O=C(c1ccc(-c2cccc(C3CCNC3)c2)cc1F)C1CC1,DXDQIKPSGQIPPN-UHFFFAOYSA-N
rxn:4:181988:225900,Cc1ccc(-c2cc(F)c(-c3cc([N+](=O)[O-])ccc3CN(C)C)cc2F)cc1,CEKBYYRIDVPXTJ-UHFFFAOYSA-N
rxn:4:182030:223360,CNCc1cccc(-c2ccc(C3CCC(=O)CC3)cc2)c1F,WACNDTFNEIHIQN-UHFFFAOYSA-N
rxn:4:182945:225674,CC1Oc2cc(-c3cnc(C4CCCCC4)cc3F)ccc2C1=O,KDDKRMCFOJRNHL-UHFFFAOYSA-N
rxn:4:191328:225217,CCC(=O)c1cnc(-c2cnc(N3CCCC(C)C3)cc2F)s1,MQHZFXQNKQMJMF-UHFFFAOYSA-N
rxn:4:191522:224014,COC(=O)c1ccnc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2Cl)c1F,VPJBZGXMOYNUFT-UHFFFAOYSA-N
rxn:4:191731:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)cnc1OC(F)F,VHJGTRUXBHVTAO-UHFFFAOYSA-N
rxn:4:192078:223312,CN(c1ccc(-c2ccc(C3CNC3)cc2)cc1)C(F)(F)F,KFOJCKPKFFEXTA-UHFFFAOYSA-N
rxn:4:195541:226438,Cc1cc(N=C=S)ccc1-c1cnc(C2CCCC2)cc1F,GEXVTXUKJBZIJU-UHFFFAOYSA-N
rxn:4:195543:222925,Cc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc1[N+](=O)[O-],PWKWJJCIHMAFSR-UHFFFAOYSA-N
rxn:4:195598:222925,Cc1c(N=C=S)ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1Cl,NQYPOBHNCIZDQN-UHFFFAOYSA-N
rxn:4:195598:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(N=C=S)c(C)c1Cl,IVDIQEDQAXXWLO-UHFFFAOYSA-N
rxn:4:195598:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(N=C=S)c(C)c1Cl,INTCSYNEKVIICX-UHFFFAOYSA-N
rxn:4:195599:223239,Cc1cc(-c2cncc(C3CCCN3)c2)c(Cl)cc1N=C=S,VLEMDUZPYFLJMC-UHFFFAOYSA-N
rxn:4:195604:226587,Cc1c(N=C=S)ccc(-c2cnc(OC3CCC3)cc2F)c1F,XZJFOGVQJUPYKV-UHFFFAOYSA-N
rxn:4:195612:226327,Cc1cc(-c2ccc(C3(C#N)CC3)cc2Cl)cc([N+](=O)[O-])c1Cl,QQUQXHRKJPSRPP-UHFFFAOYSA-N
rxn:4:195632:227413,Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCC3)cc2F)c1Cl,YFJFSCBSQKDADJ-UHFFFAOYSA-N
rxn:4:195807:223004,Fc1cnc(C2CC2)cc1-c1ccc(C2CCNCC2)c(F)c1,FQXCCQZIFCQNTO-UHFFFAOYSA-N
rxn:4:196032:226112,CC(=O)c1cc(-c2ccc(OCC3CC3)cc2C)cnc1C,KQNSEUFLBWSGGW-UHFFFAOYSA-N
rxn:4:196032:226179,CC(=O)c1cc(-c2cncc(C3CCCCC3)c2)cnc1C,SGXQQGWAWBMFFY-UHFFFAOYSA-N
rxn:4:196115:225677,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCCC3)nc2F)c1C,DACNMFMUBBKEKO-UHFFFAOYSA-N
rxn:4:196226:225566,Cc1cc(C2CC2)ncc1-c1ccc(OCC2(C)COC2)cc1,UWWHPHJZTZNKST-UHFFFAOYSA-N
rxn:4:196245:223147,Fc1c(C2CCC2)ccnc1-c1ccc(C2CNCCO2)cc1,WSHBPQUOTSXQAO-UHFFFAOYSA-N
rxn:4:196616:225942,CC(C)c1ncc(-c2ccc(C3COCCO3)nc2F)cc1C(F)(F)F,WXRNMQJIJCVHNG-UHFFFAOYSA-N
rxn:4:196867:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CCOCC3)nc2F)c1,VAYUUHSNOLFHDS-UHFFFAOYSA-N
rxn:4:196969:228578,Clc1cc(C2CCCCC2)ncc1-c1ccc(C2CC2)nc1,NETPEDIAUGLFMT-UHFFFAOYSA-N
rxn:4:198288:222925,Cc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cnc(F)c1Cl,VCZKTLHPZJIHIL-UHFFFAOYSA-N
rxn:4:203154:227953,Cc1cc(N(C)C)ccc1-c1cnc(OCC2CCC2)nc1,VRKASJJDRQXQKH-UHFFFAOYSA-N
rxn:4:203190:228139,COc1cc(C#N)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,QSNHVWMZYQCEGV-UHFFFAOYSA-N
rxn:4:203190:228325,COc1cc(OC)c(-c2cnc(OCC3CC(F)(F)C3)nc2)cn1,QDYFMICBWBADGT-UHFFFAOYSA-N
rxn:4:205350:223200,N#Cc1c(-c2ccc(C3CCNC3)cc2)cncc1C1CC1,FOCNWQGUQANXMQ-UHFFFAOYSA-N
rxn:4:206032:226320,N#CC1(c2ccc(F)c(-c3ccc(OC4CCCC4)nn3)c2)CC1,HAEXFJYMVILRBI-UHFFFAOYSA-N
rxn:4:208131:223005,FC(F)c1cnc(-c2ccc(C3CCNCC3)c(Cl)c2)cn1,KQNZREFMRXBEOO-UHFFFAOYSA-N
rxn:4:208261:225905,C#Cc1ncc(-c2ccc(C(=O)N(C)OC)cc2Cl)c(C)n1,AOXABOPAKYBLOM-UHFFFAOYSA-N
rxn:4:208301:225881,Cc1cc(C#N)ncc1-c1ccc(C2CCOCC2)nc1F,FNHIJCUGRGZWQH-UHFFFAOYSA-N
rxn:4:209970:225219,CC1CCCCN1c1cc(F)c(-c2cc([N+](=O)[O-])c3cc[nH]c3c2)cn1,WARLZQKACIMWRF-UHFFFAOYSA-N
rxn:4:176781:223200,CCOCc1cc(-c2ccc(C3CCNC3)cc2)ccc1F,MOEFZWXWUYOCJB-UHFFFAOYSA-N
rxn:4:178073:222405,Cc1cc(-c2cccc(C3NC(=O)NC3=O)c2)ccc1-c1ccc(OC(F)(F)F)cc1,JAUFCZNDFUTIOQ-UHFFFAOYSA-N
rxn:4:180944:223130,OC1CN(Cc2ccc(-c3ccc(C(F)F)c(Cl)c3)cc2)C1,NFTDMXPKGACCML-UHFFFAOYSA-N
rxn:4:181026:223000,Fc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CCCNC2)c(F)c1,RHQZGNPWQHPQLT-UHFFFAOYSA-N
rxn:4:181444:226730,Fc1c(-c2cnc(OC3CCC3)nc2Cl)cccc1C1CC1,KTRLNTQIGCSWMR-UHFFFAOYSA-N
rxn:4:181995:222985,Cc1cc(-c2ccc(C3CCCNC3)nc2C)ccc1-c1cccc(F)c1F,KYOQWPIOJSDLPH-UHFFFAOYSA-N
rxn:4:184274:223312,N#Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(C2CNC2)cc1,ASFVONKLJQVUMG-UHFFFAOYSA-N
rxn:4:186425:222405,N#Cc1cc(-c2cccc(C3NC(=O)NC3=O)c2)ccc1-c1ccc(OC(F)(F)F)cc1,GTHGLSYLTRVNFR-UHFFFAOYSA-N
rxn:4:189246:222456,CN(C)CCc1ccc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c(F)c1,CKRRCBQQENOKTB-UHFFFAOYSA-N
rxn:4:189248:224390,CN(C)CCc1ccc(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1,PZSVLIQVPMLHDW-UHFFFAOYSA-N
rxn:4:191300:222999,Fc1c(OC(F)F)ccnc1-c1cc(Cl)cc(C2CCCNC2)c1,WLBZGFDYKRVNFZ-UHFFFAOYSA-N
rxn:4:191432:223062,CCCc1cnc(-c2cnc(C3CCNCC3)cc2F)s1,MANVZJYLQBYUAM-UHFFFAOYSA-N
rxn:4:191828:223200,COc1nc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,VLXLWZFWTLIGGB-UHFFFAOYSA-N
rxn:4:192580:228632,Cc1cc(C)c(-c2cnc(OC3CCSC3)c(F)c2)c(C)n1,QGIFPLIANLKKBE-UHFFFAOYSA-N
rxn:4:192727:224386,CC(=O)c1cc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)cc(C2COC2)n1,MSOZDLZFHJIITB-UHFFFAOYSA-N
rxn:4:193304:225321,CCOC(=O)c1cnn2cc(-c3cc(C(C)(C)C)cc(C(C)=O)n3)cnc12,OIYODMIIKSKECP-UHFFFAOYSA-N
rxn:4:194101:225677,CC(=O)Oc1c[nH]c2cc(-c3ccc(C4CCCCC4)nc3F)ccc12,AGQLPAKRWNKDFS-UHFFFAOYSA-N
rxn:4:194167:225677,COC(=O)c1c(F)cc(-c2ccc(C3CCCCC3)nc2F)c2[nH]ccc12,CCQOTCIDHJYTIL-UHFFFAOYSA-N
rxn:4:194518:222404,O=C1NC(=O)C(c2ccc(-c3cccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)c3)cc2)N1,DXQRPCLYWKMMRB-UHFFFAOYSA-N
rxn:4:195010:223002,N#Cc1cc(-c2ccc(C3CCNCC3)cc2F)c(F)c(F)c1F,OOLXUYGCIXDSFY-UHFFFAOYSA-N
rxn:4:195065:225456,CN1CCC(c2ccc(-c3cc(N=C=S)ccc3F)cc2)CC1,TUSZTDHXQXSAGP-UHFFFAOYSA-N
rxn:4:195392:224778,C#Cc1cc(C)c(-c2c(F)cc(OC3CCOCC3)cc2F)cn1,ZYCNHXTZXOFKBQ-UHFFFAOYSA-N
rxn:4:195462:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(C#N)c(C)c1Cl,TZQJPQMRLZUECL-UHFFFAOYSA-N
rxn:4:195495:223000,Cc1c(F)c(F)c(F)c(C#N)c1-c1ccc(C2CCCNC2)c(F)c1,MPVUESLPGAAESG-UHFFFAOYSA-N
rxn:4:195621:223147,Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CNCCO2)cc1,YSAZZSODCBZKQH-UHFFFAOYSA-N
rxn:4:195622:223144,Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(N2CCC(O)C2)cc1,KZVQTEJJJGYMIW-UHFFFAOYSA-N
rxn:4:195632:227628,Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCC3)nc2Cl)c1Cl,XHCSHIQPYOPXCG-UHFFFAOYSA-N
rxn:4:195794:223147,Clc1cc(-c2ccc(C3CNCCO3)cc2)ncc1C1CC1,HCNOZIBJNNRVTP-UHFFFAOYSA-N
rxn:4:196851:227311,CCC(C)c1cc(F)c(-c2ccc(C3CCOC3)nc2C)cn1,HAGKFQIDFJGXRL-UHFFFAOYSA-N
rxn:4:197180:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)(F)F)c2cc[nH]c12,NRGOYORVSQQVJM-UHFFFAOYSA-N
rxn:4:198160:222803,Fc1cnc(Cl)cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,AYLOYEQRUMBYNU-UHFFFAOYSA-N
rxn:4:201589:224259,CN(C)CCN(C)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1,QQBRHBDXLIPQMA-UHFFFAOYSA-N
rxn:4:203146:223311,c1cc(-c2cnc(OCC3CCC3)cn2)cc(C2CNC2)c1,YNEFTPLFMHJUSZ-UHFFFAOYSA-N
rxn:4:203146:225704,CCn1c(C)nc2cc(-c3cnc(OCC4CCC4)cn3)c(F)cc21,SFZKJLSKLPUMGV-UHFFFAOYSA-N
rxn:4:203190:229021,Cc1nccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1C,XVRSXGIEIFBTIL-UHFFFAOYSA-N
rxn:4:207613:223280,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cnc(C5CCNC5)nc4)cc3)nc2c1,PXWHUQKQLVPHDI-UHFFFAOYSA-N
rxn:4:209000:222482,Cc1ccc(NC(=O)c2ccc(-c3cnc(C4CCC4)nc3Cl)cc2F)c(C)c1,DKHKKXVOGVVBOJ-UHFFFAOYSA-N
rxn:4:210025:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc2ncc(C#N)c(Cl)c2c1,KATWXTKFGKRVPC-UHFFFAOYSA-N
rxn:4:210435:225802,Cc1cc2c([N+](=O)[O-])cc(-c3ccc(OC4CCCC4)nc3F)cc2[nH]1,OSYPXXPLVVUKGG-UHFFFAOYSA-N
rxn:4:211748:222803,Cc1noc2ncc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc12,UKNCXJDLORKAMG-UHFFFAOYSA-N
rxn:4:217545:223000,Cc1c([N+](=O)[O-])cc(-c2ccc(C3CCCNC3)c(F)c2)c2[nH]ncc12,WQNXPXBQKLQFDX-UHFFFAOYSA-N
rxn:4:176366:223240,FC(F)(F)CSc1ccc(-c2ccc(C3CCNC3)nc2)cc1,DIZRXDNRELGMBP-UHFFFAOYSA-N
rxn:4:176473:223241,CSc1cc(OC(F)F)ccc1-c1cncc(C2CCNC2)c1,DCZXQVSDTRAQEW-UHFFFAOYSA-N
rxn:4:177019:223311,Fc1cc(OCC2CC2)ccc1-c1cccc(C2CNC2)c1,XSNZWNICMYQQPL-UHFFFAOYSA-N
rxn:4:178078:223242,COc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccnc(C3CCNC3)c2)cc1,VIOAYUUXTYTISZ-UHFFFAOYSA-N
rxn:4:178748:223000,Fc1cc(-c2ccc(C#CC(F)(F)F)cc2)ccc1C1CCCNC1,GTWOLVRERXBVNW-UHFFFAOYSA-N
rxn:4:179033:223200,Cc1cc(OC(F)F)ccc1-c1ccc(C2CCNC2)cc1,LQSQJYPECVVIHF-UHFFFAOYSA-N
rxn:4:180997:223200,Fc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,RQJJUNQFMBBTAX-UHFFFAOYSA-N
rxn:4:181321:223240,CC(F)(F)c1ccc(-c2ccc(C3CCNC3)nc2)cc1Cl,VGRFTDQKMRQCQU-UHFFFAOYSA-N
rxn:4:181459:222985,CSc1cc(C)c(-c2ccc(C3CCCNC3)nc2C)cc1F,HMOBIDWLRYJVAP-UHFFFAOYSA-N
rxn:4:181550:225677,CC(=O)c1cc(C)c(Cl)c(-c2ccc(C3CCCCC3)nc2F)c1,HBNOELFWVVMUNS-UHFFFAOYSA-N
rxn:4:181794:222807,O=C(NC1CC1)c1cc(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc([N+](=O)[O-])c1,QZQMDTKSVOILOT-UHFFFAOYSA-N
rxn:4:182520:223002,Cc1c(Cl)ccc(-c2ccc(C3CCNCC3)cc2F)c1F,WQHDXDBVOYBYHO-UHFFFAOYSA-N
rxn:4:185710:223200,FC(F)(F)CCOc1cc(-c2ccc(C3CCNC3)cc2)ccn1,GTIXFYFXQSRILZ-UHFFFAOYSA-N
rxn:4:185741:223311,FC(F)(F)C(F)(F)COc1ccc(-c2cccc(C3CNC3)c2)cn1,BKORNIALTPAUEW-UHFFFAOYSA-N
rxn:4:188951:223200,CC(C)COc1cncc(-c2ccc(C3CCNC3)cc2)c1,GSGKKPKQFHJXNC-UHFFFAOYSA-N
rxn:4:191817:223311,Cc1cc(-c2cccc(C3CNC3)c2)cnc1OC(F)(F)F,ZXKASELLWOFXCD-UHFFFAOYSA-N
rxn:4:195034:225456,CN1CCC(c2ccc(-c3ccc(N=C=S)cc3)cc2)CC1,SMBCOQHTRXWXJE-UHFFFAOYSA-N
rxn:4:195179:223005,O=[N+]([O-])c1c(-c2ccc(C3CCNCC3)c(Cl)c2)ccc(F)c1F,XDDLXXQZKJOGOM-UHFFFAOYSA-N
rxn:4:195360:225677,CSc1ccc(-c2ccc(C3CCCCC3)nc2F)nc1F,ALJCLMULLCIWPA-UHFFFAOYSA-N
rxn:4:195616:223147,Cc1c(F)cc(-c2ccc(C3CNCCO3)cc2)cc1[N+](=O)[O-],MQRIKPNSLNARBH-UHFFFAOYSA-N
rxn:4:195621:222437,Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,FBRZIIWYCLHVLC-UHFFFAOYSA-N
rxn:4:195621:225300,Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(OC2CCOCC2)nc1F,JJINYHQGZNGMJT-UHFFFAOYSA-N
rxn:4:195642:225223,Cc1cc(F)c(-c2cnc(N3CCC(C)CC3)cc2F)cc1[N+](=O)[O-],XBNNDLCKCBKYHJ-UHFFFAOYSA-N
rxn:4:195755:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C2CCC2)o1,LKWXJFMRKXMRMB-UHFFFAOYSA-N
rxn:4:195810:226293,Fc1c(-c2ccc(OCC3CC3)c(Cl)c2)ccnc1C1CC1,ODYURUIWRQCYIP-UHFFFAOYSA-N
rxn:4:196001:226587,CC(=O)c1ccc(-c2cnc(OC3CCC3)cc2F)c(C)n1,AHMSJPVMBLWIER-UHFFFAOYSA-N
rxn:4:196661:223199,Cc1cc(C2CCC2)ncc1-c1cccc(C2CCNC2)c1,ABUFBKRKEBEVLK-UHFFFAOYSA-N
rxn:4:196843:222405,O=C1NC(=O)C(c2cccc(-c3ccc(N4CCSCC4)cc3)c2)N1,KGFVTONEJXMXLE-UHFFFAOYSA-N
rxn:4:197446:226323,CC(=O)n1cc(-c2ccc(OC3CCCC3)nc2)c2cc(Cl)ccc21,LQVMISDGXMJXQW-UHFFFAOYSA-N
rxn:4:198289:223005,Cc1c(Cl)ncc(-c2ccc(C3CCNCC3)c(Cl)c2)c1F,WKUDCQWSEGZJGW-UHFFFAOYSA-N
rxn:4:203190:228133,N#CCc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1F,PJPCUOFXQZSHOG-UHFFFAOYSA-N
rxn:4:205669:228014,Clc1c(-c2cnc(OC3CCOC3)nc2)cccc1C1CC1,IAAWYBGRLPROSF-UHFFFAOYSA-N
rxn:4:206044:228214,Fc1cc(C2CC2)ncc1-c1cnc(OC2CCCC2)nc1,DQBLGPGTLVMAQV-UHFFFAOYSA-N
rxn:4:208049:225201,N#Cc1cc(Cl)c(-c2ccc(OC3CCCC3)c(F)c2F)cn1,PJKKNFNGQGLUKM-UHFFFAOYSA-N
rxn:4:208172:223002,O=[N+]([O-])c1cncc(-c2ccc(C3CCNCC3)cc2F)c1F,CSPFPAONIRJSNC-UHFFFAOYSA-N
rxn:4:208321:225881,Cc1cc(C#N)nc(Cl)c1-c1ccc(C2CCOCC2)nc1F,URYCQDJIZJEGCD-UHFFFAOYSA-N
rxn:4:208362:225677,Fc1nc(C2CCCCC2)ccc1-c1ncc(C2CC2)[nH]1,DYEUDUNLVHZVHK-UHFFFAOYSA-N
rxn:4:208994:225129,Cc1nc(C2CC2)ncc1-c1ccc(C(=O)OC(C)(C)C)cc1F,DGQXPTDMOYOOCG-UHFFFAOYSA-N
rxn:4:225456:207995,CN1CCC(c2ccc(-c3nnc(C(F)F)s3)cc2)CC1,ZNSPKURVQCZCDH-UHFFFAOYSA-N
rxn:4:175247:228216,COc1cc(-c2cncc(C3CC3)c2Cl)ccc1OCC1CC1,ZYOCGISAYWRQTN-UHFFFAOYSA-N
rxn:4:175939:223360,CNCc1cccc(-c2ccc(COC3CCCCO3)cc2OC)c1F,TYRDMUXCSDGXMV-UHFFFAOYSA-N
rxn:4:176372:223239,FC(F)COc1cccc(-c2cncc(C3CCCN3)c2)c1Cl,NEESPHJXVHYBDW-UHFFFAOYSA-N
rxn:4:176402:223240,Fc1ccc(OCC(F)(F)F)cc1-c1ccc(C2CCNC2)nc1,JGJDNJXRKFFHFY-UHFFFAOYSA-N
rxn:4:177355:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1OCC(C)(F)F,ZRPXSBAZLDAWKM-UHFFFAOYSA-N
rxn:4:178362:223200,CCCC1CCC(c2ccc(-c3ccc(C4CCNC4)cc3)cc2)CC1,AYALWNSJGGXRPX-UHFFFAOYSA-N
rxn:4:179033:223280,Cc1cc(OC(F)F)ccc1-c1cnc(C2CCNC2)nc1,OXJRYUSZQWXUIM-UHFFFAOYSA-N
rxn:4:179688:223241,Cc1cc(OC2CC2)ccc1-c1cncc(C2CCNC2)c1,CZMNJLFFDNFTIS-UHFFFAOYSA-N
rxn:4:188744:228748,COc1cc(C)c(-c2ccc(C=C[N+](=O)[O-])c(OC)c2)cn1,RDPOMAXVRNEZJO-UHFFFAOYSA-N
rxn:4:191550:223200,FCC(F)(F)c1cccc(-c2ccc(C3CCNC3)cc2)n1,JBCKGBMKXWQLLO-UHFFFAOYSA-N
rxn:4:195006:223005,N#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)c(Cl)c2)c(F)c1F,AXMUSVHVOAVYLW-UHFFFAOYSA-N
rxn:4:195074:223005,Fc1c(N=C=S)cccc1-c1ccc(C2CCNCC2)c(Cl)c1,UIAOSWWCAMGDDF-UHFFFAOYSA-N
rxn:4:195152:226276,COc1ccc(-c2cc(F)c(N=C=S)cc2F)cc1CN(C)C,WNZNRYQSTSYGIQ-UHFFFAOYSA-N
rxn:4:195157:227631,CC(C)(C)c1ncc(-c2cc(Cl)c(F)c([N+](=O)[O-])c2)c(Cl)n1,GVUZWEKZZQCAHX-UHFFFAOYSA-N
rxn:4:195283:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(C2CC2)ns1,SIYSAOCRLNDWNI-UHFFFAOYSA-N
rxn:4:195462:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(C#N)c(C)c1Cl,YKYYMOPNJYCTDC-UHFFFAOYSA-N
rxn:4:195558:222925,FC(F)(F)c1cc(-c2cnc(C3OCCO3)s2)ccc1C1CNC1,JYKWHAQFFWSRJR-UHFFFAOYSA-N
rxn:4:195598:223197,Cc1c(N=C=S)ccc(-c2ccc(CNC3CC3)cc2)c1Cl,ZRHBIBQMIONLQY-UHFFFAOYSA-N
rxn:4:195598:226990,Cc1c(N=C=S)ccc(-c2ccc(CCN(C)C)cc2)c1Cl,CSDNYNVWJHOGPM-UHFFFAOYSA-N
rxn:4:195612:225601,Cc1cc(-c2ccc(C3(C#N)CCC3)cc2F)cc([N+](=O)[O-])c1Cl,SCVOIIZVJYDMSA-UHFFFAOYSA-N
rxn:4:195704:227628,Cc1c(F)c(-c2cnc(C3CCC3)nc2Cl)cc([N+](=O)[O-])c1F,NCHFJVZINPUXEQ-UHFFFAOYSA-N
rxn:4:196954:227764,CN1CCC(c2ccc(-c3cc(F)c(C(F)F)c(F)c3)cc2)C1,VYVOUHHZJNJDBK-UHFFFAOYSA-N
rxn:4:196969:228214,Fc1cc(C2CC2)ncc1-c1cnc(C2CCCCC2)cc1Cl,WTKSQDNQMWPVHC-UHFFFAOYSA-N
rxn:4:198540:222803,Fc1c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)ccc2cc[nH]c12,CKNXRKJUWHJKOD-UHFFFAOYSA-N
rxn:4:203006:227589,Cc1cc(OC(F)F)cc(-c2cnc(OCC3CC3)cn2)c1,GDZMQYAWPHTVMY-UHFFFAOYSA-N
rxn:4:203154:227989,CC#Cc1ccc(F)c(-c2cnc(OCC3CCC3)nc2)c1,ABZHMJRTRDOSRS-UHFFFAOYSA-N
rxn:4:205024:225852,N#Cc1ccc([N+](=O)[O-])cc1-c1cnc(C2CCCCC2)nc1Cl,UHFJNDZSUSQDJF-UHFFFAOYSA-N
rxn:4:205036:223142,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCCNC2)nc1,ULDDUEQBBAMHOM-UHFFFAOYSA-N
rxn:4:205037:226364,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(N2CCCCC2)nc1,PJPUUTJHYZSABH-UHFFFAOYSA-N
rxn:4:205037:226382,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1cnc(C2CCCCC2)nc1,FLURTKVHYCIDBX-UHFFFAOYSA-N
rxn:4:205045:226594,CC(C)Oc1cc(F)c(-c2cc([N+](=O)[O-])cc(C#N)c2F)c(F)c1,SADQTINPBSDENM-UHFFFAOYSA-N
rxn:4:205689:227980,Fc1cc(C2CC2)ccc1-c1cnc(OC2CCOC2)nc1Cl,DKHANOYGLCLSRM-UHFFFAOYSA-N
rxn:4:209183:222855,COc1cc(-c2cnc(-c3ccc(F)cc3)nc2Cl)cc(C2CCCNC2)c1,PBJARTIMVBRUDN-UHFFFAOYSA-N
rxn:4:209948:225201,N#Cc1cc(-c2ccc(OC3CCCC3)c(F)c2F)c2[nH]ccc2c1,IJSYUZHSIASMHZ-UHFFFAOYSA-N
rxn:4:209963:225869,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)c2[nH]ccc2c1,HCPLUIAXFOHGER-UHFFFAOYSA-N
rxn:4:210435:226145,Cc1cc2c([N+](=O)[O-])cc(-c3ccc(OC4CCCC4)cc3)cc2[nH]1,GEHJDQICLCXDHC-UHFFFAOYSA-N
rxn:4:214078:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)cc2)CC1,QNIVTYABBGHKFQ-WXUXXXNLSA-N
rxn:4:217242:225201,N#Cc1cc(-c2ccc(OC3CCCC3)c(F)c2F)nc2[nH]ccc12,CXIAECXQGYSJOF-UHFFFAOYSA-N
rxn:4:217285:225199,N#Cc1c(-c2cc(F)c(OC3CCCC3)c(F)c2)ccc2[nH]ncc12,LUKJASRDXSNSNV-UHFFFAOYSA-N
rxn:4:217311:225234,O=[N+]([O-])c1cc(-c2ccc(N3CCCCC3)c(F)c2F)c2[nH]ncc2c1,UEOJUZDRYQNNFN-UHFFFAOYSA-N
rxn:4:225511:188744,COc1cc(C)c2cc(-c3ccc(C=C[N+](=O)[O-])c(OC)c3)ccc2n1,MXOKKNWKDLHFBO-UHFFFAOYSA-N
rxn:4:176367:223312,FCC(F)(F)Oc1ccc(-c2ccc(C3CNC3)cc2)cc1,BGSOMWPUPYCDEQ-UHFFFAOYSA-N
rxn:4:176390:223242,Fc1cc(-c2ccnc(C3CCNC3)c2)c(F)cc1OCC(F)F,ZMGOFVOBPAOFGL-UHFFFAOYSA-N
rxn:4:179129:223241,COc1cc(C(F)(F)F)c(F)cc1-c1cncc(C2CCNC2)c1,CUDUMELECJNGAV-UHFFFAOYSA-N
rxn:4:180128:229094,Cc1ncc(-c2ccc(OC3CCCC3)c(F)c2F)c(C)n1,LDQOSYADODTLHX-UHFFFAOYSA-N
rxn:4:181040:223005,Fc1c(-c2ccc(C3CCNCC3)c(Cl)c2)ccc(C(F)(F)F)c1F,IELFELPSNKQGLV-UHFFFAOYSA-N
rxn:4:181157:225881,CSc1ccc(-c2ccc(C3CCOCC3)nc2F)c(F)c1F,BBFNAKRORSOKAG-UHFFFAOYSA-N
rxn:4:181496:223312,FC1(F)CC1(F)c1ccc(-c2ccc(C3CNC3)cc2)cc1,DDACLAHTCDYRDM-UHFFFAOYSA-N
rxn:4:181863:223240,CC(C)(C)c1ccc(-c2ccc(C3CCNC3)nc2)cc1F,ZUBLMFRWPZMHIO-UHFFFAOYSA-N
rxn:4:189201:223200,FC(F)(F)Oc1ccc(-c2cncc(-c3ccc(C4CCNC4)cc3)c2)cc1,DTBLRURVNNUGMQ-UHFFFAOYSA-N
rxn:4:191309:223200,Fc1nc(-c2ccc(C3CCNC3)cc2)ccc1OC(F)F,MDAMTMCTAWKKFA-UHFFFAOYSA-N
rxn:4:191381:223200,N#CC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cc1,OLNJMVZURHDLDW-UHFFFAOYSA-N
rxn:4:191828:223199,COc1nc(C(F)(F)F)ccc1-c1cccc(C2CCNC2)c1,QDDVDVMKHOURGY-UHFFFAOYSA-N
rxn:4:192173:223200,CC(C)Oc1cc(-c2ccc(C3CCNC3)cc2)c(F)cn1,VBZZSYMMBPXRJI-UHFFFAOYSA-N
rxn:4:194579:222858,CN(C)CCNC(=O)c1cccc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1,GXFIVWOKYLQPLK-UHFFFAOYSA-N
rxn:4:195124:223147,Fc1nc(-c2ccc(C3CNCCO3)cc2)ccc1C(F)F,LIDNDBYEXPMTKJ-UHFFFAOYSA-N
rxn:4:195157:226990,CN(C)CCc1ccc(-c2cc(Cl)c(F)c([N+](=O)[O-])c2)cc1,OEBYYZOUUUGXSO-UHFFFAOYSA-N
rxn:4:195599:227432,Cc1cc(-c2ccc(C3COC3)nc2C)c(Cl)cc1N=C=S,UIZDKGWSMWXDOR-UHFFFAOYSA-N
rxn:4:195612:226329,Cc1cc(-c2ccc(C3(C#N)CC3)c(F)c2)cc([N+](=O)[O-])c1Cl,GTQVRWRTPSGQQI-UHFFFAOYSA-N
rxn:4:196802:222848,CCc1cc(-c2ccc(-c3ccc(C)nc3)c(F)c2)cc(C2CCCNC2)n1,CKHRLMKZZJDYJD-UHFFFAOYSA-N
rxn:4:196851:227084,Cc1nc(C2CCOC2)ccc1-c1ccc(C(C)(C)C)nc1C,VGNSTWYRMYYNKS-UHFFFAOYSA-N
rxn:4:196858:228224,Cc1cc(C#N)cc(-c2cnc(C3CCOCC3)cc2Cl)c1Cl,MOYAPQZAXREDRS-UHFFFAOYSA-N
rxn:4:198289:222511,Cc1c(Cl)ncc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c1F,UPFKKQVUBFLPFH-UHFFFAOYSA-N
rxn:4:198289:225723,Cc1c(Cl)ncc(-c2ccc(OCCN(C)C)c(Cl)c2)c1F,OYCGKKGVFSEIHP-UHFFFAOYSA-N
rxn:4:201287:227283,CC(F)(F)COc1ncc(-c2cc(C#N)nc(C3CC3)c2)cc1C#N,ZRDFZEMUAPLAMS-UHFFFAOYSA-N
rxn:4:202978:227749,O=C([O-])[CH+]C=Cc1ncc(-c2cc(F)cc(C(F)(F)F)c2)cn1,KJRRAAQMNHNAEZ-UHFFFAOYSA-N
rxn:4:203154:227199,CN1C(=O)Cc2ccc(-c3cnc(OCC4CCC4)nc3)cc21,OYWZLWNKIBSMJH-UHFFFAOYSA-N
rxn:4:203859:224860,CCCOc1ccc2cc(-c3ccc(CN4CCC(N(C)C)C4)cc3)ccc2c1,GLGHFUUFZVDRSR-UHFFFAOYSA-N
rxn:4:205064:223000,N#Cc1nc(C(F)(F)F)ccc1-c1ccc(C2CCCNC2)c(F)c1,TZGBXAJFEUGTSA-UHFFFAOYSA-N
rxn:4:205425:225881,O=[N+]([O-])c1cc(-c2cnco2)cc(-c2ccc(C3CCOCC3)nc2F)c1,YUEIPPSAVVVHDO-UHFFFAOYSA-N
rxn:4:205484:226155,CC(=O)c1cc(-c2ccc(OC3CCC3)nn2)cc(C2CC2)c1,WBBIMAAXIJDFAK-UHFFFAOYSA-N
rxn:4:206048:226340,Cc1nc(OC2CCC2)ncc1-c1cc(C#N)cc(C2CC2)c1Cl,ZZQCFAQMBYCCEN-UHFFFAOYSA-N
rxn:4:208362:225201,Fc1c(OC2CCCC2)ccc(-c2ncc(C3CC3)[nH]2)c1F,VYPGUQMVTNOIOJ-UHFFFAOYSA-N
rxn:4:209475:225684,Cc1nc(C2CCOCC2)ccc1-c1cnc(C2CCC2)nc1C,WHYZRVYFOIFDRG-UHFFFAOYSA-N
rxn:4:209948:225320,N#Cc1cc(-c2ccc(N3CCOCC3)c(F)c2F)c2[nH]ccc2c1,QJVBBZGHDGQCLE-UHFFFAOYSA-N
rxn:4:215440:223200,C[C@@H](N=[N+]=[N-])c1ccc(F)c(-c2ccc(C3CCNC3)cc2)c1,APRPVNISUAWYQH-ZGTOLYCTSA-N
rxn:4:217340:225320,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(F)c2F)c2[nH]cnc2c1,CQKVKIYCOIBZIX-UHFFFAOYSA-N
rxn:4:218368:224705,Cc1nnc2cc(-c3ccc(N4CCC(C)CC4)c(F)c3F)c[nH]c1-2,WHLPGWTXCIJMGW-UHFFFAOYSA-N
rxn:4:176355:223239,FCCOc1ccc(-c2cncc(C3CCCN3)c2)cc1Cl,BZEHBSGDVAEURS-UHFFFAOYSA-N
rxn:4:176395:223312,FC(F)(F)COc1cc(-c2ccc(C3CNC3)cc2)ccc1Cl,BKBNYGFXIMJQAE-UHFFFAOYSA-N
rxn:4:178073:223311,Cc1cc(-c2cccc(C3CNC3)c2)ccc1-c1ccc(OC(F)(F)F)cc1,WLEBHZIXHHWTFE-UHFFFAOYSA-N
rxn:4:178840:223199,COC(=O)c1ccc(-c2cccc(C3CCNC3)c2)cc1Cl,FFVIVPZJNJLJNV-UHFFFAOYSA-N
rxn:4:179339:223200,C#CC1(c2ccc(-c3ccc(C4CCNC4)cc3)cc2)CC1,QMDRLCXTKSSLOR-UHFFFAOYSA-N
rxn:4:180076:223312,Cc1cc(C(=O)C(C)C)ccc1-c1ccc(C2CNC2)cc1,MDKHIKJBZIJSAX-UHFFFAOYSA-N
rxn:4:180960:223064,Fc1nc(C2CCNCC2)ccc1-c1cccc(C(F)F)c1F,JZLXSVHFFIDQIY-UHFFFAOYSA-N
rxn:4:182527:223062,Cc1cc(F)c(Cl)cc1-c1cnc(C2CCNCC2)cc1F,UPHNIDVINYFCGV-UHFFFAOYSA-N
rxn:4:182732:223000,Fc1cc(-c2ccc3c(c2)CC=C3)ccc1C1CCCNC1,JPGCLQTWPICDHE-UHFFFAOYSA-N
rxn:4:182863:223200,Fc1c(-c2ccc(C3CCNC3)cc2)ccc2c1OCCO2,IXTOJYZXKDUOHV-UHFFFAOYSA-N
rxn:4:183279:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc2c(c1)C1C(C2)C1(F)F,WZTZPCUEPTUPRX-UHFFFAOYSA-N
rxn:4:185754:226639,Cc1nccn1-c1cncc(-c2cncc(OC(C(F)(F)F)C(F)(F)F)c2)c1,FIAIMMOUACGRBM-UHFFFAOYSA-N
rxn:4:188709:227020,C(#CC1CC1)c1cncc(-c2ccc(OCC3CC3)nc2)c1,GRFBKZHIHVYDSG-UHFFFAOYSA-N
rxn:4:188821:226336,CCOC(=O)c1ccc(-c2cc(C#N)c(C3CC3)cc2Cl)nc1C,KBLSVNQCSKAVQR-UHFFFAOYSA-N
rxn:4:188855:223312,CC(C)Oc1ccc(-c2ccc(C3CNC3)cc2)c(C#N)c1,UKKWQRFNHOENLZ-UHFFFAOYSA-N
rxn:4:191283:223147,FC(F)(F)Sc1ccc(-c2ccc(C3CNCCO3)cc2)cn1,YCNFZQLSONXLBN-UHFFFAOYSA-N
rxn:4:194181:225674,COC(=O)c1ccnc2cc(-c3cnc(C4CCCCC4)cc3F)ccc12,DBCKGGSKFYNNEB-UHFFFAOYSA-N
rxn:4:195008:225923,N#Cc1cc(F)c(F)c(-c2cnc(OC3CCCC3)nc2Cl)c1F,HVFBXMGJZXIMSE-UHFFFAOYSA-N
rxn:4:195063:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(N=C=S)c(Cl)c1,MZQLYTLKKKBOSR-UHFFFAOYSA-N
rxn:4:195076:222925,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc1Cl,JAMLODADMHUMLG-UHFFFAOYSA-N
rxn:4:195185:223200,O=[N+]([O-])c1cc(F)c(F)cc1-c1ccc(C2CCNC2)cc1,XGSMMRAVGSISSX-UHFFFAOYSA-N
rxn:4:195207:227023,CC(c1ccc(-c2cnc(C(F)(F)F)cc2Cl)cc1)N(C)C,UYDXNWZQSHYDDR-UHFFFAOYSA-N
rxn:4:195309:223004,COc1cc(Cl)cnc1-c1ccc(C2CCNCC2)c(F)c1,ZZGCPGNEZKBHTO-UHFFFAOYSA-N
rxn:4:195599:223140,Cc1cc(-c2ccnc(C3CCCNC3)c2)c(Cl)cc1N=C=S,MKELPMKHONMXKK-UHFFFAOYSA-N
rxn:4:195600:223280,Cc1cc(N=C=S)c(F)cc1-c1cnc(C2CCNC2)nc1,RZOQUUMAEKYFIK-UHFFFAOYSA-N
rxn:4:195606:225881,Cc1c(Cl)cc(-c2ccc(C3CCOCC3)nc2F)cc1[N+](=O)[O-],YKHLJVSOUBQWQG-UHFFFAOYSA-N
rxn:4:195616:225601,Cc1c(F)cc(-c2ccc(C3(C#N)CCC3)cc2F)cc1[N+](=O)[O-],HFBGEBFTODVUBV-UHFFFAOYSA-N
rxn:4:195695:223241,Cc1nc(C(F)(F)F)ccc1-c1cncc(C2CCNC2)c1,RKOFQIJVMLNTOW-UHFFFAOYSA-N
rxn:4:195704:228360,Cc1c(F)c(-c2cnc(C(C)C)nc2Cl)cc([N+](=O)[O-])c1F,YNKXXPXQHMVTQT-UHFFFAOYSA-N
rxn:4:195820:226729,Fc1c(-c2cnc(OC3CCOC3)nc2)cnc(Cl)c1C1CC1,QGLSYXKOEDPAPY-UHFFFAOYSA-N
rxn:4:196616:226132,Cc1cc(C2(C#N)CC2)ccc1-c1ccc(C2COCCO2)nc1F,FCGWIAAJXJHFOS-UHFFFAOYSA-N
rxn:4:196750:228578,Fc1c(-c2ccc(C3CC3)nc2)ccc(N2CCCC2)c1F,XMTMNWVCYNDALD-UHFFFAOYSA-N
rxn:4:196867:226320,N#CC1(c2ccc(F)c(-c3ccc(C4CCOCC4)nc3F)c2)CC1,WKSQQSMVDLGWID-UHFFFAOYSA-N
rxn:4:196954:224390,CN1CCC(c2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)nc3)cc2)C1,SKPYTEZMSPNCNX-UHFFFAOYSA-N
rxn:4:196969:229086,CC(=O)c1ccc(-c2cnc(C3CCCCC3)cc2Cl)s1,OEFNEPIQYAPZJG-UHFFFAOYSA-N
rxn:4:202978:228449,CSc1cc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)c(F)cc1Cl,YANDWPVZHXEGII-UHFFFAOYSA-N
rxn:4:210660:223306,CC12CC(c3ncc(-c4ccc5c(c4)CNCC5)cn3)(C1)C2,YJIQATGTTIWTSA-UHFFFAOYSA-N
rxn:4:226328:188744,COc1cc(-c2ccc(C(C)(C)C#N)c(F)c2)ccc1C=C[N+](=O)[O-],ZFZTYISQOKSYBG-UHFFFAOYSA-N
rxn:4:173754:223360,CNCc1cccc(-c2ccc(OCCCC(F)(F)F)cc2)c1F,RMXYHOGNNZDAJG-UHFFFAOYSA-N
rxn:4:177677:223200,Fc1cc(-c2ccc(OC(F)(F)F)cc2)cc(-c2ccc(C3CCNC3)cc2)c1,DZEOHGLBXGCNCZ-UHFFFAOYSA-N
rxn:4:178681:223312,Fc1cc(OC(F)F)cc(F)c1-c1ccc(C2CNC2)cc1,NEAXIGPLTVCIEG-UHFFFAOYSA-N
rxn:4:180453:229094,Cc1ncc(-c2ccc(OC3CCCCC3)cc2C)c(C)n1,SITIVUXDHKTYRX-UHFFFAOYSA-N
rxn:4:181116:223064,CSc1c(F)ccc(-c2ccc(C3CCNCC3)nc2F)c1Cl,PLNZVZTZMITBFU-UHFFFAOYSA-N
rxn:4:181647:223312,Cc1cc(C(F)(F)F)cc(C)c1-c1ccc(C2CNC2)cc1,WCSVPXIIVJSEKB-UHFFFAOYSA-N
rxn:4:182578:223002,Cc1c(Cl)ccc(-c2ccc(C3CCNCC3)cc2F)c1C,KBBUMRNQRIKPQV-UHFFFAOYSA-N
rxn:4:183141:223242,CC1CCc2cc(-c3ccnc(C4CCNC4)c3)ccc2O1,SAAXIOIZSVCODJ-UHFFFAOYSA-N
rxn:4:189265:228247,CC(=O)c1ccc(F)c(-c2ccc(C(=O)OC(C)(C)C)cn2)c1,ZTQUMCGWEIRBMR-UHFFFAOYSA-N
rxn:4:191771:226327,CSc1cc(-c2ccc(C3(C#N)CC3)cc2Cl)cc([N+](=O)[O-])c1Cl,XVFMQWQPRNZHCI-UHFFFAOYSA-N
rxn:4:192007:225674,COC(=O)c1cc(-c2cnc(C3CCCCC3)cc2F)ncc1C,HBNYJNMFGXBLQK-UHFFFAOYSA-N
rxn:4:194517:223241,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4cncc(C5CCNC5)c4)cc3)nc2c1,PEXHYEJANCGFMB-UHFFFAOYSA-N
rxn:4:195066:225192,Fc1cc(N=C=S)ccc1-c1cc(OC2CCCCC2)ncc1F,AXFAKNFHCDKLLG-UHFFFAOYSA-N
rxn:4:195157:225601,N#CC1(c2ccc(-c3cc(Cl)c(F)c([N+](=O)[O-])c3)c(F)c2)CCC1,SOARNMXTUQEQAM-UHFFFAOYSA-N
rxn:4:195161:225217,CC1CCCN(c2cc(F)c(-c3cc([N+](=O)[O-])cc(Cl)c3F)cn2)C1,USBALFKIVJODEY-UHFFFAOYSA-N
rxn:4:195604:223170,Cc1c(N=C=S)ccc(-c2cnc(C3CCCNC3)nc2)c1F,VBWGHWCRZBHGRU-UHFFFAOYSA-N
rxn:4:195612:223142,Cc1cc(-c2ccc(C3CCCNC3)nc2)cc([N+](=O)[O-])c1Cl,QHORMTFTFWYPEC-UHFFFAOYSA-N
rxn:4:195638:225601,Cc1cc(-c2ccc(C3(C#N)CCC3)cc2F)cc(Cl)c1[N+](=O)[O-],GBGTVJWWRYAKCT-UHFFFAOYSA-N
rxn:4:195774:225454,CN1CC=C(c2ccc(-c3ccc(C4CC4)nc3)cc2)CC1,VYCYAGDIUFGEAE-UHFFFAOYSA-N
rxn:4:197700:223200,CC12CC(c3ccnc(-c4ccc(C5CCNC5)cc4)c3)(C1)C2,XSQAHMJJQFAJCU-UHFFFAOYSA-N
rxn:4:197701:223241,CC12CC(c3cc(-c4cncc(C5CCNC5)c4)ccn3)(C1)C2,RPXYYFUQARBIFY-UHFFFAOYSA-N
rxn:4:198289:225601,Cc1c(Cl)ncc(-c2ccc(C3(C#N)CCC3)cc2F)c1F,LQHNDSSJKMWXKP-UHFFFAOYSA-N
rxn:4:201287:229094,Cc1ncc(-c2cnc(OCC(C)(F)F)c(C#N)c2)c(C)n1,SVBLDAFDJQGKDW-UHFFFAOYSA-N
rxn:4:202951:225613,COc1cc([N+](=O)[O-])cc(-c2ccnc(OC3CCCCC3)c2)c1C#N,LJVFRCWHACYDTH-UHFFFAOYSA-N
rxn:4:203190:227185,CN1CCOc2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)cc21,FOBNTFGVIBQLOL-UHFFFAOYSA-N
rxn:4:203190:228924,COc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(Cl)n1,MYOZDLOJBILYEB-UHFFFAOYSA-N
rxn:4:205036:223139,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCNCC2)nc1,DHCOLDCLRXEHJN-UHFFFAOYSA-N
rxn:4:205037:223065,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(N2CCNCC2)cc1F,QAQNQKRNLDSTPS-UHFFFAOYSA-N
rxn:4:205264:225881,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCOCC3)nc2F)c1C#N,BWZOJVDRRFZNHE-UHFFFAOYSA-N
rxn:4:206005:227769,COc1ncc([N+](=O)[O-])cc1-c1cnc(-c2cccc(C(F)(F)F)c2)nc1Cl,FCJKDMRUURYYTK-UHFFFAOYSA-N
rxn:4:207037:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1cccc(CN2CCCN(C)CC2)c1,MHUBZUBTKNLIEL-UHFFFAOYSA-N
rxn:4:208303:225201,Cc1cnc(C#N)c(-c2ccc(OC3CCCC3)c(F)c2F)c1,DDNPUCMXNBBIDE-UHFFFAOYSA-N
rxn:4:208498:223147,c1cc(C2CNCCO2)ccc1-c1cnc(N2CCC2)s1,NPJUFTIHWKGPIE-UHFFFAOYSA-N
rxn:4:209970:225879,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)cc2F)cc2[nH]ccc12,YZEOFEMAGSKHHA-UHFFFAOYSA-N
rxn:4:210118:225674,N#Cc1nccc2c(F)c(F)c(-c3cnc(C4CCCCC4)cc3F)cc12,BNRMCPSPLYXGFK-UHFFFAOYSA-N
rxn:4:215320:225859,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(N2CCCCC2)c(Cl)c1,FOJDZLNPWZXPQO-UHFFFAOYSA-N
rxn:4:217244:225199,N#Cc1c[nH]c2c(-c3cc(F)c(OC4CCCC4)c(F)c3)ccnc12,JGQBAIIUDVIVFD-UHFFFAOYSA-N
rxn:4:217565:225677,Cn1cc2cc([N+](=O)[O-])cc(-c3ccc(C4CCCCC4)nc3F)c2n1,NLYCATGGXOKXIH-UHFFFAOYSA-N
rxn:4:224846:207351,CCC1CCC(c2ccc(-c3nc4[nH]cc(C(C)=O)c4cc3OC)cc2)CC1,NUEZPPFRYIGCDJ-UHFFFAOYSA-N
rxn:4:175939:223239,COc1cc(COC2CCCCO2)ccc1-c1cncc(C2CCCN2)c1,BYPMJLNDJDTUMQ-UHFFFAOYSA-N
rxn:4:176391:223360,CNCc1cccc(-c2ccc(OCC(F)(F)F)cc2Cl)c1F,NIQOAXFBWSTWCZ-UHFFFAOYSA-N
rxn:4:176803:223200,CCCOc1c(F)ccc(-c2ccc(C3CCNC3)cc2)c1F,MAAPYXUDNZDJGE-UHFFFAOYSA-N
rxn:4:177674:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)c(Cl)c3)c2)N1,CKCYDURMXUOHSV-UHFFFAOYSA-N
rxn:4:177836:223311,Cc1cc(OCC2OCCO2)ccc1-c1cccc(C2CNC2)c1,SQRSQCUJFNHJJZ-UHFFFAOYSA-N
rxn:4:178658:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)cc(Cl)c1OC(F)F,KSWFAWZQORUXTB-UHFFFAOYSA-N
rxn:4:179556:223200,CC(C)Oc1ccc(-c2ccc(C3CCNC3)cc2)cc1F,YGVYULSLGJHVGB-UHFFFAOYSA-N
rxn:4:180165:229094,Cc1ncc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)c(C)n1,SNGBRYBPSFLKKA-UHFFFAOYSA-N
rxn:4:180876:223064,C#Cc1ccc(-c2ccc(C3CCNCC3)nc2F)cc1Cl,DUOOBUDXPYZJLN-UHFFFAOYSA-N
rxn:4:180884:223064,C#Cc1cc(-c2ccc(C3CCNCC3)nc2F)ccc1F,ZDNFEMCEACRHOO-UHFFFAOYSA-N
rxn:4:181258:223241,FS(F)(F)(F)(F)c1cccc(-c2cncc(C3CCNC3)c2)c1,IZRRCZKMOYHCHD-UHFFFAOYSA-N
rxn:4:181542:223200,Fc1ccc(C2COC2)cc1-c1ccc(C2CCNC2)cc1,ROTBNGMJUOEUSA-UHFFFAOYSA-N
rxn:4:182235:223169,c1cc(-c2cnc(C3CCNCC3)nc2)cc(C23CC(C2)C3)c1,URWYDJPGYDUORP-UHFFFAOYSA-N
rxn:4:182473:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(F)c(F)c1Cl,ZUVDLKBUWIQNMZ-UHFFFAOYSA-N
rxn:4:182863:223240,Fc1c(-c2ccc(C3CCNC3)nc2)ccc2c1OCCO2,WWFZNEFCEIKJNC-UHFFFAOYSA-N
rxn:4:182884:223241,FC1(F)Oc2ccc(-c3cncc(C4CCNC4)c3)cc2OC1(F)F,CWDAIVKCXSLQAT-UHFFFAOYSA-N
rxn:4:192226:223312,FC(F)(F)C1(c2ccc(-c3ccc(C4CNC4)cc3)cn2)CC1,YIUPRCDEPNHEHU-UHFFFAOYSA-N
rxn:4:192580:226155,CC(=O)c1cc(-c2cnc(OC3CCSC3)c(F)c2)cc(C2CC2)c1,NYTNIYVCQAENLY-UHFFFAOYSA-N
rxn:4:193263:225601,Cc1ccc(-c2ccc(-c3ccc(C4(C#N)CCC4)cc3F)cc2)cc1[N+](=O)[O-],MFOOQAQAXZSCEI-UHFFFAOYSA-N
rxn:4:195184:222925,O=[N+]([O-])c1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc(F)c1F,HTJNNRYIXKYNJX-UHFFFAOYSA-N
rxn:4:195390:225601,C#Cc1cncc(-c2ccc(C3(C#N)CCC3)cc2F)c1C,RKJMCHRNFSAKCC-UHFFFAOYSA-N
rxn:4:195392:225601,C#Cc1cc(C)c(-c2ccc(C3(C#N)CCC3)cc2F)cn1,XIGHHJMPSFCDJO-UHFFFAOYSA-N
rxn:4:195624:225601,Cc1cc(-c2ccc(C3(C#N)CCC3)cc2F)cc([N+](=O)[O-])c1F,LPBBCAIEZWOYQT-UHFFFAOYSA-N
rxn:4:195704:228311,CCCc1ncc(-c2cc([N+](=O)[O-])c(F)c(C)c2F)c(Cl)n1,QJRRXNCCSFMWCA-UHFFFAOYSA-N
rxn:4:196226:226331,Cc1cc(C2CC2)ncc1-c1ccc(C2(C#N)CC2)cc1F,SWTPWINXHSRAGZ-UHFFFAOYSA-N
rxn:4:196227:226587,Cc1c(-c2cnc(OC3CCC3)cc2F)cncc1C1CC1,BCAJJRSJBGKOID-UHFFFAOYSA-N
rxn:4:196824:223312,c1cc(C2CCSCC2)cc(-c2ccc(C3CNC3)cc2)n1,VEUJSPJBFJUOTK-UHFFFAOYSA-N
rxn:4:196856:227084,Cc1nc(C(C)(C)C)ccc1-c1ccc(C2CCCCO2)nc1,AKZXNGJHKBJBTO-UHFFFAOYSA-N
rxn:4:201287:228766,CCc1ccc(-c2cnc(OCC(C)(F)F)c(C#N)c2)c(F)n1,AEFNIWYTBHTGNJ-UHFFFAOYSA-N
rxn:4:202161:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2)CC1,VTHZYCBGWSFJLS-DUYHBEBVSA-N
rxn:4:202978:227744,O=C([O-])[CH+]C=Cc1ncc(-c2ccc(Cl)c(C(F)(F)F)c2)cn1,AZLVWAJTDILYIA-UHFFFAOYSA-N
rxn:4:203190:227299,CN(C)Cc1cc(F)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,XCUSTEMKTCPRSO-UHFFFAOYSA-N
rxn:4:203190:228313,COc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(OC)n1,FLCPBWHSTRFNSC-UHFFFAOYSA-N
rxn:4:203965:223966,CN(C)C1CCN(C(=O)c2ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)c(Cl)c2)CC1,RIVTWENJAHKOJD-UHFFFAOYSA-N
rxn:4:208038:223004,N#Cc1cc(Cl)ncc1-c1ccc(C2CCNCC2)c(F)c1,LWRSOKMFXXQDGK-UHFFFAOYSA-N
rxn:4:208315:226675,Cc1c(-c2cnc(C3CCCC3)nc2Cl)cnc(Cl)c1C#N,SOEIIMOXAVQSJJ-UHFFFAOYSA-N
rxn:4:209449:226155,CC(=O)c1cc(-c2ccc(C3CCCC3)nn2)cc(C2CC2)c1,QCISWFHDOIHURI-UHFFFAOYSA-N
rxn:4:209963:225300,O=[N+]([O-])c1cc(-c2ccc(OC3CCOCC3)nc2F)c2[nH]ccc2c1,GOFBCONUBSANLV-UHFFFAOYSA-N
rxn:4:211234:222699,Cc1nc(F)nc(F)c1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,LLUGKTGTNHMHPF-UHFFFAOYSA-N
rxn:4:175442:223241,COC(=O)c1ccc(Oc2ccc(-c3cncc(C4CCNC4)c3)cc2)cc1,RWZILASXDJUFRE-UHFFFAOYSA-N
rxn:4:176907:223312,Cc1cc(-c2ccc(C3CNC3)cc2)ccc1OCC(F)(F)F,JAAXYHOJQRLGMM-UHFFFAOYSA-N
rxn:4:179038:223200,CCOc1cc(F)c(F)cc1-c1ccc(C2CCNC2)cc1,ONEOYLJDTISVKZ-UHFFFAOYSA-N
rxn:4:180108:229100,Cc1nccc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)c1F,PYIYCOJVDZEJPD-UHFFFAOYSA-N
rxn:4:180882:223064,C#Cc1cc(-c2ccc(C3CCNCC3)nc2F)ccc1Cl,UONOTRXVNYEAOI-UHFFFAOYSA-N
rxn:4:180953:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1,OQHPGAHYPLUEBM-UHFFFAOYSA-N
rxn:4:181266:223139,Fc1cc(-c2ccc(C3CCNCC3)nc2)cc(S(F)(F)(F)(F)F)c1,KDMURJXTONNOGK-UHFFFAOYSA-N
rxn:4:181401:226025,Clc1nc(OC2CCOC2)ncc1-c1cc(C2CCC2)co1,YWNXHSOZQGRLJG-UHFFFAOYSA-N
rxn:4:181646:227794,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)c(F)c2)C1,GZARHUVXPZBCOJ-UHFFFAOYSA-N
rxn:4:181937:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)ccc1C1CCCC1,ZJIDQAWQDJQYPY-UHFFFAOYSA-N
rxn:4:191277:223147,FC(F)Oc1ncc(-c2ccc(C3CNCCO3)cc2)cc1Cl,PCHXIUQNFKZVMT-UHFFFAOYSA-N
rxn:4:191768:227419,COc1c(Cl)cc(-c2ccc(C3CCC3)nc2F)cc1[N+](=O)[O-],PEMMMSRKGPYNMA-UHFFFAOYSA-N
rxn:4:195063:223008,Fc1ccc(C2CCNCC2)cc1-c1ccc(N=C=S)c(Cl)c1,JIKINXPDNYDQLA-UHFFFAOYSA-N
rxn:4:195103:223005,FC(F)c1nc(Cl)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,PFXVISFHPOPYBQ-UHFFFAOYSA-N
rxn:4:195140:223059,FC(F)(F)c1ccc(-c2ccc(N3CCNCC3)cc2Cl)cn1,KYSFXRATTXNFNG-UHFFFAOYSA-N
rxn:4:195604:225852,Cc1c(N=C=S)ccc(-c2cnc(C3CCCCC3)nc2Cl)c1F,CZUBYZMUJYDABF-UHFFFAOYSA-N
rxn:4:195780:225454,COc1cncc(-c2ccc(C3=CCN(C)CC3)cc2)c1C,ULOAMQXPHCBUPY-UHFFFAOYSA-N
rxn:4:195820:226590,Fc1c(-c2ccc(OC3CCOC3)nc2)cnc(Cl)c1C1CC1,BCVDEOWRPISARK-UHFFFAOYSA-N
rxn:4:195820:227491,Fc1c(-c2cnc(OC3CCC3)nc2)cnc(Cl)c1C1CC1,CAWAFXQQWLBNGY-UHFFFAOYSA-N
rxn:4:196475:222857,COc1cc(-c2ccc(-c3cc(F)cc(F)c3)nc2)cc(C2CCNCC2)c1,URDXMZHTXSXNRX-UHFFFAOYSA-N
rxn:4:196655:223200,c1cc(C2CCNC2)ccc1-c1ccc(N2CCCC2)cc1,XXYLHPONVQZQPH-UHFFFAOYSA-N
rxn:4:198199:222803,[O-][n+]1cc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)ccc1Cl,HJTDRXIUEDAOOZ-UHFFFAOYSA-N
rxn:4:198228:222803,Cc1nc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)ccc1Cl,FHGBPDOXGPMCKY-UHFFFAOYSA-N
rxn:4:198483:222803,Fc1cc2nc(Cl)sc2cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,KTFBSGGLEVJVEY-UHFFFAOYSA-N
rxn:4:199382:225674,O=C1CCCc2[nH]c3cc(-c4cnc(C5CCCCC5)cc4F)ccc3c21,AGBYWVKDNZCTGW-UHFFFAOYSA-N
rxn:4:201287:228761,COc1cc(-c2cnc(OCC(C)(F)F)c(C#N)c2)cnc1C,RWSOYTZHMKVQNE-UHFFFAOYSA-N
rxn:4:202978:226882,O=C([O-])[CH+]C=Cc1ncc(-c2ccc(C(F)(F)F)c(F)c2F)cn1,ACJUWGZNWDAXKQ-UHFFFAOYSA-N
rxn:4:203190:223014,COC(=O)c1cccc2[nH]c(-c3cnc(OCC4CC(F)(F)C4)nc3)cc12,WDPFWWQESVUEMU-UHFFFAOYSA-N
rxn:4:203190:227704,COc1cnc(C(F)F)cc1-c1cnc(OCC2CC(F)(F)C2)nc1,RLBFTXDLYRRZJU-UHFFFAOYSA-N
rxn:4:204092:224049,CCc1cc(OCc2ccccc2)ccc1-c1ccc(CN2CCC(N(C)C)CC2)c(C)c1,NQFXTLHIPXGZJQ-UHFFFAOYSA-N
rxn:4:204968:223005,N#Cc1c(C(F)(F)F)nsc1-c1ccc(C2CCNCC2)c(Cl)c1,LZDUDVPLEAMCIB-UHFFFAOYSA-N
rxn:4:205037:223123,CC(C)C(=O)Nc1ccc(-c2cc([N+](=O)[O-])cc(F)c2C#N)cc1,MEYROAGTORQAMT-UHFFFAOYSA-N
rxn:4:205689:226155,CC(=O)c1cc(-c2cnc(OC3CCOC3)nc2Cl)cc(C2CC2)c1,FKUWEQVXIRUDBS-UHFFFAOYSA-N
rxn:4:209436:223312,Cc1nc(N2CCCC2)sc1-c1ccc(C2CNC2)cc1,JXJRQVZQSAVQRN-UHFFFAOYSA-N
rxn:4:209751:223312,Cc1cc(-c2ccc(C3CNC3)cc2)cnc1N1CCCC1,KKAFDKCTIPTSOY-UHFFFAOYSA-N
rxn:4:209807:223312,C[C@@H]1CCCC[C@H]1n1cc(-c2ccc(C3CNC3)cc2)cn1,LHIANSHVOYFNES-AUUYWEPGSA-N
rxn:4:209963:222437,O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)cc1,OKZXFRYORZXKGM-UHFFFAOYSA-N
rxn:4:209963:225674,O=[N+]([O-])c1cc(-c2cnc(C3CCCCC3)cc2F)c2[nH]ccc2c1,GKZVIULRFCBUKJ-UHFFFAOYSA-N
rxn:4:210027:225300,N#Cc1cnc2cc(-c3ccc(OC4CCOCC4)nc3F)ccc2c1Cl,PNNIZJHLSGGXHY-UHFFFAOYSA-N
rxn:4:211234:222803,Cc1nc(F)nc(F)c1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,YNGMLECMWAUUMQ-UHFFFAOYSA-N
rxn:4:217311:224867,O=[N+]([O-])c1cc(-c2ccc(OCC3CCCCC3)cc2)c2[nH]ncc2c1,VVIXJZBMSGMXGV-UHFFFAOYSA-N
rxn:4:177136:223200,CCOC(=O)c1ccc(-c2ccc(C3CCNC3)cc2)c(C)c1,BIUYNFUAPKYLSR-UHFFFAOYSA-N
rxn:4:178624:223240,FC(F)Oc1ccc(-c2ccc(C3CCNC3)nc2)cc1Cl,SBBCPBMSEMQDMK-UHFFFAOYSA-N
rxn:4:180886:223064,C#Cc1ccc(-c2ccc(C3CCNCC3)nc2F)cc1F,BDDTXLNYCNBGGB-UHFFFAOYSA-N
rxn:4:180945:223142,FC(F)c1ccc(-c2ccc(C3CCCNC3)nc2)c(Cl)c1,LXTICZLOOYTWHH-UHFFFAOYSA-N
rxn:4:181034:223200,Fc1c(C(F)(F)F)ccc(-c2ccc(C3CCNC3)cc2)c1Cl,CCSRMZSXNAILKC-UHFFFAOYSA-N
rxn:4:181259:223064,Fc1nc(C2CCNCC2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,AKMLRIWBXDJDQJ-UHFFFAOYSA-N
rxn:4:181299:223002,CCc1c(-c2ccc(C3CCNCC3)cc2F)ccc(F)c1F,SIRVCKHQSSLMDH-UHFFFAOYSA-N
rxn:4:181631:227794,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc2F)C1,IIJNUAYFBXVCFM-UHFFFAOYSA-N
rxn:4:182030:227794,O=C1CCC(c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)CC1,NKHLRDNLSDOPAF-UHFFFAOYSA-N
rxn:4:182360:228968,CSc1ncc(-c2ccc3c(c2)C(=O)CC(C2CCCOC2)O3)c(Cl)n1,AERQOLDQEXHLST-UHFFFAOYSA-N
rxn:4:182580:223062,Cc1ccc(-c2cnc(C3CCNCC3)cc2F)c(C)c1Cl,VBFLWNGUQFMQEV-UHFFFAOYSA-N
rxn:4:182937:225674,O=C1CCc2ccc(-c3cnc(C4CCCCC4)cc3F)cc2O1,HJEOYVXVDXFAHO-UHFFFAOYSA-N
rxn:4:186750:227731,O=C(c1cc(OC(F)F)cc(-c2cnc(-c3cscn3)nc2)c1)N1CCC(F)(F)C1,GDIWMZZREBNSKI-UHFFFAOYSA-N
rxn:4:188744:227952,COc1cc(-c2cc(C)c(C#N)cc2C)ccc1C=C[N+](=O)[O-],ZEWFCNMJARAJGG-UHFFFAOYSA-N
rxn:4:191381:223240,N#CC(F)(F)c1ccc(-c2ccc(C3CCNC3)nc2)cc1,XSZIAFQNLJKXLZ-UHFFFAOYSA-N
rxn:4:191601:223200,FC(F)(F)c1ccc(N=C=S)c(-c2ccc(C3CCNC3)cc2)c1,UFRIYGYEXRYVTL-UHFFFAOYSA-N
rxn:4:193267:226824,O=C(c1cc(Cl)c(-c2ccc(-c3nccs3)nc2F)cc1F)N1CCOCC1,NGGYUASTOFIDEZ-UHFFFAOYSA-N
rxn:4:194517:223165,CC(=O)Nc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)c(Cl)c1C,JGRVIFAAJVCYPE-UHFFFAOYSA-N
rxn:4:195071:225454,CN1CC=C(c2ccc(-c3cc(F)cc(N=C=S)c3)cc2)CC1,JUMPBJLYOKDWDZ-UHFFFAOYSA-N
rxn:4:195152:226446,Cc1nc(C2CCOC2)ccc1-c1cc(F)c(N=C=S)cc1F,KAQSNSGABADKMZ-UHFFFAOYSA-N
rxn:4:195163:223199,O=[N+]([O-])c1c(-c2cccc(C3CCNC3)c2)ccc(Cl)c1F,NKJVTKSHIZQTEI-UHFFFAOYSA-N
rxn:4:195207:223146,FC(F)(F)c1cc(Cl)c(-c2cccc(C3CNCCO3)c2)cn1,KDWLJYRLPSSGSY-UHFFFAOYSA-N
rxn:4:195249:222925,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1F,AJCHVWVTVJYOTQ-UHFFFAOYSA-N
rxn:4:195600:225799,Cc1cc(N=C=S)c(F)cc1-c1cncc(OC2CCOCC2)c1,YYZJSLGTONZVLR-UHFFFAOYSA-N
rxn:4:195607:225881,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc(C2CCOCC2)nc1F,FQDOJNUCDZDNAX-UHFFFAOYSA-N
rxn:4:195792:225806,Fc1cc(OC2CCCC2)ncc1-c1cncc(C2CC2)c1Cl,AVQXDYXRZDBLNU-UHFFFAOYSA-N
rxn:4:195803:223200,FC1(c2ncc(-c3ccc(C4CCNC4)cc3)s2)CCC1,HGACVFDMAUBPKW-UHFFFAOYSA-N
rxn:4:196120:223200,Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C2CCNC2)cc1,DSDVVUMGDYKMFS-UHFFFAOYSA-N
rxn:4:197703:223241,CC12CC(c3ccc(-c4cncc(C5CCNC5)c4)nc3)(C1)C2,NSVOYFAIJFCAET-UHFFFAOYSA-N
rxn:4:201294:227020,N#Cc1cc(-c2cncc(C#CC3CC3)c2)cnc1OCC1CC1,MDKJIFOIZPKYCX-UHFFFAOYSA-N
rxn:4:202978:225368,O=C([O-])[CH+]C=Cc1ncc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cn1,MLPOUWHJHOKJIE-UHFFFAOYSA-N
rxn:4:205022:223147,N#Cc1cc(-c2ccc(C3CNCCO3)cc2)cc([N+](=O)[O-])c1,RINLOFZVTNSMHA-UHFFFAOYSA-N
rxn:4:205064:223138,N#Cc1nc(C(F)(F)F)ccc1-c1ccnc(C2CCNCC2)c1,VXYGOLPNFTZJLX-UHFFFAOYSA-N
rxn:4:205403:226336,CCOc1ncc(-c2cc(C#N)c(C3CC3)cc2Cl)c(C)n1,OTPRHLCMXQYBMN-UHFFFAOYSA-N
rxn:4:205521:226340,N#Cc1cc(-c2cnc(OC3CCC3)nc2Cl)c(Cl)c(C2CC2)c1,LVMPQGNQUGCJGX-UHFFFAOYSA-N
rxn:4:206638:223312,N#Cc1cc(N2CCCC(F)(F)C2)ccc1-c1ccc(C2CNC2)cc1,VRFGNRLBGVNQCK-UHFFFAOYSA-N
rxn:4:208227:222803,COc1nc(Cl)cnc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,KKGPALPSDJSOJP-UHFFFAOYSA-N
rxn:4:209963:225770,O=[N+]([O-])c1cc(-c2c(F)cc(OCC3CC3)cc2F)c2[nH]ccc2c1,PQFQPBYSRZJWGF-UHFFFAOYSA-N
rxn:4:212149:225300,Cn1cnc2c(F)cc(-c3ccc(OC4CCOCC4)nc3F)cc21,GDKXWJDPDQOEBL-UHFFFAOYSA-N
rxn:4:217311:224853,CC1(C)CCC(c2ccc(-c3cc([N+](=O)[O-])cc4cn[nH]c34)cc2)CC1,SJJSMERKCTXCOX-UHFFFAOYSA-N
rxn:4:217340:224853,CC1(C)CCC(c2ccc(-c3cc([N+](=O)[O-])cc4nc[nH]c34)cc2)CC1,HPGRVNWDFBSFJR-UHFFFAOYSA-N
rxn:4:217340:225165,COc1cc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)ccc1N1CCOCC1,DSRCENFSPCSVEG-UHFFFAOYSA-N
rxn:4:176214:223241,CCC(C)COc1ccc2cc(-c3cncc(C4CCNC4)c3)ccc2c1,ADSLLMVHZIRUJY-UHFFFAOYSA-N
rxn:4:178919:223311,COC(=O)c1ccc(-c2cccc(C3CNC3)c2)c(F)c1F,KHFSNIHCTABYEE-UHFFFAOYSA-N
rxn:4:181038:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)cc(F)c1C(F)(F)F,CWYZOBZNRGBOPP-UHFFFAOYSA-N
rxn:4:181270:223064,CC(C)c1coc(-c2ccc(C3CCNCC3)nc2F)c1,YEJVTUYIYXUADN-UHFFFAOYSA-N
rxn:4:181646:227779,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])cc(F)c3F)c(F)c2)C1,DCEUPDLHGNLEBE-UHFFFAOYSA-N
rxn:4:181672:223142,Cc1cc(C2CC2)ccc1-c1ccc(C2CCCNC2)nc1,RWFZCNJSSLTQQP-UHFFFAOYSA-N
rxn:4:182462:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(F)c(Cl)c1F,JHDZTZQIQOHETN-UHFFFAOYSA-N
rxn:4:182887:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc2c(c1)CCC2,GOJKJFRMIPWIEQ-UHFFFAOYSA-N
rxn:4:183135:223200,CC1(C)Cc2ccc(-c3ccc(C4CCNC4)cc3)cc2O1,VBXSDVZDCBHSTG-UHFFFAOYSA-N
rxn:4:188101:223240,N#Cc1ccc(OC(F)F)c(F)c1-c1ccc(C2CCNC2)nc1,XEUFSFZFBBIIBI-UHFFFAOYSA-N
rxn:4:188150:223312,FC(F)(F)Oc1cc(-c2ccc(C3CNC3)cc2)ccc1N=C=S,QQMUVFJQAOMFPY-UHFFFAOYSA-N
rxn:4:188516:226336,CCCOc1ccc(-c2cc(C#N)c(C3CC3)cc2Cl)c(F)n1,YCKCHQIQOJWIDL-UHFFFAOYSA-N
rxn:4:191236:223000,N#CSc1cccc(-c2ccc(C3CCCNC3)c(F)c2)c1Cl,MNRNGLACSVHIJF-UHFFFAOYSA-N
rxn:4:191589:223200,O=[N+]([O-])c1cc(CF)c(F)cc1-c1ccc(C2CCNC2)cc1,WWYZUXOTWRYTNB-UHFFFAOYSA-N
rxn:4:192580:228129,COc1cc(C#N)ccc1-c1cnc(OC2CCSC2)c(F)c1,CEWZVKFPAMBKIL-UHFFFAOYSA-N
rxn:4:194579:222807,O=C(NC1CC1)c1cc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc([N+](=O)[O-])c1,ISDWUPYZQOTYKM-UHFFFAOYSA-N
rxn:4:195150:222998,Fc1cc(-c2c(F)cc(N=C=S)cc2F)cc(C2CCCNC2)c1,RHRFBSUWHKNVGL-UHFFFAOYSA-N
rxn:4:195155:225456,CN1CCC(c2ccc(-c3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)CC1,HLRLSYWAZMGOFN-UHFFFAOYSA-N
rxn:4:195163:223200,O=[N+]([O-])c1c(-c2ccc(C3CCNC3)cc2)ccc(Cl)c1F,XEXGULHWOGXPSR-UHFFFAOYSA-N
rxn:4:195186:223062,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(C3CCNCC3)cc2F)c1,NWZWTCVLPUOKAR-UHFFFAOYSA-N
rxn:4:195312:225674,COc1cncc(-c2cnc(C3CCCCC3)cc2F)c1Cl,AQNQGWLMBZYCGW-UHFFFAOYSA-N
rxn:4:195624:223002,Cc1cc(-c2ccc(C3CCNCC3)cc2F)cc([N+](=O)[O-])c1F,XCAKUVWGVBOMIC-UHFFFAOYSA-N
rxn:4:195633:227628,Cc1cc(Cl)c(-c2cnc(C3CCC3)nc2Cl)cc1[N+](=O)[O-],VOPYUZOGCWGNPG-UHFFFAOYSA-N
rxn:4:195771:225201,COc1cc(C)c(-c2ccc(OC3CCCC3)c(F)c2F)cn1,MTULRNJFILIIQB-UHFFFAOYSA-N
rxn:4:196684:223307,Fc1cc(-c2ccc3c(c2)CCNC3)ccc1N1CCCC1,PFFOJVYLVBFHKY-UHFFFAOYSA-N
rxn:4:196866:228340,COc1nc(C2CC2)sc1-c1ccc(C2CCCOC2)nc1F,NVMZGFZVMQRPQY-UHFFFAOYSA-N
rxn:4:197020:227988,Cc1nc(C2CCCOC2)ccc1-c1cccc(C2CC2)c1F,DDZMQFPKXGVRCC-UHFFFAOYSA-N
rxn:4:203190:223268,CNC(=O)c1cc(Cl)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,SOLIDMFMDBBGCU-UHFFFAOYSA-N
rxn:4:203190:223307,FC1(F)CC(COc2ncc(-c3ccc4c(c3)CCNC4)cn2)C1,MGQAYIGZGFWVCV-UHFFFAOYSA-N
rxn:4:205031:226432,N#Cc1cc([N+](=O)[O-])ccc1-c1ccc(C2CCCC2)nc1F,ATNBHNZOMKHEJF-UHFFFAOYSA-N
rxn:4:205036:226382,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1cnc(C2CCCCC2)nc1,ZTSIERRTBUWPSU-UHFFFAOYSA-N
rxn:4:205036:226432,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCCC2)nc1F,VJIPLZZQSNANIC-UHFFFAOYSA-N
rxn:4:205045:225806,N#Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCCC3)cc2F)c1F,ULMUSYRXLFWWLH-UHFFFAOYSA-N
rxn:4:205106:225201,COc1cc(-c2ccc(OC3CCCC3)c(F)c2F)c(C#N)cn1,RQZJFTCRPCDBRT-UHFFFAOYSA-N
rxn:4:205505:226587,CN(C)c1cc(C#N)cc(-c2cnc(OC3CCC3)cc2F)c1,JBKFJZKBGJQBEF-UHFFFAOYSA-N
rxn:4:205647:228208,Cc1nc(OC2COC2)ncc1-c1cc(C2CC2)cnc1Cl,LWRGBGDMPLQTAS-UHFFFAOYSA-N
rxn:4:208261:225182,C#Cc1ncc(-c2ccnc(OC3CCCCC3)c2Cl)c(C)n1,PVOAWQASNOZNHH-UHFFFAOYSA-N
rxn:4:208261:226428,C#Cc1ncc(-c2cc(N3CCCCC3C)cs2)c(C)n1,COEYEVNVGGSMNH-UHFFFAOYSA-N
rxn:4:208321:222803,Cc1cc(C#N)nc(Cl)c1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,HHRLQNFKPXZKOW-UHFFFAOYSA-N
rxn:4:210433:225677,CCn1cnc2cc(-c3ccc(C4CCCCC4)nc3F)c(F)cc21,GNIIINGQFCUYKO-UHFFFAOYSA-N
rxn:4:210444:225300,CCn1cnc2cc(-c3ccc(OC4CCOCC4)nc3F)c(F)c(F)c21,SAQIXDSPONTBPZ-UHFFFAOYSA-N
rxn:4:215320:225688,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(C2CCCCC2)c(Cl)c1,BIRCCPCZELGZME-UHFFFAOYSA-N
rxn:4:215320:226432,N#Cc1ncc([N+](=O)[O-])cc1-c1ccc(C2CCCC2)nc1F,JUAIHMGMCAHOOU-UHFFFAOYSA-N
rxn:4:224035:206901,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCCN(C)CC4)o3)cc2)CC1,JBXUEEQTLUGSIS-YHBQERECSA-N
rxn:4:173504:223200,CCCCCOc1ccc(-c2ccc(-c3ccc(C4CCNC4)cc3)cc2)cc1,NMWAQAKKJGRUOL-UHFFFAOYSA-N
rxn:4:177353:223312,Cc1cc(OCC(C)(F)F)ccc1-c1ccc(C2CNC2)cc1,HUXZXZJSOMFJSF-UHFFFAOYSA-N
rxn:4:179388:225881,CSc1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C(C)=O,WWWNDZLGJGKQRP-UHFFFAOYSA-N
rxn:4:179597:223200,CC(C)Oc1cc(-c2ccc(C3CCNC3)cc2)cc(F)c1F,FGILBYJKXGEJHF-UHFFFAOYSA-N
rxn:4:179669:223200,c1cc(-c2ccc(C3CCNC3)cc2)ccc1OC1CCC1,IQWIYVZSQKCDOV-UHFFFAOYSA-N
rxn:4:180960:223130,OC1CN(Cc2ccc(-c3cccc(C(F)F)c3F)cc2)C1,WRKLJMLENHNLBA-UHFFFAOYSA-N
rxn:4:180997:223062,Fc1cc(C(F)(F)F)ccc1-c1cnc(C2CCNCC2)cc1F,RXYDLYVGSNLGQR-UHFFFAOYSA-N
rxn:4:181020:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(Cl)c(C(F)(F)F)cc1F,WZLJCDLRLIHVKK-UHFFFAOYSA-N
rxn:4:181646:226327,N#CC1(c2ccc(-c3ccc(C4CC(=O)C4)cc3F)c(Cl)c2)CC1,NSWGLVCGSRKTSX-UHFFFAOYSA-N
rxn:4:181646:227051,CCC(=O)c1ccc(-c2ccc(C3CC(=O)C3)cc2F)c(C)c1,CURKMRUWYUVSKD-UHFFFAOYSA-N
rxn:4:181646:227497,Cc1nc(OC(C)C)ncc1-c1ccc(C2CC(=O)C2)cc1F,LLLYYIYWFURPIC-UHFFFAOYSA-N
rxn:4:181646:228207,O=C1CC(c2ccc(-c3cc(C4CC4)cnc3F)c(F)c2)C1,XZVAFJAENXQEEI-UHFFFAOYSA-N
rxn:4:181646:228208,O=C1CC(c2ccc(-c3cc(C4CC4)cnc3Cl)c(F)c2)C1,VGHWGWGJDXPNCM-UHFFFAOYSA-N
rxn:4:181646:228331,CCOc1nccc(-c2ccc(C3CC(=O)C3)cc2F)c1Cl,WVNGJOOAMYBXLL-UHFFFAOYSA-N
rxn:4:181646:228470,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)c(F)c2)C1,YMMKWVIXYQFMRS-UHFFFAOYSA-N
rxn:4:181706:223280,FC1CC(c2ccc(-c3cnc(C4CCNC4)nc3)cc2)C1,CVRCOGBYCZGCGH-UHFFFAOYSA-N
rxn:4:181921:223311,Fc1cc(-c2cccc(C3CNC3)c2)ccc1C1COCCO1,IEOVHYHBSWARDB-UHFFFAOYSA-N
rxn:4:185993:223200,CC(F)(F)COc1ccc(-c2ccc(C3CCNC3)cc2)cc1C#N,OIJWCLOSNNGAAN-UHFFFAOYSA-N
rxn:4:187252:223200,Fc1ccc(-c2ccc(C3CCNC3)cc2)cc1CCN1CCC(C(F)(F)F)CC1,SSFZRGOGJNNVHJ-UHFFFAOYSA-N
rxn:4:188461:224386,COC(=O)c1cc([N+](=O)[O-])cc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)c1Cl,XEZFPVRZLYOCIS-UHFFFAOYSA-N
rxn:4:188746:228327,COc1cc(-c2ccc(OCC3CC3(F)F)cn2)cnc1OC,KAXONELZJHBUQR-UHFFFAOYSA-N
rxn:4:190250:223200,CN(C)Cc1cc(-c2ccc(C3CCNC3)cc2)cc(C(C)(C)C)c1,GTJGGNVGWIXETO-UHFFFAOYSA-N
rxn:4:191376:223197,C#Cc1cc(-c2ccc(CNC3CC3)cc2)cc([N+](=O)[O-])c1,ISHWVPMYNNCELT-UHFFFAOYSA-N
rxn:4:191603:223199,FC(F)(F)c1cc(N=C=S)ccc1-c1cccc(C2CCNC2)c1,MWSBGFQONOWEHC-UHFFFAOYSA-N
rxn:4:191828:223241,COc1nc(C(F)(F)F)ccc1-c1cncc(C2CCNC2)c1,HMQXTYZBIAEHPE-UHFFFAOYSA-N
rxn:4:193712:223241,O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(-c2cncc(C3CCNC3)c2)cc1,OFPFJFLSBQOZRW-UHFFFAOYSA-N
rxn:4:194517:226946,CN1CCc2cc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)ccc2C1,KRUPPUYFONKTJK-UHFFFAOYSA-N
rxn:4:194582:223306,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc5c(c4)CNCC5)cc3)cc2c1,QAVJLUGQYUIVKS-UHFFFAOYSA-N
rxn:4:195062:225923,S=C=Nc1ccc(-c2cnc(OC3CCCC3)nc2Cl)c(Cl)c1,DGZJILFDZWCCHG-UHFFFAOYSA-N
rxn:4:195141:223147,FC(F)(F)c1cncc(-c2ccc(C3CNCCO3)cc2)c1,GENGLPSOUBYDNP-UHFFFAOYSA-N
rxn:4:195146:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(N=C=S)c(F)c1Cl,CTOQIZAXPHCTNP-UHFFFAOYSA-N
rxn:4:195153:223065,O=[N+]([O-])c1cc(-c2ccc(N3CCNCC3)cc2F)c(F)cc1Cl,MGCWDEOVBKWQJX-UHFFFAOYSA-N
rxn:4:195157:225677,O=[N+]([O-])c1cc(-c2ccc(C3CCCCC3)nc2F)cc(Cl)c1F,ZNDDNNVPVBJMBE-UHFFFAOYSA-N
rxn:4:195616:222991,Cc1c(F)cc(-c2ccc(N3CCCC(O)C3)cc2)cc1[N+](=O)[O-],CALJSGISNJXVHG-UHFFFAOYSA-N
rxn:4:195643:226278,Cc1cc([N+](=O)[O-])cc(-c2ccc(OCC(C)C)nc2C)c1F,WXNIJSKXZBGVQB-UHFFFAOYSA-N
rxn:4:195704:225601,Cc1c(F)c(-c2ccc(C3(C#N)CCC3)cc2F)cc([N+](=O)[O-])c1F,IYJDXZZPDPSKRV-UHFFFAOYSA-N
rxn:4:198255:225201,Cc1cc(F)ncc1-c1ccc(OC2CCCC2)c(F)c1F,HRGWREXWWBYYFX-UHFFFAOYSA-N
rxn:4:202946:226155,CCOC(=O)c1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)c(Cl)n1,BLMJEPVAUATQFJ-UHFFFAOYSA-N
rxn:4:202969:226067,NOCc1ccc([N+](=O)[O-])cc1-c1ccc(C2=CCCCC2)cc1,SQKULUWAHGYRHW-UHFFFAOYSA-N
rxn:4:203017:226155,CC(=O)c1cc(-c2cnc(OCC3CC3)nc2)cc(C2CC2)c1,UUGFTXXUGLCLBN-UHFFFAOYSA-N
rxn:4:203190:222998,Fc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C2CCCNC2)c1,KNUDJQQHJSTTAL-UHFFFAOYSA-N
rxn:4:203190:227460,Cn1cnc2cc(-c3cnc(OCC4CC(F)(F)C4)nc3)c(F)cc21,FZDFHHAGSFAFBH-UHFFFAOYSA-N
rxn:4:205660:228221,Fc1cc(-c2cnc(OC3CCSC3)nc2)cc(C2CC2)n1,UIIKJCDILHXDEI-UHFFFAOYSA-N
rxn:4:208301:225601,Cc1cc(C#N)ncc1-c1ccc(C2(C#N)CCC2)cc1F,MMUYVGRZDIGFIH-UHFFFAOYSA-N
rxn:4:176333:223241,C#CCOc1ccc(-c2cncc(C3CCNC3)c2)c(F)c1,QNDPQCIHEMCBNK-UHFFFAOYSA-N
rxn:4:176584:223200,CCOC(=O)c1ccc(-c2ccc(C3CCNC3)cc2)c(Cl)c1,WSLIHNHKJGZACU-UHFFFAOYSA-N
rxn:4:177112:223312,COC(=O)C(C)c1cccc(-c2ccc(C3CNC3)cc2)c1,DMJRIWKMTISYLV-UHFFFAOYSA-N
rxn:4:179212:223200,CCC(=O)c1ccc(F)c(-c2ccc(C3CCNC3)cc2)c1,UNLOQRJJTLRUSY-UHFFFAOYSA-N
rxn:4:180875:223065,C#Cc1ccc(-c2ccc(N3CCNCC3)cc2F)c(Cl)c1,KTVJHVFSMIDIII-UHFFFAOYSA-N
rxn:4:180997:223139,Fc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNCC2)nc1,HULPLQQIESQPMA-UHFFFAOYSA-N
rxn:4:181218:225653,CC(=O)c1cc(F)cc(-c2ccc(N3CCCCC3C)nc2)c1,FGJPOOSHVFXZTI-UHFFFAOYSA-N
rxn:4:181520:223000,CC(=O)c1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(C)c1,ZHQBEWXEVMCQQW-UHFFFAOYSA-N
rxn:4:181550:227794,CC(=O)c1cc(C)c(Cl)c(-c2cc([N+](=O)[O-])cc(Cl)c2F)c1,NHVDGTIBHCVMCZ-UHFFFAOYSA-N
rxn:4:181646:226331,N#CC1(c2ccc(-c3ccc(C4CC(=O)C4)cc3F)c(F)c2)CC1,LIVKKWZBTIEFHC-UHFFFAOYSA-N
rxn:4:181646:228271,COc1cc(C)c(-c2ccc(C3CC(=O)C3)cc2F)cc1F,HLFBWAOPOMKLKZ-UHFFFAOYSA-N
rxn:4:182565:223147,Cc1c(F)c(F)cc(-c2ccc(C3CNCCO3)cc2)c1F,FNFWEBWMCBKYIX-UHFFFAOYSA-N
rxn:4:182629:223002,O=C1CCc2sc(-c3ccc(C4CCNCC4)cc3F)cc21,UQGWNZSFWGTXAH-UHFFFAOYSA-N
rxn:4:191524:223241,FC(F)(F)Cc1ccc(-c2cncc(C3CCNC3)c2)cn1,MPDFPHKOFQACFD-UHFFFAOYSA-N
rxn:4:191728:223200,Cc1cc(OC(F)F)cnc1-c1ccc(C2CCNC2)cc1,PTHBLGCPKQUSNN-UHFFFAOYSA-N
rxn:4:191828:223240,COc1nc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)nc1,FVUJNMCDIFQDPD-UHFFFAOYSA-N
rxn:4:195161:225456,CN1CCC(c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)CC1,WZMULKOMGZDBRJ-UHFFFAOYSA-N
rxn:4:195632:226327,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3(C#N)CC3)cc2Cl)c1Cl,IPSLQYHHDTUYSP-UHFFFAOYSA-N
rxn:4:195704:222482,Cc1ccc(NC(=O)c2ccc(-c3cc([N+](=O)[O-])c(F)c(C)c3F)cc2F)c(C)c1,SLSYUMMVNCPGGR-UHFFFAOYSA-N
rxn:4:195820:227502,CC(C)Oc1ncc(-c2cnc(Cl)c(C3CC3)c2F)cc1Cl,NZGWGKGRQHJOOZ-UHFFFAOYSA-N
rxn:4:196644:223200,c1cc(C2CCCC2)cc(-c2ccc(C3CCNC3)cc2)n1,KEQOKDMNRNMHPW-UHFFFAOYSA-N
rxn:4:196839:227961,Cc1nc(C2CC2)ccc1-c1ccc(C2=CCCCC2)nc1,HZMWDKHYUIMWBT-UHFFFAOYSA-N
rxn:4:197711:226134,Cc1c(-c2ccc(C34CC(C)(C3)C4)nc2)cc(C#N)cc1C1CC1,PVCLLRBYFSPPRA-UHFFFAOYSA-N
rxn:4:198482:222803,Fc1cc2oc(Cl)nc2cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,OPOBIBSXKZWEOK-UHFFFAOYSA-N
rxn:4:201295:227860,CN1CCc2cc(-c3ccc(OCC4CC4)nc3C#N)ccc21,ICLFAEJWUKZSQR-UHFFFAOYSA-N
rxn:4:202978:227746,O=C([O-])[CH+]C=Cc1ncc(-c2cccc(C(F)(F)F)c2F)cn1,NWZXSLNRELSKAF-UHFFFAOYSA-N
rxn:4:202978:228972,O=C([O-])[CH+]C=Cc1ncc(-c2cc(C(F)(F)F)cs2)cn1,UPYYYNMCIWMWAG-UHFFFAOYSA-N
rxn:4:203154:223014,COC(=O)c1cccc2[nH]c(-c3cnc(OCC4CCC4)nc3)cc12,GCGCSQPDDQRCOW-UHFFFAOYSA-N
rxn:4:203190:226204,COc1nc2ccccc2cc1-c1cnc(OCC2CC(F)(F)C2)nc1,MMVQVWDHXSRVKM-UHFFFAOYSA-N
rxn:4:205034:225881,N#Cc1c(Cl)cc(-c2ccc(C3CCOCC3)nc2F)cc1[N+](=O)[O-],XWPKEHISMNYBBW-UHFFFAOYSA-N
rxn:4:205034:226432,N#Cc1c(Cl)cc(-c2ccc(C3CCCC3)nc2F)cc1[N+](=O)[O-],WOBQZZPMQROIIT-UHFFFAOYSA-N
rxn:4:205394:226336,CC(C)Oc1ccc(-c2cc(C#N)c(C3CC3)cc2Cl)nn1,PFTUGBOUEDTPNH-UHFFFAOYSA-N
rxn:4:205660:227964,CC1(c2cncc(-c3cnc(OC4CCSC4)nc3)c2)CC1,AKQFLMHWWMFXFR-UHFFFAOYSA-N
rxn:4:205979:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)cn1,BLIOZEPKBWTXSH-UHFFFAOYSA-N
rxn:4:208115:225883,S=C=Nc1ccc(-c2cnc(C3CCOCC3)c(Cl)c2)nc1,SFYKHZVYNNNPGV-UHFFFAOYSA-N
rxn:4:208994:226085,Cc1nc(C2CC2)ncc1-c1ccc2c(c1)CCC(C)(C)O2,VVDOSKXHZLXYAO-UHFFFAOYSA-N
rxn:4:209090:223200,FC1(F)CN(c2ccc(-c3ccc(C4CCNC4)cc3)cn2)C1,LZHGLKCVBPNXAF-UHFFFAOYSA-N
rxn:4:209693:225320,Cc1nc(-c2ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc2)[nH]c1C,MYZMTQXDESPNLA-UHFFFAOYSA-N
rxn:4:217545:225536,Cc1c([N+](=O)[O-])cc(-c2ccc(OCC(C)C)c(C#N)c2)c2[nH]ncc12,XGYUFPCCTFNOIE-UHFFFAOYSA-N
rxn:4:217545:225688,Cc1c([N+](=O)[O-])cc(-c2cnc(C3CCCCC3)c(Cl)c2)c2[nH]ncc12,HIRSJRZXLAPFFY-UHFFFAOYSA-N
rxn:4:174491:223200,CC1(C)COC(CCCC(=O)c2ccc(-c3ccc(C4CCNC4)cc3)cc2)OC1,UTCDIGYXEIWWRE-UHFFFAOYSA-N
rxn:4:175669:223312,COc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc(C2CNC2)cc1,RMVSHIHTTNRHRK-UHFFFAOYSA-N
rxn:4:177484:223360,CNCc1cccc(-c2ccc(OCC3CC(F)(F)C3)cc2)c1F,MSAVYDQXZDAKRE-UHFFFAOYSA-N
rxn:4:177689:223200,CC(C)CCc1ccc(F)c(-c2ccc(C3CCNC3)cc2)c1,APTSTCVEYLBMLP-UHFFFAOYSA-N
rxn:4:178640:223065,Fc1cc(OC(F)F)ccc1-c1ccc(N2CCNCC2)cc1F,QRECTLIKFWGWQA-UHFFFAOYSA-N
rxn:4:178702:228097,CN(C)Cc1cncc(-c2c(F)cc(OC(F)(F)F)cc2F)c1,CEYREGVZMXLKNI-UHFFFAOYSA-N
rxn:4:179033:226327,Cc1cc(OC(F)F)ccc1-c1ccc(C2(C#N)CC2)cc1Cl,VQYYEPRERCBQQH-UHFFFAOYSA-N
rxn:4:180052:222983,OC1CCN(Cc2cccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2)C1,BQGWEXFEHZDMQC-UHFFFAOYSA-N
rxn:4:180887:225456,C#Cc1ccc(-c2ccc(C3CCN(C)CC3)cc2)c(F)c1,GDNGMJXPERZHPH-UHFFFAOYSA-N
rxn:4:180945:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(C(F)F)cc1Cl,ULKYBRMSLUJBPU-UHFFFAOYSA-N
rxn:4:181034:223130,OC1CN(Cc2ccc(-c3ccc(C(F)(F)F)c(F)c3Cl)cc2)C1,UNNBBMXUKJAORG-UHFFFAOYSA-N
rxn:4:181646:227470,CCCOc1ncc(-c2ccc(C3CC(=O)C3)cc2F)c(C)n1,YCLUPRWLJUDXFP-UHFFFAOYSA-N
rxn:4:181646:228473,O=C1CC(c2ccc(-c3cc([N+](=O)[O-])ccc3F)c(F)c2)C1,PBIPZPRPTVUVRS-UHFFFAOYSA-N
rxn:4:181716:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)cc(C2CC2(F)F)c1,DLRSPGNMCOHNEA-UHFFFAOYSA-N
rxn:4:181768:226327,N#CC1(c2ccc(-c3ccc(C4=CC(=O)C=CC4=O)cc3)c(Cl)c2)CC1,ZSQLUWZFZATHLD-UHFFFAOYSA-N
rxn:4:181888:223312,C1=C(c2cccc(-c3ccc(C4CNC4)cc3)c2)CCOC1,MHRIXLYGNFRZBC-UHFFFAOYSA-N
rxn:4:182019:226327,N#CC1(c2ccc(-c3ccc(C4CC(=O)CC(=O)C4)cc3)c(Cl)c2)CC1,ORAMJCNHKPGSIM-UHFFFAOYSA-N
rxn:4:182451:222849,N#Cc1cc(-c2ccc(Cl)c(F)c2)ccc1C1CCNCC1,PNPLGOUSFIZYMR-UHFFFAOYSA-N
rxn:4:184393:225835,COC(=O)Cc1ccc(C#N)c(-c2cnc(-c3ccc(F)cc3)nc2)c1C(F)F,GDZUFMLKVUTRQG-UHFFFAOYSA-N
rxn:4:188153:223200,FC(F)(F)Oc1ccc(-c2ccc(C3CCNC3)cc2)c(N=C=S)c1,SMIBFFKSIKHVKB-UHFFFAOYSA-N
rxn:4:188640:223002,Cc1cc(OCC(F)(F)F)ncc1-c1ccc(C2CCNCC2)cc1F,SZQQFMSEPOZEQF-UHFFFAOYSA-N
rxn:4:189246:227798,CN(C)CCc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2F)c(F)c1,UPRROTGSEGZFFC-UHFFFAOYSA-N
rxn:4:194579:223221,CC(=O)NCc1cccc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1,MXRIHDCLCBXNMQ-UHFFFAOYSA-N
rxn:4:195062:223007,Fc1cc(-c2ccc(N=C=S)cc2Cl)cc(C2CCNCC2)c1,QKOUPJDACKSVBY-UHFFFAOYSA-N
rxn:4:195244:223000,Fc1cc(-c2cnc(C(F)(F)F)c(Cl)c2)ccc1C1CCCNC1,LZKIHFQLWULLRD-UHFFFAOYSA-N
rxn:4:195642:222803,Cc1cc(F)c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1[N+](=O)[O-],XRBLRTREUKSPFE-UHFFFAOYSA-N
rxn:4:195792:225201,Fc1c(OC2CCCC2)ccc(-c2cncc(C3CC3)c2Cl)c1F,XLPONWBAWQFZFJ-UHFFFAOYSA-N
rxn:4:195862:226444,Cc1nc(C2CCCO2)ccc1-c1cncc(C2CC2(F)F)c1,KTMTXVXRHRNTGU-UHFFFAOYSA-N
rxn:4:196285:227458,CN1CCOc2cc(-c3cncc(C4(C)CC4(F)F)c3)cnc21,NEZUSYDAQYEIIV-UHFFFAOYSA-N
rxn:4:196952:227798,CN1CCCC1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2F)cc1,OYCNVJFZDHNLFG-UHFFFAOYSA-N
rxn:4:197279:223240,FC(F)(F)c1cc(Cl)nc2ccc(-c3ccc(C4CCNC4)nc3)cc12,OULAULIAMVPNOZ-UHFFFAOYSA-N
rxn:4:199373:227793,O=C1CCc2cc(-c3cc([N+](=O)[O-])c(Cl)cc3F)cc3c2N1CC3,WEIQEHUGWNJRES-UHFFFAOYSA-N
rxn:4:206043:228423,COc1c(-c2cnc(C#C[Si](C)(C)C)cn2)ccc(Cl)c1F,HLMBVDVVZVGNKH-UHFFFAOYSA-N
rxn:4:207613:224619,Fc1cc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)ccc1OCCN1CCCC1,NCIGMBNTAXPWQW-UHFFFAOYSA-N
rxn:4:209963:225679,O=[N+]([O-])c1cc(-c2ccc(N3CCCCC3)cc2F)c2[nH]ccc2c1,AWMBZKZXUCTJDU-UHFFFAOYSA-N
rxn:4:210254:225674,N#Cc1cc[n+]([O-])c2cc(-c3cnc(C4CCCCC4)cc3F)ccc12,DSMQKHLLTDBGCC-UHFFFAOYSA-N
rxn:4:217244:225201,N#Cc1c[nH]c2c(-c3ccc(OC4CCCC4)c(F)c3F)ccnc12,IGRQIPWWBXXKOJ-UHFFFAOYSA-N
rxn:4:217311:224705,CC1CCN(c2ccc(-c3cc([N+](=O)[O-])cc4cn[nH]c34)c(F)c2F)CC1,NCUFRRDZHACNOL-UHFFFAOYSA-N
rxn:4:175939:223406,COc1cc(COC2CCCCO2)ccc1-c1cncc2cc[nH]c12,OZHZNXWDQFNGDQ-UHFFFAOYSA-N
rxn:4:176158:223311,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C4CNC4)c3)cc2)CC1,YMMVXSMFSIYWRA-MXVIHJGJSA-N
rxn:4:179124:223200,COc1c(C(F)(F)F)ccc(-c2ccc(C3CCNC3)cc2)c1F,IUGGMGLBCKTVPW-UHFFFAOYSA-N
rxn:4:179653:223241,FS(F)(F)(F)(F)c1cc(-c2cncc(C3CCNC3)c2)cc(S(F)(F)(F)(F)F)c1,OACNRUKPEVUARY-UHFFFAOYSA-N
rxn:4:179725:223240,COc1cc(-c2ccc(C3CCNC3)nc2)cc(C2CC2(F)F)c1,FVMJMICVZVLAQA-UHFFFAOYSA-N
rxn:4:180871:223059,C#Cc1cc(-c2ccc(N3CCNCC3)cc2Cl)c(C)o1,IIAMOZPBNULUCS-UHFFFAOYSA-N
rxn:4:181447:226327,COc1cc(C)c(-c2ccc(C3(C#N)CC3)cc2Cl)cc1F,BXJDFXYNYDISKY-UHFFFAOYSA-N
rxn:4:181532:223004,CC1(c2ccc(F)c(-c3ccc(C4CCNCC4)c(F)c3)c2)CO1,NJUYRFVMZVJZPD-UHFFFAOYSA-N
rxn:4:181640:223312,Fc1cc(-c2ccc(C3CNC3)cc2)cc(C2OCCO2)c1,YZEQOYWIQIPTKA-UHFFFAOYSA-N
rxn:4:181646:228418,COc1c(F)cc(-c2ccc(C3CC(=O)C3)cc2F)cc1Cl,YODYZWFINCUURW-UHFFFAOYSA-N
rxn:4:181899:226327,CC1(c2ccc(-c3ccc(C4(C#N)CC4)cc3Cl)cc2)CC(=O)C1,DBMBNYQZRCTXRJ-UHFFFAOYSA-N
rxn:4:182107:223312,CC1(C)CCC(c2ccc(-c3ccc(C4CNC4)cc3)cc2)CC1,RKUFGQRCPPOIAT-UHFFFAOYSA-N
rxn:4:182467:223002,Fc1cc(Cl)c(-c2ccc(C3CCNCC3)cc2F)cc1F,GYDKXTZNPHDPPU-UHFFFAOYSA-N
rxn:4:182526:223065,Cc1cc(Cl)c(F)cc1-c1ccc(N2CCNCC2)cc1F,NUOMPDCGMJDXNP-UHFFFAOYSA-N
rxn:4:182527:223065,Cc1cc(F)c(Cl)cc1-c1ccc(N2CCNCC2)cc1F,RURFLFPKLPOFCR-UHFFFAOYSA-N
rxn:4:182737:223000,Fc1cc(-c2cc3c(cc2Cl)CCO3)ccc1C1CCCNC1,QQHMQCPXFIRRBM-UHFFFAOYSA-N
rxn:4:188693:226336,CCOC(=O)c1c[nH]c(-c2cc(C#N)c(C3CC3)cc2Cl)c1C,MGAWULWXGRJUEY-UHFFFAOYSA-N
rxn:4:188721:223147,Clc1ncc(-c2ccc(C3CNCCO3)cc2)cc1OCC1CC1,AFLMZYOTFOWVRQ-UHFFFAOYSA-N
rxn:4:189543:224331,COC1CN(Cc2cc(F)cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)nc3)c2)C1,ZOUMWZBBQJRPGZ-UHFFFAOYSA-N
rxn:4:189785:225314,COc1c(-c2cnc(-c3ccc(F)cc3)nc2Cl)cc([N+](=O)[O-])cc1C(C)(C)C,MXACZOWRSNYXBH-UHFFFAOYSA-N
rxn:4:191425:223241,N#Cc1c(-c2cncc(C3CCNC3)c2)ccc(C(F)(F)F)c1F,VDWMFNQDCFPRMT-UHFFFAOYSA-N
rxn:4:192115:223200,Cc1cc(-c2ccc(C3CCNC3)cc2)c([N+](=O)[O-])cc1C(F)(F)F,DIDKVFHBPQCEFX-UHFFFAOYSA-N
rxn:4:195151:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(N=C=S)c(F)c1F,CRTRWDHSFAQPEY-UHFFFAOYSA-N
rxn:4:195151:223007,Fc1cc(-c2ccc(N=C=S)c(F)c2F)cc(C2CCNCC2)c1,CLKPHRONUJBAQS-UHFFFAOYSA-N
rxn:4:195201:223147,FC(F)(F)c1cc(-c2ccc(C3CNCCO3)cc2)ncc1Cl,NVCQWQVJZJPQCA-UHFFFAOYSA-N
rxn:4:195315:222925,COc1cc(Cl)ncc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,AFQBCEPDHOAJTD-UHFFFAOYSA-N
rxn:4:195543:223147,Cc1ccc(-c2ccc(C3CNCCO3)cc2)cc1[N+](=O)[O-],YGSKUARDPJJRJG-UHFFFAOYSA-N
rxn:4:196009:226572,CC(=O)c1cc(C)nc(-c2cnc(OC3CCCC3)nc2)c1,LTZPKIXBJAMXKG-UHFFFAOYSA-N
rxn:4:196241:223199,Clc1cc(C2CCC2)ncc1-c1cccc(C2CCNC2)c1,KZPCHXVBNJBLJB-UHFFFAOYSA-N
rxn:4:196477:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(-c3ccc(F)c(F)c3)nc2)cc([N+](=O)[O-])c1,KEERTKBHYXZYDM-UHFFFAOYSA-N
rxn:4:196510:226444,Cc1nc(C2COC2)ccc1-c1ccc(C2CCCO2)nc1C,RUQGXWHYEBSGAC-UHFFFAOYSA-N
rxn:4:196616:228207,Fc1ncc(C2CC2)cc1-c1ccc(C2COCCO2)nc1F,BFENDQMOOXSKDU-UHFFFAOYSA-N
rxn:4:196954:226890,CN1CCC(c2ccc(-c3cc(F)c(C(F)(F)F)cc3Cl)cc2)C1,YHVVHAQVYVEPJI-UHFFFAOYSA-N
rxn:4:203190:223340,FC1(F)CC(COc2ncc(-c3ccc4c(c3)NCCO4)cn2)C1,FPGKYNMSSFAODC-UHFFFAOYSA-N
rxn:4:203190:228382,COc1nc(C)c(Cl)cc1-c1cnc(OCC2CC(F)(F)C2)nc1,CCHQAYDMEDKOLU-UHFFFAOYSA-N
rxn:4:203190:229128,Cc1ncc(Cl)cc1-c1cnc(OCC2CC(F)(F)C2)nc1,RQPQHILELOJPEX-UHFFFAOYSA-N
rxn:4:205521:226329,N#CC1(c2ccc(-c3cnc(OC4CCC4)nc3Cl)cc2F)CC1,VAFDZTMOUQNXGH-UHFFFAOYSA-N
rxn:4:208245:223200,O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1-c1ccc(C2CCNC2)cc1,UJVTWWVCCOXPDW-UHFFFAOYSA-N
rxn:4:209963:225677,O=[N+]([O-])c1cc(-c2ccc(C3CCCCC3)nc2F)c2[nH]ccc2c1,UOFLZXXBQKPLOU-UHFFFAOYSA-N
rxn:4:176558:226327,N#CC1(c2ccc(-c3ccc(OC[C@@H]4CO4)cc3F)c(Cl)c2)CC1,FXOCAUQYWDGWHE-CQSZACIVSA-N
rxn:4:178620:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(SC(F)F)cc1,IARUMFQPLRGJOO-UHFFFAOYSA-N
rxn:4:179733:226476,CCCCOc1ncc(-c2cc(C(C)=O)cc(C(C)(F)F)c2)cc1Cl,SBHYSVQDZOCEHQ-UHFFFAOYSA-N
rxn:4:180877:223059,C#Cc1ccc(Cl)c(-c2ccc(N3CCNCC3)cc2Cl)c1,MREQVUJVCJLYIO-UHFFFAOYSA-N
rxn:4:180882:223065,C#Cc1cc(-c2ccc(N3CCNCC3)cc2F)ccc1Cl,OUWMQAMISIEUBR-UHFFFAOYSA-N
rxn:4:180883:223059,C#Cc1cccc(-c2ccc(N3CCNCC3)cc2Cl)c1Cl,WIMWKWIRLZNYHQ-UHFFFAOYSA-N
rxn:4:180886:223059,C#Cc1ccc(-c2ccc(N3CCNCC3)cc2Cl)cc1F,IXCGEKDCJNYWPC-UHFFFAOYSA-N
rxn:4:180887:223059,C#Cc1ccc(-c2ccc(N3CCNCC3)cc2Cl)c(F)c1,CIQJZBOMZQGXSA-UHFFFAOYSA-N
rxn:4:180891:223059,C#Cc1ccc(F)c(-c2ccc(N3CCNCC3)cc2Cl)c1,DSQLXBKUZVEVET-UHFFFAOYSA-N
rxn:4:181721:222978,O=C(NC1CCC1)c1ccc(-c2ccc(C3CC(F)(F)C3)cc2)cc1,XIGSWOXJPFRWHB-UHFFFAOYSA-N
rxn:4:182539:223004,Cc1c(-c2ccc(C3CCNCC3)c(F)c2)ccc(F)c1F,OJCZBEVMZHFJCA-UHFFFAOYSA-N
rxn:4:182739:223000,Fc1cc(-c2ccc3c(c2Cl)OCC3)ccc1C1CCCNC1,OSHFFOFXDXZVRR-UHFFFAOYSA-N
rxn:4:183508:224390,CCOC(=O)Cc1cc(C#N)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc1C(F)F,AUDARTWRNYKADO-UHFFFAOYSA-N
rxn:4:185742:225853,Cc1nccn1-c1ccc(-c2cc([N+](=O)[O-])cc(F)c2OCC(F)(F)F)c(F)c1,VFUHBTHQUJDYNK-UHFFFAOYSA-N
rxn:4:185749:223400,CNCc1cccc(-c2cc(OC(C(F)(F)F)C(F)(F)F)ccn2)c1,IUTROOYUTWDNKQ-UHFFFAOYSA-N
rxn:4:191376:223127,C#Cc1cc(-c2ccc(CNC3CC3)cc2F)cc([N+](=O)[O-])c1,NYFKYFAZWGLOSK-UHFFFAOYSA-N
rxn:4:191419:223200,N#Cc1cc(-c2ccc(C3CCNC3)cc2)c(Cl)cc1C(F)(F)F,PLZYYYAQKBTQBB-UHFFFAOYSA-N
rxn:4:192580:226462,CCn1cnc2cc(-c3cnc(OC4CCSC4)c(F)c3)c(F)cc21,NREWUTYLCZXPGK-UHFFFAOYSA-N
rxn:4:194517:223198,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4cccc(CNC5CC5)c4)cc3)nc2c1,PWPMWVFSUDSUGN-UHFFFAOYSA-N
rxn:4:194989:223004,N#Cc1cc(F)c(-c2ccc(C3CCNCC3)c(F)c2)c(Cl)c1,GIRMLVQOMHFRKR-UHFFFAOYSA-N
rxn:4:195000:225674,N#Cc1ccc(-c2cnc(C3CCCCC3)cc2F)c(F)c1F,HZGGNHNZFNRADL-UHFFFAOYSA-N
rxn:4:195004:223002,N#Cc1cc(F)c(F)c(-c2ccc(C3CCNCC3)cc2F)c1,LYCGMXRWHPOPRA-UHFFFAOYSA-N
rxn:4:195314:225881,COc1cc(Cl)c(-c2ccc(C3CCOCC3)nc2F)cn1,LPQDQRWUFNKQQL-UHFFFAOYSA-N
rxn:4:195324:225674,CSc1ccc(-c2cnc(C3CCCCC3)cc2F)c(Cl)n1,VSUPOCWLXLYNAJ-UHFFFAOYSA-N
rxn:4:195638:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)cc(Cl)c1[N+](=O)[O-],HLLJYRLYKWOQMS-UHFFFAOYSA-N
rxn:4:196327:223147,FC1(F)CC(c2ccc(-c3ccc(C4CNCCO4)cc3)cn2)C1,PQNHIWYQAVKOTK-UHFFFAOYSA-N
rxn:4:196952:227980,CN1CCCC1c1ccc(-c2ccc(C3CC3)cc2F)cc1,ZFYOCCKTUYSACF-UHFFFAOYSA-N
rxn:4:196952:227981,CN1CCCC1c1ccc(-c2ccc(C3CC3)cc2Cl)cc1,DTDLFVYHUFBJTL-UHFFFAOYSA-N
rxn:4:203190:228375,N#Cc1ccc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)c1F,ZNRDXLOXPPENFY-UHFFFAOYSA-N
rxn:4:205347:223200,N#CC1(c2ccc(-c3ccc(C4CCNC4)cc3)cn2)CC1,GCGDXFWTUTXJGA-UHFFFAOYSA-N
rxn:4:209793:223312,Cc1cc(N2CCC(F)(F)C2)ncc1-c1ccc(C2CNC2)cc1,LZQUGPYQQLSBMU-UHFFFAOYSA-N
rxn:4:209952:225319,N#Cc1c[nH]c2cc(-c3cc(F)c(F)c(N4CCOCC4)c3)c(F)cc12,HHVZVQOQVGLGTN-UHFFFAOYSA-N
rxn:4:209963:225738,CCCCOc1cc(F)c(-c2cc([N+](=O)[O-])cc3cc[nH]c23)cc1F,RXZPNBWWEXBCLL-UHFFFAOYSA-N
rxn:4:209963:225766,CCCOc1c(F)cc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)c(C)c1F,FCTDAVXVOFYAFW-UHFFFAOYSA-N
rxn:4:210242:225677,Cc1nc2cc(-c3ccc(C4CCCCC4)nc3F)cc([N+](=O)[O-])c2o1,XRSKZSKVAJKSQP-UHFFFAOYSA-N
rxn:4:210587:225677,CC(=O)c1c[nH]c2c(-c3ccc(C4CCCCC4)nc3F)cnc(C)c12,XNKQYVPICOULJC-UHFFFAOYSA-N
rxn:4:217311:224494,O=[N+]([O-])c1cc(-c2ccc(CCOC3CCCCO3)cc2)c2[nH]ncc2c1,QJYFGIMDHIAPDP-UHFFFAOYSA-N
rxn:4:217340:222437,O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)cc1,HAFZZGPCJTTZEP-UHFFFAOYSA-N
rxn:4:217340:224846,CCC1CCC(c2ccc(-c3cc([N+](=O)[O-])cc4nc[nH]c34)cc2)CC1,ZQTAMTRDXCSPGB-UHFFFAOYSA-N
rxn:4:217545:226145,Cc1c([N+](=O)[O-])cc(-c2ccc(OC3CCCC3)cc2)c2[nH]ncc12,AHNAWOWCLWOWMK-UHFFFAOYSA-N
rxn:4:176397:223360,CNCc1cccc(-c2ccc(OCC(F)F)c(F)c2Cl)c1F,PIRFJXVFAQQQIT-UHFFFAOYSA-N
rxn:4:176830:223311,Cc1cc(OCC(F)F)ccc1-c1cccc(C2CNC2)c1,GGENUVDOQYHNLD-UHFFFAOYSA-N
rxn:4:177053:223311,Fc1cc(-c2cccc(C3CNC3)c2)c(F)cc1OCC1CC1,BNYGGAPFBFAHQO-UHFFFAOYSA-N
rxn:4:178075:223312,Cc1cc(-c2cccc(OC(F)(F)F)c2)ccc1-c1ccc(C2CNC2)cc1,LCOMKAXDDBMBRO-UHFFFAOYSA-N
rxn:4:179079:226327,Cc1cc(OC(F)(F)F)ccc1-c1ccc(C2(C#N)CC2)cc1Cl,CJIVRMOUFUFWAB-UHFFFAOYSA-N
rxn:4:179355:223199,O=C(c1ccc(-c2cccc(C3CCNC3)c2)cc1)C1CC1,OHYXRPAVYOLQCF-UHFFFAOYSA-N
rxn:4:181401:223059,Clc1cc(N2CCNCC2)ccc1-c1cc(C2CCC2)co1,ILTNAYMOGMILJH-UHFFFAOYSA-N
rxn:4:181405:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(C2CC2)cc1Cl,MHSQOHIBGVQQEA-UHFFFAOYSA-N
rxn:4:181631:226356,COc1cc(-c2ccc(C3CC(=O)C3)c(F)c2)c(Cl)cc1C1CC1,YVUPZBWEDQKDGL-UHFFFAOYSA-N
rxn:4:181646:227306,Cc1nc(OC(C)C)ccc1-c1ccc(C2CC(=O)C2)cc1F,FDGDGZTVJSJCPB-UHFFFAOYSA-N
rxn:4:181734:227458,CN1CCOc2cc(-c3cc(F)cc(C4(C)CC4(F)F)c3)cnc21,SLBHLGGMAJSZGH-UHFFFAOYSA-N
rxn:4:181798:222985,Cc1nc(C2CCCNC2)ccc1-c1c(F)c(F)c(-c2ccccc2)c(F)c1F,HKJDLMBESDLQKP-UHFFFAOYSA-N
rxn:4:181988:222405,Cc1ccc(-c2cc(F)c(-c3cccc(C4NC(=O)NC4=O)c3)cc2F)cc1,SVRQVEKGWJYXSP-UHFFFAOYSA-N
rxn:4:183225:223312,c1cc(C2CNC2)ccc1-c1ccc2c(c1)C1(CCC2)CC1,RJLVHUHXMKODOS-UHFFFAOYSA-N
rxn:4:184274:223306,N#Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-c1ccc2c(c1)CNCC2,FIISRUMRUBEJIC-UHFFFAOYSA-N
rxn:4:191400:222803,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,BXMIWCHGIUUNBR-UHFFFAOYSA-N
rxn:4:192083:223200,N#CC1(c2ccc(-c3ccc(C4CCNC4)cc3)c(Cl)c2)CC1,IICOPYKBUNFLNF-UHFFFAOYSA-N
rxn:4:192542:227558,Cc1cc(OC(F)F)ccc1-c1ccc(C2(C#N)CC2)cc1C,RQRJWGIQBFJDCT-UHFFFAOYSA-N
rxn:4:192580:228469,Cc1ncc([N+](=O)[O-])cc1-c1cnc(OC2CCSC2)c(F)c1,UOJJHSVETKWOEQ-UHFFFAOYSA-N
rxn:4:194579:223279,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)[nH]c2c1,KYVUIEAQZJHCHT-UHFFFAOYSA-N
rxn:4:195606:227278,Cc1c(Cl)cc(-c2ccc(C3(C#N)CC3)nc2)cc1[N+](=O)[O-],BKPGWIXPYDPHMO-UHFFFAOYSA-N
rxn:4:195774:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C2CC2)nc1,CZJHSRAXJOHCKJ-UHFFFAOYSA-N
rxn:4:196952:227293,CN1CCCC1c1ccc(-c2cncc(OC(C)(C)C)c2)cc1,WIEKVAOBXNCGGU-UHFFFAOYSA-N
rxn:4:196952:227720,CN1CCCC1c1ccc(-c2ccc(OC(F)F)cc2Cl)cc1,UOTRKOGLLKVJGQ-UHFFFAOYSA-N
rxn:4:196952:227827,Cc1ccc(C2CC2)cc1-c1ccc(C2CCCN2C)cc1,UCQNSXHBRQXGOH-UHFFFAOYSA-N
rxn:4:196952:227988,CN1CCCC1c1ccc(-c2cccc(C3CC3)c2F)cc1,UJWBWTFLJHGUHJ-UHFFFAOYSA-N
rxn:4:196952:228066,CN1CCCC1c1ccc(-c2ccc3c(c2)OCCO3)cc1,UMBNWYUBCQHLIU-UHFFFAOYSA-N
rxn:4:196952:228136,CN1CCCC1c1ccc(-c2ccc(OC3CC3)nc2)cc1,ODYIWPHHQKLKJM-UHFFFAOYSA-N
rxn:4:196952:228365,CN1CCCC1c1ccc(-c2cnc(C3CC3)nc2Cl)cc1,ZWIDMZIIHCSENW-UHFFFAOYSA-N
rxn:4:196952:228420,CSc1c(F)cc(-c2ccc(C3CCCN3C)cc2)cc1F,KFIPZZVSAZEXCK-UHFFFAOYSA-N
rxn:4:203154:228397,COc1cc(-c2cnc(OCC3CCC3)nc2)cc(F)c1F,JFYXYLHLQLZNBQ-UHFFFAOYSA-N
rxn:4:203190:226775,COC(=O)c1cc(F)c(-c2cnc(OCC3CC(F)(F)C3)nc2)cc1Cl,OEEHUYDBXTXPLM-UHFFFAOYSA-N
rxn:4:205353:226323,N#CC1(c2cncc(-c3ccc(OC4CCCC4)nc3)c2)CC1,BDTDRIWWGOKQCM-UHFFFAOYSA-N
rxn:4:208054:223004,N#Cc1nc(-c2ccc(C3CCNCC3)c(F)c2)ccc1Cl,DRASMXNJADLVPS-UHFFFAOYSA-N
rxn:4:210025:225677,N#Cc1cnc2ccc(-c3ccc(C4CCCCC4)nc3F)cc2c1Cl,OLIFRKCJCCZHLH-UHFFFAOYSA-N
rxn:4:212843:226045,CN1CCN(c2ccc(-c3ccc(C(F)(F)C(F)(F)F)nc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,QYBVOQREYRIVBD-GDLZYMKVSA-N
rxn:4:178073:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)ccc1-c1ccc(OC(F)(F)F)cc1,PRDKGKXBYDDQAF-UHFFFAOYSA-N
rxn:4:179969:223241,Cc1cc(CC2CC2)ccc1-c1cncc(C2CCNC2)c1,SUXMKMZCVPTAKV-UHFFFAOYSA-N
rxn:4:181167:223200,COc1c(F)cc(F)c(-c2ccc(C3CCNC3)cc2)c1F,JVOLSFOQKVPJFT-UHFFFAOYSA-N
rxn:4:181203:226446,CC(=O)c1ccc(-c2ccc(C3CCOC3)nc2C)c(Cl)c1,BTCWBLMGXFVLAZ-UHFFFAOYSA-N
rxn:4:181270:223059,CC(C)c1coc(-c2ccc(N3CCNCC3)cc2Cl)c1,QEXZCNGQCPYZFV-UHFFFAOYSA-N
rxn:4:181631:227470,CCCOc1ncc(-c2ccc(C3CC(=O)C3)c(F)c2)c(C)n1,ZWFJEVIKSSFWOQ-UHFFFAOYSA-N
rxn:4:181646:228402,COc1c(Cl)ccc(-c2ccc(C3CC(=O)C3)cc2F)c1F,ZGRZFOCPJLGBFG-UHFFFAOYSA-N
rxn:4:183260:223200,c1cc(C2CCNC2)ccc1-c1ccc2c(c1)COC21CCCCC1,ZFXCLZFHZKPTDQ-UHFFFAOYSA-N
rxn:4:189785:225316,COc1c(-c2cnc(-c3cccc(F)c3)nc2Cl)cc([N+](=O)[O-])cc1C(C)(C)C,IEXAQDSHOMNAMU-UHFFFAOYSA-N
rxn:4:192857:223199,c1cc(-c2ccc(OC3CCCC3)nc2)cc(C2CCNC2)c1,WMQRCZFBQOYQOX-UHFFFAOYSA-N
rxn:4:194518:223280,FS(F)(F)(F)(F)c1ccc2oc(-c3cccc(-c4cnc(C5CCNC5)nc4)c3)nc2c1,XZCUYVXXSPPXOU-UHFFFAOYSA-N
rxn:4:194935:225684,C#Cc1cc(Cl)c(-c2ccc(C3CCOCC3)nc2C)cn1,QURNOMOLMVNVMO-UHFFFAOYSA-N
rxn:4:194948:223065,N#Cc1ccc(-c2ccc(N3CCNCC3)cc2F)c(Cl)c1,YBSKGTINIOOKCE-UHFFFAOYSA-N
rxn:4:195034:222925,FC(F)(F)c1cc(-c2ccc(N=C=S)cc2)ccc1C1CNC1,OOKUVXVHJDSJFS-UHFFFAOYSA-N
rxn:4:195599:226572,Cc1cc(-c2cnc(OC3CCCC3)nc2)c(Cl)cc1N=C=S,FWYLZUNMAXURLK-UHFFFAOYSA-N
rxn:4:195643:225300,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC3CCOCC3)nc2F)c1F,DPFYVWPAHLLRKD-UHFFFAOYSA-N
rxn:4:195846:222985,Cc1nc(C2CCCNC2)ccc1-c1ccnc(C2CC2(F)F)c1,LHOREBMPJKDELT-UHFFFAOYSA-N
rxn:4:196664:223312,c1cc(C2CNC2)ccc1-c1cc(N2CCCCC2)co1,FVUHADLFFMQGGJ-UHFFFAOYSA-N
rxn:4:196952:227447,CN1CCCC1c1ccc(-c2c(F)ccc(C3CC3)c2F)cc1,HFIAIZNILMHCCH-UHFFFAOYSA-N
rxn:4:196952:227628,CN1CCCC1c1ccc(-c2cnc(C3CCC3)nc2Cl)cc1,UCMLWXIKKMTSTI-UHFFFAOYSA-N
rxn:4:196952:227718,CN1CCCC1c1ccc(-c2ccc(OC(F)F)cc2F)cc1,IBAAQNKFVRYQOA-UHFFFAOYSA-N
rxn:4:196952:227794,CN1CCCC1c1ccc(-c2cc([N+](=O)[O-])cc(Cl)c2F)cc1,RNFJHFMEKZRKDF-UHFFFAOYSA-N
rxn:4:196952:227832,Cc1cc(C2CC2)ccc1-c1ccc(C2CCCN2C)cc1,NNXJMQKFDCPJKL-UHFFFAOYSA-N
rxn:4:196952:228013,CN1CCCC1c1ccc(-c2ccc(F)c(C3CC3)c2)cc1,IDYVRCGWGIBPSX-UHFFFAOYSA-N
rxn:4:196952:228014,CN1CCCC1c1ccc(-c2cccc(C3CC3)c2Cl)cc1,MSJNCTRXPBMGGO-UHFFFAOYSA-N
rxn:4:196952:228214,CN1CCCC1c1ccc(-c2cnc(C3CC3)cc2F)cc1,ROIWWOPFHKDVDF-UHFFFAOYSA-N
rxn:4:196952:228344,CN1CCCC1c1ccc(-c2ccc(SC(F)F)cc2)cc1,IPKHCEVMVYEDGH-UHFFFAOYSA-N
rxn:4:196952:228463,CN1CCCC1c1ccc(-c2ccc(OC(F)F)nc2)cc1,FPTDFGJRKNPMSS-UHFFFAOYSA-N
rxn:4:196955:227996,CC(=O)c1ccc(-c2ccc(C3CCCCC3)nc2)c(C)c1,ZEJPQQRRZSCNRP-UHFFFAOYSA-N
rxn:4:202856:223312,FC(F)(F)COc1cnc(-c2ccc(C3CNC3)cc2)cn1,KTWWWLFBDAHRGQ-UHFFFAOYSA-N
rxn:4:203190:227674,COc1c(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C)c(F)c1F,XQUQIOCUYZOYGH-UHFFFAOYSA-N
rxn:4:207002:225314,COc1cc(-c2cnc(-c3ccc(F)cc3)nc2Cl)cc(N2CCN(C)CC2)c1,HFWUYBFCYPWRSO-UHFFFAOYSA-N
rxn:4:208133:223005,FC(F)c1cncc(-c2ccc(C3CCNCC3)c(Cl)c2)n1,KGAPPHNIVQAXIW-UHFFFAOYSA-N
rxn:4:209963:225728,CCCCOc1ccc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)c(F)c1F,NMQGYXJKVXDPOC-UHFFFAOYSA-N
rxn:4:215320:226189,N#Cc1ncc([N+](=O)[O-])cc1-c1ccc(C2CCCC2)c(F)c1,NTDXOAUBPHYCAH-UHFFFAOYSA-N
rxn:4:217545:226012,Cc1c([N+](=O)[O-])cc(-c2ccc(OCC(F)(F)F)cc2F)c2[nH]ncc12,WEOMBOWGIQCETL-UHFFFAOYSA-N
rxn:4:176830:223306,Cc1cc(OCC(F)F)ccc1-c1ccc2c(c1)CNCC2,DVJZQLHOQNFKGL-UHFFFAOYSA-N
rxn:4:178620:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(SC(F)F)cc1,YTDWFHYUONJURU-UHFFFAOYSA-N
rxn:4:178620:223059,FC(F)Sc1ccc(-c2ccc(N3CCNCC3)cc2Cl)cc1,FTFUCJQYHRTVQO-UHFFFAOYSA-N
rxn:4:178640:223059,Fc1cc(OC(F)F)ccc1-c1ccc(N2CCNCC2)cc1Cl,AOOYMXWNYOAFEJ-UHFFFAOYSA-N
rxn:4:179256:226508,Fc1cc(-c2ccc(OCC3CC3)nc2F)cc(F)c1CC1CO1,ZPDCRGQXIGWSJI-UHFFFAOYSA-N
rxn:4:180034:223200,COc1c(-c2ccc(C3CCNC3)cc2)ccc(C2OCCO2)c1F,FCNLFXZEJQLFMO-UHFFFAOYSA-N
rxn:4:180083:223312,c1cc(SC2CCCC2)cc(-c2ccc(C3CNC3)cc2)c1,LYYHKURTKRGNOR-UHFFFAOYSA-N
rxn:4:180335:222399,O=C(Nc1nc[nH]n1)c1cccc(-c2cccc(OC3CCCCC3)c2)c1,VIFLAKHIHBLJLX-UHFFFAOYSA-N
rxn:4:180903:223059,C#Cc1cc(F)c(-c2ccc(N3CCNCC3)cc2Cl)c(F)c1,VRNSBJILWWFVTR-UHFFFAOYSA-N
rxn:4:180928:223059,FCc1c(Cl)ccc(-c2ccc(N3CCNCC3)cc2Cl)c1F,RTWPBROFCDYTSJ-UHFFFAOYSA-N
rxn:4:181001:223200,Fc1c(-c2ccc(C3CCNC3)cc2)cccc1C(F)(F)F,LZUJUEHPFKVLSC-UHFFFAOYSA-N
rxn:4:181532:226025,CC1(c2ccc(F)c(-c3cnc(OC4CCOC4)nc3Cl)c2)CO1,NAJVWHVABDKKLU-UHFFFAOYSA-N
rxn:4:181641:226327,N#CC1(c2ccc(-c3ccc(C4OCCO4)cc3F)c(Cl)c2)CC1,TXSXGSDCEZBMBS-UHFFFAOYSA-N
rxn:4:181932:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)cc(C)c1C1CC1,SJHULNBACSAOMB-UHFFFAOYSA-N
rxn:4:182107:223239,CC1(C)CCC(c2ccc(-c3cncc(C4CCCN4)c3)cc2)CC1,NHGLXDPGAQFSAF-UHFFFAOYSA-N
rxn:4:182479:223059,Fc1cc(F)c(-c2ccc(N3CCNCC3)cc2Cl)cc1F,ZYEXYZSJLGRXFS-UHFFFAOYSA-N
rxn:4:182535:223059,Cc1c(-c2ccc(N3CCNCC3)cc2Cl)ccc(F)c1Cl,PNUCZZAJBNCCHK-UHFFFAOYSA-N
rxn:4:182564:223059,Cc1cc(F)c(-c2ccc(N3CCNCC3)cc2Cl)c(Cl)c1F,LTOVIJJKCWDVNJ-UHFFFAOYSA-N
rxn:4:185754:225238,Fc1ccc(-c2ncc(-c3cncc(OC(C(F)(F)F)C(F)(F)F)c3)cc2Cl)cc1,SBCVZMUFWBLJPI-UHFFFAOYSA-N
rxn:4:192167:225677,CCc1ncc(-c2ccc(C3CCCCC3)nc2F)cc1OC,XQPDRSBFLQFZOX-UHFFFAOYSA-N
rxn:4:194579:223280,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4cnc(C5CCNC5)nc4)cc3)[nH]c2c1,LTZPMVNAIDMDDX-UHFFFAOYSA-N
rxn:4:194969:223065,N#Cc1cc(Cl)c(-c2ccc(N3CCNCC3)cc2F)cc1F,VTMKNWUGWNDTNQ-UHFFFAOYSA-N
rxn:4:194972:223002,N#Cc1cc(-c2ccc(C3CCNCC3)cc2F)c(Cl)cc1F,TXRBHGAQNCMXCN-UHFFFAOYSA-N
rxn:4:195462:223002,Cc1c(C#N)ccc(-c2ccc(C3CCNCC3)cc2F)c1Cl,RAAGOYOKNHNZCV-UHFFFAOYSA-N
rxn:4:195647:223200,Cc1c(-c2ccc(C3CCNC3)cc2)ccc([N+](=O)[O-])c1F,KKPAHLGWGPOWCE-UHFFFAOYSA-N
rxn:4:195810:226572,Fc1c(-c2cnc(OC3CCCC3)nc2)ccnc1C1CC1,YXAKRRPOTGFWJG-UHFFFAOYSA-N
rxn:4:196225:226457,COc1cc(C)c(-c2ccc(C3CCOC3)c(F)c2)c(C)n1,KBICQVWPVKGVGM-UHFFFAOYSA-N
rxn:4:196952:227869,CC1Cc2cc(-c3ccc(C4CCCN4C)cc3)ccc2O1,JNYMMDPEHNVOQP-UHFFFAOYSA-N
rxn:4:196952:228009,CN1CCCC1c1ccc(-c2ccc(C3CC3)c(F)c2)cc1,PLWFVXCQLGZIRE-UHFFFAOYSA-N
rxn:4:196952:228218,CN1CCCC1c1ccc(-c2cc(C3CC3)ncc2F)cc1,VBVIYFUWJGTGHE-UHFFFAOYSA-N
rxn:4:196952:228486,CN1CCCC1c1ccc(-c2cc(F)cc([N+](=O)[O-])c2)cc1,SKKPRWBEGAVQEB-UHFFFAOYSA-N
rxn:4:196954:226893,CN1CCC(c2ccc(-c3cc(Cl)c(C(F)(F)F)cc3F)cc2)C1,METYHHRVTBQTBT-UHFFFAOYSA-N
rxn:4:197711:227996,CC(=O)c1ccc(-c2ccc(C34CC(C)(C3)C4)nc2)c(C)c1,FOJINKYYNXTYBI-UHFFFAOYSA-N
rxn:4:202951:225536,COc1cc([N+](=O)[O-])cc(-c2ccc(OCC(C)C)c(C#N)c2)c1C#N,OCJYDLOPAKINHH-UHFFFAOYSA-N
rxn:4:203190:225851,Cc1nccn1-c1cc(F)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,OKEIULRHJPLGGH-UHFFFAOYSA-N
rxn:4:203190:228126,COc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(C#N)c1,IOUIRUSCOFQWEL-UHFFFAOYSA-N
rxn:4:203190:228336,COc1ncc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc1SC,WWEGGIRDMLLDEU-UHFFFAOYSA-N
rxn:4:208160:223000,O=[N+]([O-])c1nc(-c2ccc(C3CCCNC3)c(F)c2)ccc1Cl,DITCAZNABOJZBB-UHFFFAOYSA-N
rxn:4:208510:225881,COc1ncc(-c2ccc(C3CCOCC3)nc2F)c(C)n1,HHHLEUSMBIYLSD-UHFFFAOYSA-N
rxn:4:176385:223312,FC(F)C(F)(F)Oc1ccc(-c2ccc(C3CNC3)cc2)cc1,FOUUFQOLLVEGDL-UHFFFAOYSA-N
rxn:4:176904:223059,Cc1cc(OCC(F)(F)F)ccc1-c1ccc(N2CCNCC2)cc1Cl,VMIULSPGNXFAQV-UHFFFAOYSA-N
rxn:4:179605:226327,Cc1cc(OC(F)F)cc(C)c1-c1ccc(C2(C#N)CC2)cc1Cl,QSUUKYPNYYXEOQ-UHFFFAOYSA-N
rxn:4:180084:227626,CC(=O)c1cc(-c2cnc(C3CCOC3)nc2)cc(C(C)C)c1,SDBYEVLAZLZUHC-UHFFFAOYSA-N
rxn:4:180097:223241,Clc1cc(OC2CCCC2)cc(-c2cncc(C3CCNC3)c2)c1,FWXWYIHTBBZTJZ-UHFFFAOYSA-N
rxn:4:180893:223059,C#Cc1cccc(-c2ccc(N3CCNCC3)cc2Cl)c1F,XJPPTMPVMROHAI-UHFFFAOYSA-N
rxn:4:181003:223064,Fc1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C(F)(F)F,MWKPDLPBMPFXCK-UHFFFAOYSA-N
rxn:4:181631:228357,COc1nc(C)c(-c2ccc(C3CC(=O)C3)c(F)c2)c(C)n1,AEHPYCNRVOTHCV-UHFFFAOYSA-N
rxn:4:181646:228971,O=C1CC(c2ccc(-c3csc(C(F)(F)F)c3)c(F)c2)C1,LNDNTWJXXLGYJJ-UHFFFAOYSA-N
rxn:4:181691:223139,CSc1cc(C)c(-c2ccc(C3CCNCC3)nc2)cc1C,PTJWNQMXIWXSBO-UHFFFAOYSA-N
rxn:4:181998:222780,Cc1c(-c2cc(F)cc(C(=O)NCCN(C)C)c2)ccc(-c2ccc(F)cc2)c1F,GYCAIFCCEOFIKK-UHFFFAOYSA-N
rxn:4:182467:225454,CN1CC=C(c2ccc(-c3cc(F)c(F)cc3Cl)cc2)CC1,MEWLBXHLIYNUDX-UHFFFAOYSA-N
rxn:4:182574:223002,Cc1cc(Cl)c(-c2ccc(C3CCNCC3)cc2F)cc1C,PDBCMQYUNRQHSS-UHFFFAOYSA-N
rxn:4:182722:223000,Fc1cc(-c2ccc3c(c2)CCO3)ccc1C1CCCNC1,DANUUERSXWAWQV-UHFFFAOYSA-N
rxn:4:191986:223200,CCc1ccc(-c2ccc(C3CCNC3)cc2)cc1[N+](=O)[O-],ICLQFSKKXIDWEQ-UHFFFAOYSA-N
rxn:4:195146:223109,CC(NC1CC1)c1ccc(-c2ccc(N=C=S)c(F)c2Cl)cc1,YCYXNFNRCWNYGT-UHFFFAOYSA-N
rxn:4:195151:225456,CN1CCC(c2ccc(-c3ccc(N=C=S)c(F)c3F)cc2)CC1,NMPCFLCGSWYORB-UHFFFAOYSA-N
rxn:4:195152:222847,N#Cc1cc(-c2cc(F)c(N=C=S)cc2F)cc(C2CCCNC2)c1,XHDUYCDCCHMUBE-UHFFFAOYSA-N
rxn:4:195496:223241,FS(F)(F)(F)(F)c1ccc(-c2cncc(C3CCNC3)c2)cn1,MDDONEAWKDQGJI-UHFFFAOYSA-N
rxn:4:195525:222925,CCc1cc(Cl)ncc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,KORDDISYXLGROZ-UHFFFAOYSA-N
rxn:4:195643:225923,Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCCC3)nc2Cl)c1F,OOFXAESRVGVNLQ-UHFFFAOYSA-N
rxn:4:195758:223065,Fc1cc(N2CCNCC2)ccc1-c1ncc(C2CCC2)s1,BBWQQSNTYDKWMU-UHFFFAOYSA-N
rxn:4:196952:226770,COC(=O)c1cc(-c2ccc(C3CCCN3C)cc2)c(F)cc1Cl,HSNPDRNHIJTXBK-UHFFFAOYSA-N
rxn:4:196952:226846,COc1nc(C(F)(F)F)ccc1-c1ccc(C2CCCN2C)cc1,GKVXTPSKYILHEH-UHFFFAOYSA-N
rxn:4:196952:227203,CN1CCCC1c1ccc(-c2ccc3c(c2)OCCCO3)cc1,GAGMXTUMAWMAOE-UHFFFAOYSA-N
rxn:4:196952:227547,Cc1cc(-c2ccc(C3CCCN3C)cc2)ccc1OC(F)F,SBQYHMZEEJNWHE-UHFFFAOYSA-N
rxn:4:196952:227745,CN1CCCC1c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1,NWEVDBQLSNEZSU-UHFFFAOYSA-N
rxn:4:196952:227752,CN1CCCC1c1ccc(-c2ccc(C(F)(F)F)cc2F)cc1,URWCCPNKAFCDPM-UHFFFAOYSA-N
rxn:4:196954:228014,CN1CCC(c2ccc(-c3cccc(C4CC4)c3Cl)cc2)C1,VDWBARNSUAWRFR-UHFFFAOYSA-N
rxn:4:196954:228365,CN1CCC(c2ccc(-c3cnc(C4CC4)nc3Cl)cc2)C1,NLQDOJGKGWOHOO-UHFFFAOYSA-N
rxn:4:197442:225677,CC(=O)c1c[nH]c2cc(-c3ccc(C4CCCCC4)nc3F)c(F)cc12,GOSJBVZFQSUIFO-UHFFFAOYSA-N
rxn:4:202306:224969,CCN1CCN(Cc2cc(-c3ccc(C(=O)OC(C)(C)C)c(C)c3)cc(C(C)(C)C)c2)CC1,FUPALPNOMCZZBI-UHFFFAOYSA-N
rxn:4:203190:227769,COc1ncc([N+](=O)[O-])cc1-c1cnc(OCC2CC(F)(F)C2)nc1,QZJBGJRDMMWARB-UHFFFAOYSA-N
rxn:4:204990:226231,CCCCOc1ncc(-c2c(F)c(C#N)c(F)c(F)c2C#N)cc1C,QHYDEKDMCHKTFW-UHFFFAOYSA-N
rxn:4:208339:223142,FS(F)(F)(F)(F)c1ncc(-c2ccc(C3CCCNC3)nc2)cn1,ISNMEVNOKLQDSH-UHFFFAOYSA-N
rxn:4:210096:225300,N#Cc1nccc2c(F)c(-c3ccc(OC4CCOCC4)nc3F)ccc12,BQYILROLPTUIIE-UHFFFAOYSA-N
rxn:4:217545:222959,Cc1cc(-c2cc([N+](=O)[O-])c(C)c3cn[nH]c23)ccc1C1CCNCC1,XWOMQRSGKYVHJJ-UHFFFAOYSA-N
rxn:4:177524:223312,FC1(F)CC(COc2ccc(-c3ccc(C4CNC4)cc3)cc2Cl)C1,QGRWETRSACADAK-UHFFFAOYSA-N
rxn:4:179074:223200,COCc1ccc(-c2ccc(C3CCNC3)cc2)c(F)c1F,WFDZNRHZQWOXAO-UHFFFAOYSA-N
rxn:4:181631:228308,CCOc1ncc(-c2ccc(C3CC(=O)C3)c(F)c2)c(C)n1,HKCWEVZOXOKPGG-UHFFFAOYSA-N
rxn:4:182467:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cc(F)c(F)cc1Cl,AEOZPTSNHWBTQR-UHFFFAOYSA-N
rxn:4:182520:223059,Cc1c(Cl)ccc(-c2ccc(N3CCNCC3)cc2Cl)c1F,PLJPNMODVGGOCZ-UHFFFAOYSA-N
rxn:4:182733:223000,Fc1cc(-c2cccc3c2C=CC3)ccc1C1CCCNC1,UPOCMZIHJNQJJI-UHFFFAOYSA-N
rxn:4:182900:226025,Fc1cc2c(cc1-c1cnc(OC3CCOC3)nc1Cl)CCC2,RYUPUGDOOPLFAP-UHFFFAOYSA-N
rxn:4:188190:223241,O=[N+]([O-])c1c(-c2cncc(C3CCNC3)c2)ccc(OC(F)F)c1F,RWGIUESFDSYLOL-UHFFFAOYSA-N
rxn:4:188588:223312,Cc1cc(-c2ccc(C3CNC3)cc2)cnc1OCC(F)F,DJYLUFISIFDXDN-UHFFFAOYSA-N
rxn:4:191406:223200,N#Cc1c(-c2ccc(C3CCNC3)cc2)cccc1C(F)(F)F,ZTYNWSQGNUEDIE-UHFFFAOYSA-N
rxn:4:194517:227701,COC(=O)c1cc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)c(F)cn1,MWYMEFRMNRTCRL-UHFFFAOYSA-N
rxn:4:194579:223312,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CNC5)cc4)cc3)[nH]c2c1,RFYIOPKKENSALB-UHFFFAOYSA-N
rxn:4:194582:223307,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc5c(c4)CCNC5)cc3)cc2c1,WKAYWGKRHNECDV-UHFFFAOYSA-N
rxn:4:194948:223059,N#Cc1ccc(-c2ccc(N3CCNCC3)cc2Cl)c(Cl)c1,GMTDKQKRUCMXGL-UHFFFAOYSA-N
rxn:4:194969:223059,N#Cc1cc(Cl)c(-c2ccc(N3CCNCC3)cc2Cl)cc1F,IINREHWWNAAQHN-UHFFFAOYSA-N
rxn:4:194979:223059,N#Cc1cc(F)c(F)cc1-c1ccc(N2CCNCC2)cc1Cl,VYHKZKOLUADCJF-UHFFFAOYSA-N
rxn:4:195600:226663,Cc1cc(N=C=S)c(F)cc1-c1ccc(N2CCSCC2)nc1,IKCYPFTZTZVYDT-UHFFFAOYSA-N
rxn:4:195601:223199,Cc1cc(-c2cccc(C3CCNC3)c2)c(F)cc1N=C=S,STMWVFJIBZDTRO-UHFFFAOYSA-N
rxn:4:196227:225320,Cc1c(-c2ccc(N3CCOCC3)c(F)c2F)cncc1C1CC1,NXHPYPWOBLAMTC-UHFFFAOYSA-N
rxn:4:196227:226327,Cc1c(-c2ccc(C3(C#N)CC3)cc2Cl)cncc1C1CC1,BKFMEPSKQQGQIG-UHFFFAOYSA-N
rxn:4:196616:225934,Fc1nc(C2COCCO2)ccc1-c1cnc(C(F)(F)F)c(C2CC2)c1,YDTQZZVFZNPQQX-UHFFFAOYSA-N
rxn:4:196952:225472,CC1CCCCN1c1cccc(-c2ccc(C3CCCN3C)cc2)c1,OWPHYNRCUMMPOK-UHFFFAOYSA-N
rxn:4:196952:226900,CN1CCCC1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,BERYUVOWUGECMU-UHFFFAOYSA-N
rxn:4:196952:227828,Cc1c(-c2ccc(C3CCCN3C)cc2)cccc1C1CC1,IMYVWPCFYCDLCW-UHFFFAOYSA-N
rxn:4:196952:227863,CN1CCCC1c1ccc(-c2ccc3c(c2)CCCO3)cc1,OFEXTOWDTFRPJB-UHFFFAOYSA-N
rxn:4:196952:227868,CN1CCCC1c1ccc(-c2ccc3c(c2)OCCC3)cc1,HVCMFFKLCJAFIX-UHFFFAOYSA-N
rxn:4:196952:228970,CN1CCCC1c1ccc(-c2ccc(C(F)(F)F)s2)cc1,AWKZPDCXRYYUMF-UHFFFAOYSA-N
rxn:4:196954:228013,CN1CCC(c2ccc(-c3ccc(F)c(C4CC4)c3)cc2)C1,RPNSZNKJHUNFSA-UHFFFAOYSA-N
rxn:4:197711:228223,CC12CC(c3ccc(-c4ccc(C5CC5)nc4F)cn3)(C1)C2,WJDFIYMARJGJEZ-UHFFFAOYSA-N
rxn:4:198144:222704,Fc1cnc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)c(Cl)c1,ULPDCBJGFOXAMK-UHFFFAOYSA-N
rxn:4:201294:227769,COc1ncc([N+](=O)[O-])cc1-c1cnc(OCC2CC2)c(C#N)c1,KBMDCITZWLJFDZ-UHFFFAOYSA-N
rxn:4:205024:226190,N#Cc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCCC2)cc1F,RUQDCWPRKKMLJR-UHFFFAOYSA-N
rxn:4:205036:223064,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1ccc(C2CCNCC2)nc1F,MLACAXYRXAVVSO-UHFFFAOYSA-N
rxn:4:205264:226231,CCCCOc1ncc(-c2cc([N+](=O)[O-])cc(C)c2C#N)cc1C,NDZAIUAMBDBYNM-UHFFFAOYSA-N
rxn:4:208515:225320,Fc1c(-c2cnc(C3CC3)nc2Cl)ccc(N2CCOCC2)c1F,SOWLCEDCLNWTOB-UHFFFAOYSA-N
rxn:4:217340:225576,N#Cc1cc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)ccc1N1CCCC1,IBSGFJXATXJYFM-UHFFFAOYSA-N
rxn:4:175941:222405,CCCCc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)c(F)c2)cc1,IOBJKAPEPXTSQH-UHFFFAOYSA-N
rxn:4:177679:223199,Fc1cc(-c2cccc(C3CCNC3)c2)ccc1-c1ccc(OC(F)(F)F)cc1,QIIDJHKVXOCYOY-UHFFFAOYSA-N
rxn:4:178191:223200,COC(=O)c1ccc(-c2ccc(-c3ccc(C4CCNC4)cc3)c(C)c2)cc1,SVRLWLFNUNCKDM-UHFFFAOYSA-N
rxn:4:178953:223200,Fc1c(-c2ccc(C3CCNC3)cc2)cccc1C(F)(F)C(F)(F)F,ZOXSEUCUGBYAOY-UHFFFAOYSA-N
rxn:4:179111:223312,CSc1ccc(-c2ccc(C3CNC3)cc2)cc1C(F)(F)F,ICUOPQPMQMCENA-UHFFFAOYSA-N
rxn:4:180052:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,NVAFDYBPJZSMEH-UHFFFAOYSA-N
rxn:4:181259:223130,OC1CN(Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)C1,OXJVKLRXTMFIKX-UHFFFAOYSA-N
rxn:4:181401:223065,Fc1cc(N2CCNCC2)ccc1-c1cc(C2CCC2)co1,SYSVQRBOMSKOPS-UHFFFAOYSA-N
rxn:4:181459:223065,CSc1cc(C)c(-c2ccc(N3CCNCC3)cc2F)cc1F,IMPWKDGEFQJEPT-UHFFFAOYSA-N
rxn:4:181493:223142,FC1(F)CC1c1cc(Cl)cc(-c2ccc(C3CCCNC3)nc2)c1,YRUMPIUEUACCRW-UHFFFAOYSA-N
rxn:4:181535:226327,N#CC1(c2ccc(-c3ccc(C4COC4)cc3Cl)c(Cl)c2)CC1,QXGHMMZOYOQDLQ-UHFFFAOYSA-N
rxn:4:182235:223279,c1cc(-c2cnc(C3CCCN3)nc2)cc(C23CC(C2)C3)c1,DDWOXFXITXBZMF-UHFFFAOYSA-N
rxn:4:182901:226025,Fc1c(-c2cnc(OC3CCOC3)nc2Cl)ccc2c1CCC2,OFRSERFWUOKLKF-UHFFFAOYSA-N
rxn:4:183207:223312,c1cc(C2CNC2)ccc1-c1ccc2c(c1)CCC21OCCO1,POGQITYYNOCZJO-UHFFFAOYSA-N
rxn:4:187027:226815,O=C(c1cc(OC(F)(F)F)cc(-c2cnc(-c3ccsc3)nc2Cl)c1)N1CCC(F)(F)CC1,YGCKVIVMKGSQAV-UHFFFAOYSA-N
rxn:4:188744:228934,COc1cc(Cl)c(-c2ccc(C=C[N+](=O)[O-])c(OC)c2)cn1,MUMIPALLGXPCRE-UHFFFAOYSA-N
rxn:4:194945:223059,N#Cc1cc(Cl)ccc1-c1ccc(N2CCNCC2)cc1Cl,MJTVGPYBQXFKNV-UHFFFAOYSA-N
rxn:4:194948:225454,CN1CC=C(c2ccc(-c3ccc(C#N)cc3Cl)cc2)CC1,KNCFENMLJMAKSK-UHFFFAOYSA-N
rxn:4:194968:223059,N#Cc1cc(Cl)c(F)cc1-c1ccc(N2CCNCC2)cc1Cl,QSJAXNVUMIVHLU-UHFFFAOYSA-N
rxn:4:195093:222803,O=[N+]([O-])c1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(F)c1,GWMDOHVMJQXEOL-UHFFFAOYSA-N
rxn:4:195197:223005,FC(F)(F)c1cnc(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)c1,YBQZBQDDVUXLNW-UHFFFAOYSA-N
rxn:4:195353:222803,COc1nc(F)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,BUGQWNYSERFFMB-UHFFFAOYSA-N
rxn:4:195844:223065,Fc1cc(N2CCNCC2)ccc1-c1nc(C2CC(F)(F)C2)cs1,PQSYTZZHISUDNR-UHFFFAOYSA-N
rxn:4:196040:226587,Fc1cc(-c2cnc(OC3CCC3)cc2F)cc(C2COC2)n1,LBVVLZQBIKEGQZ-UHFFFAOYSA-N
rxn:4:196952:228340,COc1nc(C2CC2)sc1-c1ccc(C2CCCN2C)cc1,XNBOHWYEKINRTJ-UHFFFAOYSA-N
rxn:4:197711:227419,CC12CC(c3ccc(-c4ccc(C5CCC5)nc4F)cn3)(C1)C2,DOLSCZFQCPCLDZ-UHFFFAOYSA-N
rxn:4:197711:227470,CCCOc1ncc(-c2ccc(C34CC(C)(C3)C4)nc2)c(C)n1,SAEDBPARAOLEKQ-UHFFFAOYSA-N
rxn:4:198286:225724,Cc1nc(Cl)c(F)cc1-c1ccc(OCCN(C)C)c(F)c1,VYIRYCXXVFUFKU-UHFFFAOYSA-N
rxn:4:198827:222769,O=C(NC1CCCC1)c1ccc(-c2cnc3cc(F)c(F)cc3c2)cc1F,XNIRCHJGZJYSCL-UHFFFAOYSA-N
rxn:4:203146:228019,CC(=O)c1ccc(C)c(-c2cnc(OCC3CCC3)cn2)c1,NUUVQRJVCYMHEC-UHFFFAOYSA-N
rxn:4:203190:228208,FC1(F)CC(COc2ncc(-c3cc(C4CC4)cnc3Cl)cn2)C1,MQXBBTJSONLZPS-UHFFFAOYSA-N
rxn:4:203190:229117,Cc1c(-c2cnc(OCC3CC(F)(F)C3)nc2)ccnc1Cl,IKXPJRPIIUGSFS-UHFFFAOYSA-N
rxn:4:204983:225802,N#Cc1ccc(-c2ccc(OC3CCCC3)nc2F)c(C#N)c1,GLMIPDBBDYDZJD-UHFFFAOYSA-N
rxn:4:205064:223008,N#Cc1nc(C(F)(F)F)ccc1-c1cc(C2CCNCC2)ccc1F,SMBZEGGTNXYKJM-UHFFFAOYSA-N
rxn:4:205226:226587,CCc1cc(-c2cnc(OC3CCC3)cc2F)cc(C#N)n1,WNJMTXZRSLVZEN-UHFFFAOYSA-N
rxn:4:209442:223312,c1cc(C2CNC2)ccc1-c1csc(N2CCCCC2)n1,KTGPMVDYWHVDLU-UHFFFAOYSA-N
rxn:4:212075:222803,Cc1cc2c(Cl)c(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cnc2[nH]1,NRSYRAORVSSVJT-UHFFFAOYSA-N
rxn:4:217340:225318,O=[N+]([O-])c1cc(-c2c(F)cc(N3CCOCC3)cc2F)c2[nH]cnc2c1,GPWLFHNCPSJUQO-UHFFFAOYSA-N
rxn:4:224331:193153,FC(F)(F)c1ccc(-c2ccc(-c3ccc(CN4CCCC4)cc3Cl)cn2)cc1,OXJQEGNLWHEMJT-UHFFFAOYSA-N
rxn:4:176208:223199,CCOC(C)Oc1ccc2cc(-c3cccc(C4CCNC4)c3)ccc2c1,QUAOTPGRDQYILR-UHFFFAOYSA-N
rxn:4:176361:223002,Fc1cc(C2CCNCC2)ccc1-c1cccc(OCC(F)F)c1,JJEUNTORMIMQGV-UHFFFAOYSA-N
rxn:4:178565:227794,CC(=O)Oc1ccc2c(=O)c(-c3ccc(-c4cc([N+](=O)[O-])cc(Cl)c4F)cc3)c(C)oc2c1,LEOQDSYDOKFAQR-UHFFFAOYSA-N
rxn:4:179572:226327,CCOc1cc(C)c(-c2ccc(C3(C#N)CC3)cc2Cl)cc1F,XMBCBALPVYPZLG-UHFFFAOYSA-N
rxn:4:179969:223200,Cc1cc(CC2CC2)ccc1-c1ccc(C2CCNC2)cc1,MOUJLSLRLOYUNV-UHFFFAOYSA-N
rxn:4:180208:223312,Fc1cc(-c2ccc(C3CNC3)cc2)ccc1OC1CCCCO1,ODJOXMVFRPUMCC-UHFFFAOYSA-N
rxn:4:181147:223062,CSc1ccc(-c2cnc(C3CCNCC3)cc2F)c(Cl)c1F,RDSCYDWYYBRFLZ-UHFFFAOYSA-N
rxn:4:181459:222987,CSc1cc(C)c(-c2ccc(C3CCNCC3)nc2C)cc1F,GJUWQCBVXKOLEA-UHFFFAOYSA-N
rxn:4:181480:223002,Fc1cc(C2CCNCC2)ccc1-c1cccc(C2CC2(F)F)c1,HZWHUMBHEQBMIQ-UHFFFAOYSA-N
rxn:4:182030:227779,O=C1CCC(c2ccc(-c3cc([N+](=O)[O-])cc(F)c3F)cc2)CC1,ONUWUXVOAMIDLV-UHFFFAOYSA-N
rxn:4:182473:223000,Fc1cc(-c2ccc(F)c(F)c2Cl)ccc1C1CCCNC1,TUBBHOIDWNMRON-UHFFFAOYSA-N
rxn:4:189246:227787,CN(C)CCc1ccc(-c2cc(Cl)c(F)c([N+](=O)[O-])c2)c(F)c1,XUEZNMUTGRLYHA-UHFFFAOYSA-N
rxn:4:191898:226508,CCc1cc(C#N)cc(-c2ccc(OCC3CC3)nc2F)c1,CLFUBZRVIPHEPH-UHFFFAOYSA-N
rxn:4:192843:222889,Fc1cc(CN2CCNCC2)cc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)c1,JZCAQXAPXDSDET-UHFFFAOYSA-N
rxn:4:193564:226816,Cc1cc(C(=O)N2CCSCC2)ccc1-c1cnc(-c2ccoc2)nc1Cl,FSTBWVZBAMXVIY-UHFFFAOYSA-N
rxn:4:194314:227779,COC(=O)c1cc2c(C)cc(-c3cc([N+](=O)[O-])cc(F)c3F)cc2[nH]1,BCHPRMOLSGRVKF-UHFFFAOYSA-N
rxn:4:194982:223059,N#Cc1cc(F)c(-c2ccc(N3CCNCC3)cc2Cl)cc1F,KKSMOEWCPZUXKV-UHFFFAOYSA-N
rxn:4:195158:223005,O=[N+]([O-])c1c(Cl)ccc(-c2ccc(C3CCNCC3)c(Cl)c2)c1F,ONFWJYFKECKHBI-UHFFFAOYSA-N
rxn:4:195541:226457,Cc1cc(N=C=S)ccc1-c1ccc(C2CCOC2)c(F)c1,CGJTWNASERLMBL-UHFFFAOYSA-N
rxn:4:195633:222991,Cc1cc(Cl)c(-c2ccc(N3CCCC(O)C3)cc2)cc1[N+](=O)[O-],OIDQJEUNPIIFJM-UHFFFAOYSA-N
rxn:4:195643:227628,Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCC3)nc2Cl)c1F,ANRWXENICURNAP-UHFFFAOYSA-N
rxn:4:195792:226605,CC(C)Oc1cc(F)c(-c2cncc(C3CC3)c2Cl)cc1F,RQUSWXCSZKHHHQ-UHFFFAOYSA-N
rxn:4:196868:228768,CCc1cc(-c2ccc(C3CCCCO3)nc2F)c(F)cn1,HUUNISHEVVBDOG-UHFFFAOYSA-N
rxn:4:196952:226736,CN1CCCC1c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1,LBIIKYPRLPZYHF-UHFFFAOYSA-N
rxn:4:196954:228489,CN1CCC(c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1,GGIIRWHGFPJGAF-UHFFFAOYSA-N
rxn:4:197051:227779,CN1CCCC(c2ccc(-c3cc([N+](=O)[O-])cc(F)c3F)cc2)C1,KQXJFPWZBOUDPX-UHFFFAOYSA-N
rxn:4:197051:227793,CN1CCCC(c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3F)cc2)C1,VDKWLXJTJOXEHP-UHFFFAOYSA-N
rxn:4:197051:228214,CN1CCCC(c2ccc(-c3cnc(C4CC4)cc3F)cc2)C1,YLJJXDYYRQVBLM-UHFFFAOYSA-N
rxn:4:197711:228216,CC12CC(c3ccc(-c4cncc(C5CC5)c4Cl)cn3)(C1)C2,HVQIUPZDZQTLEZ-UHFFFAOYSA-N
rxn:4:198238:222803,Cc1cnc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1Cl,AZRZFAARBKIJBH-UHFFFAOYSA-N
rxn:4:198827:222656,O=C(NC1CCCCC1)c1ccc(-c2cnc3cc(F)c(F)cc3c2)cc1F,ZQGKLOUMWQOQCZ-UHFFFAOYSA-N
rxn:4:199280:227779,CN1C(=O)CCc2c1ccc(-c1cc([N+](=O)[O-])cc(F)c1F)c2Cl,PADDSHOOOHTHND-UHFFFAOYSA-N
rxn:4:203190:227668,COc1c(F)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(C)c1F,LHXBPINGHJSXOL-UHFFFAOYSA-N
rxn:4:205059:222999,N#Cc1cc(C(F)(F)F)ncc1-c1cc(Cl)cc(C2CCCNC2)c1,XTOZRTASDCGLLJ-UHFFFAOYSA-N
rxn:4:205059:223005,N#Cc1cc(C(F)(F)F)ncc1-c1ccc(C2CCNCC2)c(Cl)c1,FPCYOZPCDBIQTF-UHFFFAOYSA-N
rxn:4:205059:223007,N#Cc1cc(C(F)(F)F)ncc1-c1cc(F)cc(C2CCNCC2)c1,YPZFHOXFKLSZKX-UHFFFAOYSA-N
rxn:4:208994:226572,Cc1nc(C2CC2)ncc1-c1cnc(OC2CCCC2)nc1,IGOJDAMRGJJAKH-UHFFFAOYSA-N
rxn:4:211335:222803,FC(F)(F)c1cc(-c2cnc3nc(Cl)sc3c2)ccc1C1CCNC1,UZEXTMCFMRNFFJ-UHFFFAOYSA-N
rxn:4:211486:222803,FC(F)(F)c1cc(-c2cnc3cccc(Cl)n23)ccc1C1CCNC1,DQHOSRRBOPKOKX-UHFFFAOYSA-N
rxn:4:215320:225802,N#Cc1ncc([N+](=O)[O-])cc1-c1ccc(OC2CCCC2)nc1F,LOBKRLFSSNKEQG-UHFFFAOYSA-N
rxn:4:217340:226005,O=[N+]([O-])c1cc(-c2ccc(OCC(F)(F)F)c(F)c2)c2[nH]cnc2c1,PTTAXWLDQYRXSN-UHFFFAOYSA-N
rxn:4:178630:223062,Fc1cc(C2CCNCC2)ncc1-c1cccc(OC(F)F)c1Cl,LGYAPPPLCNCFOG-UHFFFAOYSA-N
rxn:4:178634:223240,FC(F)(F)Oc1ccc(-c2ccc(C3CCNC3)nc2)cc1,HTZKJSSDSCWHNR-UHFFFAOYSA-N
rxn:4:180254:223199,Cc1cc(OC(C)C)cc(C)c1-c1cccc(C2CCNC2)c1,GSCQGBWLEJRJGC-UHFFFAOYSA-N
rxn:4:180453:223199,Cc1cc(OC2CCCCC2)ccc1-c1cccc(C2CCNC2)c1,BERXUAOYBHINJW-UHFFFAOYSA-N
rxn:4:181705:223280,FC1CC(c2cccc(-c3cnc(C4CCNC4)nc3)c2)C1,KVDGHZWUFGAYBH-UHFFFAOYSA-N
rxn:4:181721:223137,FC1(F)CC(c2ccc(-c3cncc(C4CCCNC4)c3)cc2)C1,UTAZNRVAYMCUII-UHFFFAOYSA-N
rxn:4:181892:223306,Cc1cc(C2OCCO2)ccc1-c1ccc2c(c1)CNCC2,HOXQAZWNXDQCLI-UHFFFAOYSA-N
rxn:4:184331:226155,CCOC(=O)CC(=O)c1ccc(-c2cc(C(C)=O)cc(C3CC3)c2)nc1,GDJXMYURYXLPEF-UHFFFAOYSA-N
rxn:4:188744:227947,COc1cc(-c2c(C)cc(C#N)cc2C)ccc1C=C[N+](=O)[O-],PPKCOGQDDAZULC-UHFFFAOYSA-N
rxn:4:188744:228331,CCOc1nccc(-c2ccc(C=C[N+](=O)[O-])c(OC)c2)c1Cl,PIEWUIVJVMJHHO-UHFFFAOYSA-N
rxn:4:192183:223200,COc1c(C)cc([N+](=O)[O-])cc1-c1ccc(C2CCNC2)cc1,YIEWXRVKWCPWMB-UHFFFAOYSA-N
rxn:4:192580:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(OC2CCSC2)c(F)c1,NYCWUSADVJLCHF-UHFFFAOYSA-N
rxn:4:192799:222855,COc1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)cn2)cc(C2CCCNC2)c1,BOXKFMFBGXGHCY-UHFFFAOYSA-N
rxn:4:194579:222413,Cc1cc(S(N)(=O)=O)ccc1-c1ccc(-c2cc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1,MSUWZSOMVQCUGK-UHFFFAOYSA-N
rxn:4:195066:226382,Fc1cc(N=C=S)ccc1-c1cnc(C2CCCCC2)nc1,NIIMFPQODGYEGJ-UHFFFAOYSA-N
rxn:4:195466:223142,Cc1cc(C#N)c(Cl)cc1-c1ccc(C2CCCNC2)nc1,MNANZGWZGMAQBZ-UHFFFAOYSA-N
rxn:4:195533:225454,CCc1ccc(-c2ccc(C3=CCN(C)CC3)cc2)c(F)n1,DEIQKWWFGUOCTP-UHFFFAOYSA-N
rxn:4:195598:223010,Cc1c(N=C=S)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1Cl,FVQQAFGIVDVVND-UHFFFAOYSA-N
rxn:4:195642:225454,Cc1cc(F)c(-c2ccc(C3=CCN(C)CC3)cc2)cc1[N+](=O)[O-],DKDJHMIVHOZVHY-UHFFFAOYSA-N
rxn:4:195859:223139,FC1(F)CC1c1ccnc(-c2ccc(C3CCNCC3)nc2)c1,IBOUNECAHMIQHK-UHFFFAOYSA-N
rxn:4:196285:223185,CC1(c2cncc(-c3cnc(C4CNCCO4)nc3)c2)CC1(F)F,GKOFIVYULNQSTH-UHFFFAOYSA-N
rxn:4:196952:228063,CN1CCCC1c1ccc(-c2cnc3c(c2)COCC3)cc1,FBJDZZIOJOPTLK-UHFFFAOYSA-N
rxn:4:197051:227784,CN1CCCC(c2ccc(-c3cc(F)c(F)c([N+](=O)[O-])c3)cc2)C1,VEEQJCGGSIUKRN-UHFFFAOYSA-N
rxn:4:197051:227794,CN1CCCC(c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)C1,NHRBNTAYECGJEH-UHFFFAOYSA-N
rxn:4:199247:227779,CN1C(=O)CCc2cc(-c3cc([N+](=O)[O-])cc(F)c3F)ccc21,KNLIWPUHMDXGIA-UHFFFAOYSA-N
rxn:4:199288:227779,CN1C(=O)CCc2c1ccc(-c1cc([N+](=O)[O-])cc(F)c1F)c2F,BMGQMJYRZJHFSY-UHFFFAOYSA-N
rxn:4:199373:227779,O=C1CCc2cc(-c3cc([N+](=O)[O-])cc(F)c3F)cc3c2N1CC3,MPFLHDBPZQWDEN-UHFFFAOYSA-N
rxn:4:202978:226037,COc1c(C(F)(F)F)ccc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)c1F,SMGOLOIAPKQKDO-UHFFFAOYSA-N
rxn:4:203190:229109,Cc1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)n1,DWDUNCLPILYHTQ-UHFFFAOYSA-N
rxn:4:204091:226064,Cc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C2CCCCC2)cc1,DIDUMRSDNCFJDY-UHFFFAOYSA-N
rxn:4:205059:223009,N#Cc1cc(C(F)(F)F)ncc1-c1cc(Cl)cc(C2CCNCC2)c1,AYEJETGEPQFUJQ-UHFFFAOYSA-N
rxn:4:205064:222998,N#Cc1nc(C(F)(F)F)ccc1-c1cc(F)cc(C2CCCNC2)c1,ORBIGVYLRZYJDO-UHFFFAOYSA-N
rxn:4:205069:223005,CCCc1nnc(-c2ccc(C3CCNCC3)c(Cl)c2)s1,BOYATNMCDHXDOX-UHFFFAOYSA-N
rxn:4:205264:227044,Cc1cc([N+](=O)[O-])cc(-c2ccc(C(=O)C3CC3)cc2)c1C#N,WSDAQXWSMJRQDS-UHFFFAOYSA-N
rxn:4:208261:223004,C#Cc1ncc(-c2ccc(C3CCNCC3)c(F)c2)c(C)n1,NSBXMSDKFIJXFT-UHFFFAOYSA-N
rxn:4:208261:225945,C#Cc1ncc(-c2ccc(C#CC(F)(F)F)c(F)c2)c(C)n1,XYZFFMBCNZXXNO-UHFFFAOYSA-N
rxn:4:208963:226340,N#Cc1cc(-c2cnc(C3CCC3)cn2)c(Cl)c(C2CC2)c1,LTMOKRBUCLDKAT-UHFFFAOYSA-N
rxn:4:210242:225881,Cc1nc2cc(-c3ccc(C4CCOCC4)nc3F)cc([N+](=O)[O-])c2o1,ORFZWMQGQMUFQO-UHFFFAOYSA-N
rxn:4:223062:195172,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)cc(F)c1Cl,DVFVZJMFPZOLGK-UHFFFAOYSA-N
rxn:4:173871:223364,COc1cc(OCC(F)(F)C(F)F)ccc1-c1cnc2[nH]cc(F)c2c1,NUXPGCXMCHMPBQ-UHFFFAOYSA-N
rxn:4:176907:226327,Cc1cc(-c2ccc(C3(C#N)CC3)cc2Cl)ccc1OCC(F)(F)F,GRDKFOOWZQBUAI-UHFFFAOYSA-N
rxn:4:178950:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)ccc1C(F)(F)C(F)(F)F,NRKARXKAWJMVHU-UHFFFAOYSA-N
rxn:4:179816:223312,O=C(c1ccc(-c2ccc(C3CNC3)cc2)cc1)C1CCC1,TYGHINCOYGWMNK-UHFFFAOYSA-N
rxn:4:180949:223130,OC1CN(Cc2ccc(-c3cccc(C(F)F)c3Cl)cc2)C1,OOHQFHXQKPZEND-UHFFFAOYSA-N
rxn:4:181877:226155,CC(=O)c1cc(-c2ccc(C3OCCCO3)cc2)cc(C2CC2)c1,MDAXFSWQLVXBJY-UHFFFAOYSA-N
rxn:4:188124:223240,FC(F)(F)COc1ccnc(-c2ccc(C3CCNC3)nc2)c1,RJQNGGJFYIMODZ-UHFFFAOYSA-N
rxn:4:188678:225314,COc1cc(C(F)(F)F)c([N+](=O)[O-])cc1-c1cnc(-c2ccc(F)cc2)nc1Cl,UNADYZTUGJLOAX-UHFFFAOYSA-N
rxn:4:188687:226155,CC(=O)c1cc(-c2ccc(OCC3CC3)cn2)cc(C2CC2)c1,VTRZZEYBQBIJAE-UHFFFAOYSA-N
rxn:4:188828:226336,CCOC(=O)c1cnc(-c2cc(C#N)c(C3CC3)cc2Cl)cc1C,INJVPLVEGBCQAW-UHFFFAOYSA-N
rxn:4:194579:223350,CCNCc1cncc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1,WQDQVWQITSAFCA-UHFFFAOYSA-N
rxn:4:194579:225454,CN1CC=C(c2ccc(-c3ccc(-c4cc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)cc3)cc2)CC1,LCKNABJNANBLIX-UHFFFAOYSA-N
rxn:4:194969:223005,N#Cc1cc(Cl)c(-c2ccc(C3CCNCC3)c(Cl)c2)cc1F,ZSIRRRVDKUXSMW-UHFFFAOYSA-N
rxn:4:195159:223139,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)nc2)c(Cl)cc1F,DWBQGTXRDZVZHC-UHFFFAOYSA-N
rxn:4:195324:223005,CSc1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)n1,TWQTVYRFMSMVIJ-UHFFFAOYSA-N
rxn:4:195349:225677,COc1cc(-c2ccc(C3CCCCC3)nc2F)c(F)cn1,SLDJADVXHMEGNL-UHFFFAOYSA-N
rxn:4:195697:223200,Cc1c(-c2ccc(C3CCNC3)cc2)cncc1C(F)(F)F,MWNVOQOYJDQTDB-UHFFFAOYSA-N
rxn:4:196004:226572,CC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)cc(C)n1,XWASFHBEYBFOAW-UHFFFAOYSA-N
rxn:4:196510:227793,Cc1nc(C2COC2)ccc1-c1cc([N+](=O)[O-])c(Cl)cc1F,XPPYCFDIVLHQIC-UHFFFAOYSA-N
rxn:4:196866:228230,Fc1nc(C2CCCOC2)ccc1-c1cnc(C2CC2)c(Cl)c1,JGPXEUYLWDYNEZ-UHFFFAOYSA-N
rxn:4:196952:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(C2CCCN2C)cc1,VDQKJDZHZYXNEL-UHFFFAOYSA-N
rxn:4:196952:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(C2CCCN2C)cc1,WUHWGJCELWLLHD-UHFFFAOYSA-N
rxn:4:197051:227783,CN1CCCC(c2ccc(-c3cc([N+](=O)[O-])c(F)cc3F)cc2)C1,DXOCVSVYTCCFFQ-UHFFFAOYSA-N
rxn:4:197051:227792,CN1CCCC(c2ccc(-c3ccnc(C(F)(F)F)c3F)cc2)C1,BWXMHMOJBFVLCZ-UHFFFAOYSA-N
rxn:4:197051:228955,CN1CCCC(c2ccc(-c3cc(F)c(F)cc3Cl)cc2)C1,DJMFZNGRQZFOOS-UHFFFAOYSA-N
rxn:4:198827:222732,O=C(NC1CCCCC1)c1ccc(-c2cnc3cc(F)c(F)cc3c2)cc1,ACZLIQJTTNQVNI-UHFFFAOYSA-N
rxn:4:201290:226155,CCCCOc1cnc(-c2cc(C(C)=O)cc(C3CC3)c2)cn1,NAAHLRPBNBAPHL-UHFFFAOYSA-N
rxn:4:201939:224001,Cc1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)ccc1OCC(=O)N1CCN(C)CC1,XDWTZSDREONJRB-UHFFFAOYSA-N
rxn:4:203067:228018,Fc1cc(-c2cnc(OCC3CCO3)cn2)cc(C2CC2)c1,XPJMCGOOEWALDE-UHFFFAOYSA-N
rxn:4:204984:225201,N#Cc1cc(C#N)cc(-c2ccc(OC3CCCC3)c(F)c2F)c1,HQOKQVAIOMUAQA-UHFFFAOYSA-N
rxn:4:205024:227092,Cc1nc(C2CCC2)ccc1-c1cc([N+](=O)[O-])ccc1C#N,AADCOAREHYDOCW-UHFFFAOYSA-N
rxn:4:205055:222998,N#Cc1cc(C(F)(F)F)cnc1-c1cc(F)cc(C2CCCNC2)c1,IGCWIPRRZNNOQE-UHFFFAOYSA-N
rxn:4:205059:222998,N#Cc1cc(C(F)(F)F)ncc1-c1cc(F)cc(C2CCCNC2)c1,GTNQFVCLQBTHOV-UHFFFAOYSA-N
rxn:4:208319:222803,Cc1cc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(C#N)nc1Cl,ZWZZLWHZZVEKDZ-UHFFFAOYSA-N
rxn:4:208994:223000,Cc1nc(C2CC2)ncc1-c1ccc(C2CCCNC2)c(F)c1,HGUGPTZUIDGRNW-UHFFFAOYSA-N
rxn:4:209291:226155,CC(=O)c1cc(-c2cnc(C(C)C)nc2C)cc(C2CC2)c1,BNAVOBMAIXXFHB-UHFFFAOYSA-N
rxn:4:209724:228216,Clc1c(-c2cnc(C3CCCCC3)cn2)cncc1C1CC1,ZBHHNHMVQNPFIU-UHFFFAOYSA-N
rxn:4:209873:227779,CC1CCCN(c2ncc(-c3cc([N+](=O)[O-])cc(F)c3F)cc2F)C1,QKONKRJMRDMTFA-UHFFFAOYSA-N
rxn:4:210434:225677,Cc1c[nH]c2cc(-c3ccc(C4CCCCC4)nc3F)cc([N+](=O)[O-])c12,SYVWAPLUZWYRCY-UHFFFAOYSA-N
rxn:4:175939:223199,COc1cc(COC2CCCCO2)ccc1-c1cccc(C2CCNC2)c1,TWUZNNNXXZFMGZ-UHFFFAOYSA-N
rxn:4:178682:226327,N#CC1(c2ccc(-c3ccc(OC(F)F)c(F)c3F)c(Cl)c2)CC1,QGQKFINSMMSRDX-UHFFFAOYSA-N
rxn:4:180900:223147,C#Cc1c(F)cc(-c2ccc(C3CNCCO3)cc2)cc1F,DGQUYBIJXSPZTB-UHFFFAOYSA-N
rxn:4:181631:226155,CC(=O)c1cc(-c2ccc(C3CC(=O)C3)c(F)c2)cc(C2CC2)c1,TVSNPJZIDYEDGJ-UHFFFAOYSA-N
rxn:4:181683:223240,c1cc(C2CCNC2)ncc1-c1cc(C2CCCC2)co1,CWLPSRAUIGYARB-UHFFFAOYSA-N
rxn:4:182029:226155,CC(=O)c1cc(-c2ccc(C3CCCCC3=O)cc2)cc(C2CC2)c1,OABGLRLPEIYXQO-UHFFFAOYSA-N
rxn:4:182525:223000,Cc1c(F)ccc(-c2ccc(C3CCCNC3)c(F)c2)c1Cl,GRDGRIJNHIXGOI-UHFFFAOYSA-N
rxn:4:182541:223059,Cc1cc(F)c(-c2ccc(N3CCNCC3)cc2Cl)cc1F,STQDDQODFPNLOB-UHFFFAOYSA-N
rxn:4:183044:223200,Cc1cc2c(cc1-c1ccc(C3CCNC3)cc1)OCCO2,OAHVYGKNDHSBGU-UHFFFAOYSA-N
rxn:4:188744:227779,COc1cc(-c2cc([N+](=O)[O-])cc(F)c2F)ccc1C=C[N+](=O)[O-],IFKJFWQNOIHGDX-UHFFFAOYSA-N
rxn:4:191209:222803,CC(=O)Oc1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)s1,SMZIFXDVIBPTSA-UHFFFAOYSA-N
rxn:4:194923:224846,CCC1CCC(c2ccc(-c3cc(C(C)=O)on3)cc2)CC1,NFLNCMZSPUWIIX-UHFFFAOYSA-N
rxn:4:194945:225454,CN1CC=C(c2ccc(-c3ccc(Cl)cc3C#N)cc2)CC1,ZHMQOUFPXZNYNU-UHFFFAOYSA-N
rxn:4:195140:222925,FC(F)(F)c1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cn1,DIMUPHRLIFXCGW-UHFFFAOYSA-N
rxn:4:195496:223131,FS(F)(F)(F)(F)c1ccc(-c2ccc(N3CCNCC3)cc2)cn1,DJEOLLMTODZCIV-UHFFFAOYSA-N
rxn:4:195638:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc(C)c([N+](=O)[O-])c(Cl)c1,VFCMSIBYFHCPQB-UHFFFAOYSA-N
rxn:4:195655:223200,Cc1cc(C(F)(F)F)cc(-c2ccc(C3CCNC3)cc2)n1,UXHALPZOMOTUMB-UHFFFAOYSA-N
rxn:4:196115:226438,Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCCC3)cc2F)c1C,VBLSZCGHSQPMPB-UHFFFAOYSA-N
rxn:4:196120:223000,Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C2CCCNC2)c(F)c1,SDFAXMYVAIYGJS-UHFFFAOYSA-N
rxn:4:196226:226085,Cc1cc(C2CC2)ncc1-c1ccc2c(c1)CCC(C)(C)O2,GXNNQJGLYCCTCC-UHFFFAOYSA-N
rxn:4:196285:223362,C/C(=N\O)c1ccc(-c2cncc(C3(C)CC3(F)F)c2)cc1,YIULTBKTJKVRLE-SRZZPIQSSA-N
rxn:4:196285:227517,CC1(c2cncc(-c3ccc(OC4COC4)nc3)c2)CC1(F)F,DHXLAJCCKTZAPI-UHFFFAOYSA-N
rxn:4:196327:223306,FC1(F)CC(c2ccc(-c3ccc4c(c3)CNCC4)cn2)C1,ZXLHYPYDCKDWDW-UHFFFAOYSA-N
rxn:4:196952:227661,Cc1cc(C(F)(F)F)ccc1-c1ccc(C2CCCN2C)cc1,IVOSHFUFQKEGDA-UHFFFAOYSA-N
rxn:4:197015:227794,CN1CCO[C@H](c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)C1,TWWZWFJXXPULBU-INIZCTEOSA-N
rxn:4:197051:228524,CN1CCCC(c2ccc(-c3cnc4c(c3)CCC4)cc2)C1,XPLZTIKHIAINNB-UHFFFAOYSA-N
rxn:4:197051:228958,CN1CCCC(c2ccc(-c3ccc(F)c(F)c3Cl)cc2)C1,QAXQQJGKMOEWIP-UHFFFAOYSA-N
rxn:4:197711:223252,CC12CC(c3ccc(-c4cc(F)c5c(c4)NCCO5)cn3)(C1)C2,BNFSTFYWAZPITF-UHFFFAOYSA-N
rxn:4:198289:223000,Cc1c(Cl)ncc(-c2ccc(C3CCCNC3)c(F)c2)c1F,ZCOPJMWRWGGHGL-UHFFFAOYSA-N
rxn:4:205036:227441,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1cnc(C2CCC2)c(Cl)c1,JNRDTHVOBHEWDR-UHFFFAOYSA-N
rxn:4:205264:226382,Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCCCC3)nc2)c1C#N,MYVGBYCFWJVQNI-UHFFFAOYSA-N
rxn:4:208261:222457,C#Cc1ncc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c(C)n1,RAPIKXIBSMYLEH-UHFFFAOYSA-N
rxn:4:208261:225923,C#Cc1ncc(-c2cnc(OC3CCCC3)nc2Cl)c(C)n1,FTQMHIMVFPROJI-UHFFFAOYSA-N
rxn:4:210791:225881,Fc1nc(C2CCOCC2)ccc1-c1ccc(-c2cn3c(n2)CCC3)cc1,YPXDEBPFLWBGIQ-UHFFFAOYSA-N
rxn:4:217946:222699,FC(F)(F)c1cc(-c2cnc3nonc3c2)ccc1C1CCCNC1,ZPRHYVKSMSPVES-UHFFFAOYSA-N
rxn:4:176433:223312,Fc1c(OCC(F)(F)F)ccc(-c2ccc(C3CNC3)cc2)c1Cl,VKFGAWBRERRDID-UHFFFAOYSA-N
rxn:4:179842:223306,O=C(c1ccc(-c2ccc3c(c2)CNCC3)c(F)c1)C1CCC1,CUYKCZWWNWMBTL-UHFFFAOYSA-N
rxn:4:179842:223307,O=C(c1ccc(-c2ccc3c(c2)CCNC3)c(F)c1)C1CCC1,RQOSJRJFKRCPFD-UHFFFAOYSA-N
rxn:4:180108:223241,Fc1cc(-c2cncc(C3CCNC3)c2)cc(Cl)c1OC1CCCC1,ZGJSRVILDYXNMZ-UHFFFAOYSA-N
rxn:4:180994:223059,Fc1c(-c2ccc(N3CCNCC3)cc2Cl)ccc(C(F)F)c1Cl,OJWBWBSAWPJTBS-UHFFFAOYSA-N
rxn:4:181536:226155,CC(=O)c1cc(-c2ccc(C3COC3)c(Cl)c2)cc(C2CC2)c1,VCZUJWMBEJKLGC-UHFFFAOYSA-N
rxn:4:182087:223312,Cc1cc(C2CCOCC2)ccc1-c1ccc(C2CNC2)cc1,DGRLHEXSCQGMLR-UHFFFAOYSA-N
rxn:4:183133:223139,c1cc(C2CCNCC2)ncc1-c1ccc2c(c1)CCCCS2,OAQLASXQDCCDLL-UHFFFAOYSA-N
rxn:4:183279:223170,FC1(F)C2Cc3ccc(-c4cnc(C5CCCNC5)nc4)cc3C21,UICRXBJWMZRSQZ-UHFFFAOYSA-N
rxn:4:191603:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(N=C=S)cc1C(F)(F)F,UJSILRFEOUDKSJ-UHFFFAOYSA-N
rxn:4:191878:222925,FC(F)(F)c1cc(-c2cnc(OC3CCC3)s2)ccc1C1CNC1,UPUFWYTWSHRGGR-UHFFFAOYSA-N
rxn:4:192503:226323,CN(C)Cc1cc(F)cc(-c2ccc(OC3CCCC3)nc2)c1,TYGHBMUZQFESIF-UHFFFAOYSA-N
rxn:4:194579:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4cc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)cc3)cc2)N1,OBQUPRVGCASGLR-UHFFFAOYSA-N
rxn:4:194579:223361,CC(=NO)c1ccc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc1,OXDRDEBCSPZSKB-UHFFFAOYSA-N
rxn:4:194581:223240,FS(F)(F)(F)(F)c1ccc2cc(-c3cccc(-c4ccc(C5CCNC5)nc4)c3)[nH]c2c1,VIVPESTUXQNLJH-UHFFFAOYSA-N
rxn:4:195151:223127,Fc1cc(CNC2CC2)ccc1-c1ccc(N=C=S)c(F)c1F,DZYDAYWFBLBWMT-UHFFFAOYSA-N
rxn:4:195249:223059,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(N3CCNCC3)cc2Cl)c1F,WVDDDGZCNSXJRD-UHFFFAOYSA-N
rxn:4:195262:222985,Cc1nc(C2CCCNC2)ccc1-c1ncc(C2CC2)s1,ZSNQEOFSQGWVTR-UHFFFAOYSA-N
rxn:4:195268:225454,CN1CC=C(c2ccc(-c3cc(C4CC4)no3)cc2)CC1,JHDGURLLNUMWII-UHFFFAOYSA-N
rxn:4:195599:227299,Cc1cc(-c2cc(F)cc(CN(C)C)c2)c(Cl)cc1N=C=S,MNNLESMNXOAVIR-UHFFFAOYSA-N
rxn:4:195653:225881,CC(F)(F)c1cnc(Cl)c(-c2ccc(C3CCOCC3)nc2F)c1,JFHVGLYGFOABLL-UHFFFAOYSA-N
rxn:4:196673:227791,Fc1nc(C2CCCC2)ccc1-c1cnc(Cl)c(C(F)(F)F)c1,PNMVCVDNDBMWDH-UHFFFAOYSA-N
rxn:4:196845:227793,O=[N+]([O-])c1cc(-c2ccc(C3CCSCC3)nc2)c(F)cc1Cl,OLUAUNUPMMDVCN-UHFFFAOYSA-N
rxn:4:196952:227054,COc1cc(-c2ccc(C3CCCN3C)cc2)ccc1C1CC1,NIPJVSVYFUCYMZ-UHFFFAOYSA-N
rxn:4:196952:228331,CCOc1nccc(-c2ccc(C3CCCN3C)cc2)c1Cl,PJDLKUVLMUQCEJ-UHFFFAOYSA-N
rxn:4:197051:228492,CN1CCCC(c2ccc(-c3c(F)cc(F)c(F)c3F)cc2)C1,ROGLPZLBFQLWDL-UHFFFAOYSA-N
rxn:4:197051:228940,CN1CCCC(c2ccc(-c3ccc(F)c(F)c3F)cc2)C1,NRKPTPVOVKNRBV-UHFFFAOYSA-N
rxn:4:197867:227779,O=C1CC=C(c2c[nH]c3cc(-c4cc([N+](=O)[O-])cc(F)c4F)ccc23)CC1,GOVGSBVYPKZLRI-UHFFFAOYSA-N
rxn:4:203190:223447,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(=O)[nH]1,GIGFNDLURYIQHT-UHFFFAOYSA-N
rxn:4:217277:225183,N#Cc1c(-c2ccc(OC3CCCCC3)nc2F)cnc2[nH]ccc12,BWYGGJNVOIHWIB-UHFFFAOYSA-N
rxn:4:217545:225183,Cc1c([N+](=O)[O-])cc(-c2ccc(OC3CCCCC3)nc2F)c2[nH]ncc12,GSTFXEDPGFVQQD-UHFFFAOYSA-N
rxn:4:217545:225454,Cc1c([N+](=O)[O-])cc(-c2ccc(C3=CCN(C)CC3)cc2)c2[nH]ncc12,HAUBYKSSARWBBQ-UHFFFAOYSA-N
rxn:4:177484:228101,N#Cc1cc(C#N)cc(-c2ccc(OCC3CC(F)(F)C3)cc2)c1,QECKUQVZZGUXDV-UHFFFAOYSA-N
rxn:4:179503:226327,CCOc1ccc(-c2ccc(C3(C#N)CC3)cc2Cl)c(C)c1,YPGITNSORZCZFP-UHFFFAOYSA-N
rxn:4:179827:223306,c1cc(-c2ccc3c(c2)CNCC3)ccc1OC1CCOC1,MJIPBPDDWLMPCU-UHFFFAOYSA-N
rxn:4:181020:223059,Fc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(N2CCNCC2)cc1Cl,KNFVVODWLIXMTH-UHFFFAOYSA-N
rxn:4:181026:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cc(F)c(C(F)(F)F)cc1F,WDDWJJQKAQCURN-UHFFFAOYSA-N
rxn:4:181259:223061,Fc1cnc(C2CCNCC2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,KPZXTBHPIOBHGK-UHFFFAOYSA-N
rxn:4:181405:223005,Clc1cc(C2CC2)ccc1-c1ccc(C2CCNCC2)c(Cl)c1,NBMAQYXAUYRYGX-UHFFFAOYSA-N
rxn:4:181646:227737,Cc1cc(C(F)(F)F)ncc1-c1ccc(C2CC(=O)C2)cc1F,AQORHBROJOACHD-UHFFFAOYSA-N
rxn:4:182469:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(F)c(Cl)cc1F,ZNGDXHGEQGKCEA-UHFFFAOYSA-N
rxn:4:182535:222925,Cc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc(F)c1Cl,MYHAJFONDSYAKY-UHFFFAOYSA-N
rxn:4:182567:223059,Cc1c(F)c(F)c(F)c(F)c1-c1ccc(N2CCNCC2)cc1Cl,MYPZJFYJHDUULS-UHFFFAOYSA-N
rxn:4:183200:223200,CC1(C)Cc2ccc(-c3ccc(C4CCNC4)cc3)cc2C1,XCVXSIFLJSBZNV-UHFFFAOYSA-N
rxn:4:188725:223312,Clc1cc(-c2ccc(C3CNC3)cc2)cnc1OCC1CC1,ISGJKCIPGOGFHP-UHFFFAOYSA-N
rxn:4:191246:223002,CCOc1ncc(-c2ccc(C3CCNCC3)cc2F)s1,ZTCFTOROEBCLQZ-UHFFFAOYSA-N
rxn:4:191371:222925,N#CCc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(F)c1F,JQWXRFZYFZRAFM-UHFFFAOYSA-N
rxn:4:193120:225314,Cc1ccc(C(=O)N2CC(F)(F)C2)cc1-c1cnc(-c2ccc(F)cc2)nc1Cl,YIBNHKRFSNMVFJ-UHFFFAOYSA-N
rxn:4:194579:223435,COC(=O)c1ccc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)[nH]1,QDMIAWFTJHBWJG-UHFFFAOYSA-N
rxn:4:195004:223059,N#Cc1cc(F)c(F)c(-c2ccc(N3CCNCC3)cc2Cl)c1,HWQNWDHWUAMPKX-UHFFFAOYSA-N
rxn:4:195045:225454,CN1CC=C(c2ccc(-c3cc(C(F)F)ccn3)cc2)CC1,IQFBVPGVQMVUSQ-UHFFFAOYSA-N
rxn:4:195207:222925,FC(F)(F)c1cc(Cl)c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cn1,XLFZAMMFHZCCMN-UHFFFAOYSA-N
rxn:4:195542:223170,Cc1cc(-c2cnc(C3CCCNC3)nc2)ccc1N=C=S,XOJBQTLNAVLOBS-UHFFFAOYSA-N
rxn:4:195844:223139,FC1(F)CC(c2csc(-c3ccc(C4CCNCC4)nc3)n2)C1,GZIICMVVFXYTHB-UHFFFAOYSA-N
rxn:4:196226:226174,Cc1cc(C2CC2)ncc1-c1ccc(C2CCCCC2)nc1,CCALWHFPPGFSQD-UHFFFAOYSA-N
rxn:4:196226:226489,Cc1cc(C2CC2)ncc1-c1ccc(OCCCF)c(Cl)c1,MKGHWMUWGBPCML-UHFFFAOYSA-N
rxn:4:196327:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CC(F)(F)C3)nc2)c1,XYTXPIYQOOXUMQ-UHFFFAOYSA-N
rxn:4:196868:227321,COc1c(-c2ccc(C3CCCCO3)nc2F)cncc1C1CC1,OQNAFVMSPGXDKN-UHFFFAOYSA-N
rxn:4:196952:228360,CC(C)c1ncc(-c2ccc(C3CCCN3C)cc2)c(Cl)n1,SAXURTZRLHJOIM-UHFFFAOYSA-N
rxn:4:197051:227787,CN1CCCC(c2ccc(-c3cc(Cl)c(F)c([N+](=O)[O-])c3)cc2)C1,IBVFPWSJVNUHFY-UHFFFAOYSA-N
rxn:4:197051:228947,CN1CCCC(c2ccc(-c3cc(F)c(Cl)c(F)c3)cc2)C1,ZTEHEJSYDYCVTH-UHFFFAOYSA-N
rxn:4:197791:227794,CCN1CCc2cc(-c3cc([N+](=O)[O-])cc(Cl)c3F)ccc2C1,YHOPMJALZMUDJE-UHFFFAOYSA-N
rxn:4:198827:224758,O=C(c1ccc(-c2cnc3cc(F)c(F)cc3c2)cc1Cl)N1CCOCC1,JPICLFMBIJQKJZ-UHFFFAOYSA-N
rxn:4:203006:226155,CC(=O)c1cc(-c2cnc(OCC3CC3)cn2)cc(C2CC2)c1,AQPICJURKLAXMO-UHFFFAOYSA-N
rxn:4:205971:226336,N#Cc1cc(-c2cnc(-c3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(Cl)cc1C1CC1,WNWUSLUDQUZSOY-UHFFFAOYSA-N
rxn:4:206012:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(-c3ccccc3C(F)(F)F)nc(Cl)n2)c1,LZLRZWXNYFZEJI-UHFFFAOYSA-N
rxn:4:215320:224777,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(C2CCCC2)c(C(F)(F)F)c1,PGFPVYFPIISIEY-UHFFFAOYSA-N
rxn:4:217340:225802,O=[N+]([O-])c1cc(-c2ccc(OC3CCCC3)nc2F)c2[nH]cnc2c1,AIYRLBMYKPVENS-UHFFFAOYSA-N
rxn:4:220659:222699,FC(F)(F)c1cc(-c2cn(-c3cnc(Cl)cn3)cn2)ccc1C1CCCNC1,UKTZCHYNXWSJNJ-UHFFFAOYSA-N
rxn:4:225837:184346,CCOC(=O)CC(=O)c1cc(-c2cnc(-c3ccc(Cl)cc3)nc2)cnc1Cl,YOHGCIBABVJQFX-UHFFFAOYSA-N
rxn:4:176507:223312,O=C(Cc1ccc(-c2ccc(C3CNC3)cc2)cc1F)C(F)(F)F,CTXJOSSDCABXKJ-UHFFFAOYSA-N
rxn:4:177484:229024,Cc1cc(-c2ccc(OCC3CC(F)(F)C3)cc2)cnc1C,XZAYMKSQXAHINB-UHFFFAOYSA-N
rxn:4:178620:223166,FC(F)Sc1ccc(-c2ccc(N3CCNCC3)nc2)cc1,YSWWUYKTFRYFOA-UHFFFAOYSA-N
rxn:4:179167:225674,Fc1cc(C2CCCCC2)ncc1-c1ccc(Cl)c(CC2CO2)c1,UMHIFKJHDHZSQM-UHFFFAOYSA-N
rxn:4:179716:226340,N#Cc1cc(-c2ccc(OC3CCC3)cc2F)c(Cl)c(C2CC2)c1,SYNHHDXURCVKDY-UHFFFAOYSA-N
rxn:4:181116:223142,CSc1c(F)ccc(-c2ccc(C3CCCNC3)nc2)c1Cl,FJZFASFXMGDSFM-UHFFFAOYSA-N
rxn:4:181401:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(C2CCC2)co1,MJLRRJKYFNKLQP-UHFFFAOYSA-N
rxn:4:181401:225852,Clc1nc(C2CCCCC2)ncc1-c1cc(C2CCC2)co1,LNSZUXICCIVTFM-UHFFFAOYSA-N
rxn:4:181664:223312,Fc1cc(-c2ccc(C3CNC3)cc2)cc(F)c1C1OCCO1,IXACQKLGEOFADS-UHFFFAOYSA-N
rxn:4:181917:228216,Cc1cc(-c2cncc(C3CC3)c2Cl)c(F)cc1C1OCCO1,NXQLCDIGHSHQBQ-UHFFFAOYSA-N
rxn:4:182074:222985,Cc1cc(-c2ccc(C3CCCNC3)nc2C)ccc1-c1cc(F)ccc1C,FGPDTCZPLBNNNZ-UHFFFAOYSA-N
rxn:4:182772:226025,O=C1CCCc2sc(-c3cnc(OC4CCOC4)nc3Cl)cc21,IMNSTUDGXIXIIM-UHFFFAOYSA-N
rxn:4:184535:225835,COC(=O)Cc1cc(OC)c(C#N)c(-c2cnc(-c3ccc(F)cc3)nc2)c1,ZVAKWFYNCBTUCG-UHFFFAOYSA-N
rxn:4:188056:222925,CCOC(=O)c1ncc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)s1,SZXOOBSPUVGAKU-UHFFFAOYSA-N
rxn:4:189246:227547,Cc1cc(-c2ccc(CCN(C)C)cc2F)ccc1OC(F)F,UWBVGJYYWOYXRR-UHFFFAOYSA-N
rxn:4:191371:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(CC#N)c(F)c1F,DCIIWYGFOGWJLQ-UHFFFAOYSA-N
rxn:4:191488:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(C=CC#N)c(F)c1,WNEDAQHFAYWASR-UHFFFAOYSA-N
rxn:4:192843:223199,Fc1cc(C(F)(F)F)ccc1-c1ccc(-c2cccc(C3CCNC3)c2)cn1,MGZRRJMDRMMANR-UHFFFAOYSA-N
rxn:4:194006:223200,FC(F)(F)Oc1ccc2nc(-c3ccc(C4CCNC4)cc3)sc2c1,TXJPDKQPFCBJME-UHFFFAOYSA-N
rxn:4:194517:223128,Fc1cc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)ccc1CNC1CC1,LFJYCPFFHQVPCO-UHFFFAOYSA-N
rxn:4:194935:225677,C#Cc1cc(Cl)c(-c2ccc(C3CCCCC3)nc2F)cn1,HVBIDXXGUXOUKR-UHFFFAOYSA-N
rxn:4:195150:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1c(F)cc(N=C=S)cc1F,VBSBILIRQJKLMY-UHFFFAOYSA-N
rxn:4:195172:228140,CC(c1ccc(-c2cc(F)c(Cl)c([N+](=O)[O-])c2)s1)N(C)C,CPWZDLVALDNADV-UHFFFAOYSA-N
rxn:4:195598:223083,Cc1nc(N2CCC(O)C2)ncc1-c1ccc(N=C=S)c(C)c1Cl,QBIUMPDKEHYLSI-UHFFFAOYSA-N
rxn:4:195600:227306,Cc1cc(N=C=S)c(F)cc1-c1ccc(OC(C)C)nc1C,SQKGZTBHQYAFTM-UHFFFAOYSA-N
rxn:4:195803:223002,Fc1cc(C2CCNCC2)ccc1-c1cnc(C2(F)CCC2)s1,DBJIFDHQBIXNIN-UHFFFAOYSA-N
rxn:4:196674:223312,Fc1c(-c2ccc(C3CNC3)cc2)ccnc1C1CCCC1,XVPNUGZCFHUCRL-UHFFFAOYSA-N
rxn:4:196923:227682,N#Cc1cc(-c2ccc(N3CCCCC3=O)cc2Cl)cc([N+](=O)[O-])c1,MVYHPCAIOYZVKF-UHFFFAOYSA-N
rxn:4:197051:228365,CN1CCCC(c2ccc(-c3cnc(C4CC4)nc3Cl)cc2)C1,JMNGXVJYKLVOCF-UHFFFAOYSA-N
rxn:4:198433:222803,FC(F)(F)c1cc(-c2ccc(Cl)c3ncoc23)ccc1C1CCNC1,BYYUMHKBDHURQA-UHFFFAOYSA-N
rxn:4:203146:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(OCC2CCC2)cn1,MSPAZKBWNLCOTO-UHFFFAOYSA-N
rxn:4:205010:224778,N#CCc1cc(-c2c(F)cc(OC3CCOCC3)cc2F)cnc1F,LZWVJXHIVUDJCP-UHFFFAOYSA-N
rxn:4:205660:226340,N#Cc1cc(-c2cnc(OC3CCSC3)nc2)c(Cl)c(C2CC2)c1,XEIOIKCRLDBZAG-UHFFFAOYSA-N
rxn:4:207036:224851,CN1CCCN(Cc2ccc(-c3ccc(C=Cc4ccccc4)cc3)cc2)CC1,XBQNLTUGEUYIBF-UHFFFAOYSA-N
rxn:4:208444:222803,CC(F)(F)c1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,YFRXCBGLQMDATC-UHFFFAOYSA-N
rxn:4:208491:222803,FC(F)(F)c1cc(-c2nnc(C3CCC3)s2)ccc1C1CCNC1,FEORHSHYIVYQFR-UHFFFAOYSA-N
rxn:4:209516:226155,CC(=O)c1cc(-c2cnc(C3CC(=O)CCO3)cn2)cc(C2CC2)c1,XVXPPSSVEFTYQL-UHFFFAOYSA-N
rxn:4:216386:222699,N#Cc1ncc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cn1,HYEIVJFJSZDNBF-UHFFFAOYSA-N
rxn:4:217277:224424,CCCC1CCC(c2ccc(-c3cnc4[nH]ccc4c3C#N)cc2)CC1,CIEDHMZISVJLPR-UHFFFAOYSA-N
rxn:4:217277:225201,N#Cc1c(-c2ccc(OC3CCCC3)c(F)c2F)cnc2[nH]ccc12,PXKMNQLBDOHMGG-UHFFFAOYSA-N
rxn:4:217340:223074,O=[N+]([O-])c1cc(-c2cccc(NS(=O)(=O)C3CC3)c2)c2[nH]cnc2c1,OOFITAQEKYYABJ-UHFFFAOYSA-N
rxn:4:174346:223241,COc1cc(OCc2ccccc2)cc(OC)c1-c1cncc(C2CCNC2)c1,GAPAGNRGYAHJQO-UHFFFAOYSA-N
rxn:4:179612:222925,O=S(=O)(c1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc1)C1CC1,HRLZVUSMWLVGLL-UHFFFAOYSA-N
rxn:4:179807:223360,CNCc1cccc(-c2ccc(C(=O)C3CC3)cc2C)c1F,PFHCPRDKODQYEB-UHFFFAOYSA-N
rxn:4:179843:223306,O=C(c1ccc(-c2ccc3c(c2)CNCC3)cc1F)C1CCC1,PCYUNFDIINNOIT-UHFFFAOYSA-N
rxn:4:180694:226327,COC(=O)C1CCc2cc(-c3ccc(C4(C#N)CC4)cc3Cl)ccc2O1,LGKKNXXIHWHPJP-UHFFFAOYSA-N
rxn:4:181108:222925,COc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc(Cl)c1F,FYHBJPKXGXVCET-UHFFFAOYSA-N
rxn:4:181180:222925,C#Cc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(C)c1,CHTSQRWTJUHEHI-UHFFFAOYSA-N
rxn:4:181594:222925,FC(F)(F)c1cc(-c2ccc(C3OCCO3)cc2)ccc1C1CNC1,JGUHEBSLLGXKIQ-UHFFFAOYSA-N
rxn:4:182473:223004,Fc1cc(-c2ccc(F)c(F)c2Cl)ccc1C1CCNCC1,KKQAZJWIAPGTGU-UHFFFAOYSA-N
rxn:4:182529:222925,Cc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc(Cl)c1F,ZFIMANXMJBHHHN-UHFFFAOYSA-N
rxn:4:182539:225454,Cc1c(-c2ccc(C3=CCN(C)CC3)cc2)ccc(F)c1F,AQLKEUJSOLIJRE-UHFFFAOYSA-N
rxn:4:185749:225839,Fc1cccc(-c2ncc(-c3cc(OC(C(F)(F)F)C(F)(F)F)ccn3)cn2)c1,MGLSVEWKSNMHPP-UHFFFAOYSA-N
rxn:4:188517:226336,Cc1cc(-c2cc(C#N)c(C3CC3)cc2Cl)ncc1OCCF,YOWZEXLYYOKHHC-UHFFFAOYSA-N
rxn:4:192485:227628,CCC(C)c1ccc(-c2cnc(C3CCC3)nc2Cl)c(F)n1,DNXXRZNKSHNCDE-UHFFFAOYSA-N
rxn:4:192510:227491,CC(=O)c1cc(-c2cnc(OC3CCC3)nc2)cc(C2CC2)n1,DKMVHHKZBVKLQN-UHFFFAOYSA-N
rxn:4:194231:225683,CC(=O)Oc1ccc2ncc(-c3ccc(C4CCCOC4)nc3C)cc2c1F,JCESBJJLPDHXPF-UHFFFAOYSA-N
rxn:4:195006:223000,N#Cc1cc(Cl)c(-c2ccc(C3CCCNC3)c(F)c2)c(F)c1F,GJNPNKVCIQSUAU-UHFFFAOYSA-N
rxn:4:195264:225806,Fc1cc(OC2CCCC2)ncc1-c1cnc(C2CC2)s1,HOGKNVNOALWTNX-UHFFFAOYSA-N
rxn:4:195388:222699,[O-][n+]1cc(C(F)(F)F)ccc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1,YISUMYJQJPDTOL-UHFFFAOYSA-N
rxn:4:195392:225684,C#Cc1cc(C)c(-c2ccc(C3CCOCC3)nc2C)cn1,KXHIACYKDCDPAC-UHFFFAOYSA-N
rxn:4:195643:225683,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCOC3)nc2C)c1F,AUXIILXQYNGRGB-UHFFFAOYSA-N
rxn:4:196226:222992,Cc1cc(C2CC2)ncc1-c1ccc(N2CCCCC2O)cc1,INEUPLYHVLJZBV-UHFFFAOYSA-N
rxn:4:196952:227986,CN1CCCC1c1ccc(-c2ccc(Cl)c(C3CC3)c2)cc1,IGJDJKOHWGHKPI-UHFFFAOYSA-N
rxn:4:197051:225079,CN1CCCC(c2ccc(-c3ccc4cc(OC(F)F)ccc4c3)cc2)C1,RULKACFUSAAVCU-UHFFFAOYSA-N
rxn:4:202978:227665,Cc1cc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)ccc1C(F)(F)F,VIULDFZGTVWLHC-UHFFFAOYSA-N
rxn:4:203190:227858,CN1Cc2cccc(-c3cnc(OCC4CC(F)(F)C4)nc3)c2C1,WGIUVPNKADCTEN-UHFFFAOYSA-N
rxn:4:203190:228937,Cc1c(Cl)ncc(F)c1-c1cnc(OCC2CC(F)(F)C2)nc1,WJORDNPKOQUVPU-UHFFFAOYSA-N
rxn:4:203190:229088,CC(=O)c1csc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,QNZKWIXMWUTEPY-UHFFFAOYSA-N
rxn:4:203434:223200,COc1cc(-c2nc(C(F)(F)F)c[nH]2)ccc1-c1ccc(C2CCNC2)cc1,IGMSGGSYCYZAMJ-UHFFFAOYSA-N
rxn:4:208225:222803,COc1nc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cnc1Cl,NSPSXSGTEOGNGZ-UHFFFAOYSA-N
rxn:4:208400:225881,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCOCC3)nc2F)n1,JDRJZWMAOLIPLF-UHFFFAOYSA-N
rxn:4:208514:223000,CSc1nc(C)c(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)n1,AAZAJAATENRWOI-UHFFFAOYSA-N
rxn:4:209161:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cnc(-c2cccc(Cl)c2)nc1,BKGYSJMZYQRHEZ-UHFFFAOYSA-N
rxn:4:209721:223312,Cc1c(-c2ccc(C3CNC3)cc2)cnn1C1CCCCO1,TWHJJIRVNJZXTI-UHFFFAOYSA-N
rxn:4:209963:225767,CC(C)COc1c(F)cc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)cc1F,ZPRPZATUAOEEDR-UHFFFAOYSA-N
rxn:4:211562:222803,Fc1cc2[nH]cnc2cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,YKUAYRKSKRXZRS-UHFFFAOYSA-N
rxn:4:217545:224702,Cc1c(-c2cc([N+](=O)[O-])c(C)c3cn[nH]c23)cc(F)c(OC2CCCC2)c1F,YVXLYXFPVPAICR-UHFFFAOYSA-N
rxn:4:217558:225677,Cn1cnc2cc([N+](=O)[O-])cc(-c3ccc(C4CCCCC4)nc3F)c21,NHSVHBNWELBOPC-UHFFFAOYSA-N
rxn:4:220963:222699,Cc1nnc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)nn1,OGQBDIZKODVPPZ-UHFFFAOYSA-N
rxn:4:175729:226327,N#CC1(c2ccc(-c3ccc(OCCC4OCCCO4)c(F)c3)c(Cl)c2)CC1,RBSWDNRORQDYAF-UHFFFAOYSA-N
rxn:4:178262:222405,CCc1cc(-c2cccc(C3NC(=O)NC3=O)c2)ccc1-c1cccc(OC)c1,HTTXWUAYVBWXGW-UHFFFAOYSA-N
rxn:4:178664:223142,Fc1c(OC(F)F)ccc(-c2ccc(C3CCCNC3)nc2)c1Cl,GLJKGOSZGHOLQQ-UHFFFAOYSA-N
rxn:4:179733:226414,CC(=O)c1cc(-c2ccc(C3=NCCCO3)cc2)cc(C(C)(F)F)c1,KTGQVBXDRHDDGJ-UHFFFAOYSA-N
rxn:4:180899:222925,C#Cc1cc(F)c(F)cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,AHPWSHQJCBWWPI-UHFFFAOYSA-N
rxn:4:181163:222925,COc1c(F)c(F)cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1Cl,CYKNVXXCTCMOBN-UHFFFAOYSA-N
rxn:4:181252:225852,CC(=O)c1ccc(-c2cnc(C3CCCCC3)nc2Cl)c(F)c1F,KQGKYOSJFRGRMD-UHFFFAOYSA-N
rxn:4:181429:223142,Clc1cc(-c2ccc(C3CCCNC3)nc2)cc(C2CC2)c1,PJRSHSGUIKWZEW-UHFFFAOYSA-N
rxn:4:181646:227505,O=C1CC(c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c(F)c2)C1,VPNQPJORCDUQIN-BQYQJAHWSA-N
rxn:4:181721:223147,FC1(F)CC(c2ccc(-c3ccc(C4CNCCO4)cc3)cc2)C1,ATMUXNYDCPFZTP-UHFFFAOYSA-N
rxn:4:182526:222925,Cc1cc(Cl)c(F)cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,FBOQPZHTCPYPLE-UHFFFAOYSA-N
rxn:4:182529:222803,Cc1c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)ccc(Cl)c1F,JIWWHUJUVNQWGN-UHFFFAOYSA-N
rxn:4:182529:222876,Cc1c(-c2ccc(C(=O)NC(C)(C)C)c(F)c2)ccc(Cl)c1F,NBNZCEAAJYUULL-UHFFFAOYSA-N
rxn:4:182539:222925,Cc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc(F)c1F,FSAFKMDKXJOXKH-UHFFFAOYSA-N
rxn:4:185611:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2c(C)oc3cc(OCCN4CCOCC4)ccc3c2=O)cc1,ITXDUIHYKPVZME-UHFFFAOYSA-N
rxn:4:188104:222925,CCCOc1ncc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)s1,NCPFUWQZQSXQFZ-UHFFFAOYSA-N
rxn:4:192547:228216,Clc1c(-c2ccc(OC3CCOC3)nc2)cncc1C1CC1,VSHWNDOLTSDDKK-UHFFFAOYSA-N
rxn:4:194177:225677,CC(=O)Oc1ccc2ncc(-c3ccc(C4CCCCC4)nc3F)cc2c1,OVFOLYYSLHOOTI-UHFFFAOYSA-N
rxn:4:194517:223056,OC1CCN(c2ccc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)cn2)CC1,DJNIEFWNTBFOPU-UHFFFAOYSA-N
rxn:4:194879:225454,CN1CC=C(c2ccc(-c3cnc(C(F)F)o3)cc2)CC1,FEASEMMLSPTCTJ-UHFFFAOYSA-N
rxn:4:194935:225801,C#Cc1cc(Cl)c(-c2ccnc(OC3CCCC3)c2Cl)cn1,DSQGKXFXHNPYRT-UHFFFAOYSA-N
rxn:4:195146:222959,Cc1cc(-c2ccc(N=C=S)c(F)c2Cl)ccc1C1CCNCC1,OQDSULXJXIBPFP-UHFFFAOYSA-N
rxn:4:195150:226508,Fc1cc(N=C=S)cc(F)c1-c1ccc(OCC2CC2)nc1F,TWOLNOBWILXCNX-UHFFFAOYSA-N
rxn:4:195188:223062,O=[N+]([O-])c1cc(F)cc(-c2cnc(C3CCNCC3)cc2F)c1F,OYILURLHGVKHSI-UHFFFAOYSA-N
rxn:4:195237:223005,Fc1cnc(-c2ccc(C3CCNCC3)c(Cl)c2)c(C(F)(F)F)c1,SFYHDCHYPNQOSD-UHFFFAOYSA-N
rxn:4:195252:223170,Fc1cc(C(F)(F)F)nc(F)c1-c1cnc(C2CCCNC2)nc1,YSMMFRWIAPZXNG-UHFFFAOYSA-N
rxn:4:195542:223127,Cc1cc(-c2ccc(CNC3CC3)cc2F)ccc1N=C=S,PLCWLDIAMCFLEC-UHFFFAOYSA-N
rxn:4:195551:223004,Cc1cc([N+](=O)[O-])ccc1-c1ccc(C2CCNCC2)c(F)c1,SQMOHCXFHPFMMS-UHFFFAOYSA-N
rxn:4:196869:223312,Clc1cc(-c2ccc(C3CNC3)cc2)ccc1N1CCOCC1,ITWFOXOUUQUYPL-UHFFFAOYSA-N
rxn:4:196971:227961,Cc1nc(C2CC2)ccc1-c1cc(Cl)c(C2CCCCC2)cn1,LMTSWMGVMKTHSO-UHFFFAOYSA-N
rxn:4:197051:228473,CN1CCCC(c2ccc(-c3cc([N+](=O)[O-])ccc3F)cc2)C1,OANYJJGDPNLMSE-UHFFFAOYSA-N
rxn:4:197711:228021,CC(=O)c1cc(C)cc(-c2ccc(C34CC(C)(C3)C4)nc2)c1,OTOHYGMAJUYBPU-UHFFFAOYSA-N
rxn:4:199265:227794,CC1C(=O)N(C)c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc21,XNVAIQHFXQPVOZ-UHFFFAOYSA-N
rxn:4:203190:228265,CC(=O)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1Cl,KAISCPAHILZBJL-UHFFFAOYSA-N
rxn:4:203237:226340,N#Cc1cc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)n2)c(Cl)c(C2CC2)c1,SADFHHOSIDJSLH-UHFFFAOYSA-N
rxn:4:205037:226277,CC(C)(C)COc1ccc(-c2cc([N+](=O)[O-])cc(F)c2C#N)cn1,RRPZVSLFRQHDLX-UHFFFAOYSA-N
rxn:4:208193:223000,C#Cc1c(-c2ccc(C3CCCNC3)c(F)c2)cnn1C,HNRWMXPJJXLIKR-UHFFFAOYSA-N
rxn:4:209970:225661,Cc1cc(N2CCOCC2)ccc1-c1cc([N+](=O)[O-])c2cc[nH]c2c1,CKQWVZRRTXFWMT-UHFFFAOYSA-N
rxn:4:209970:225881,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)nc2F)cc2[nH]ccc12,SAEQRMDOTLTUHV-UHFFFAOYSA-N
rxn:4:217311:225056,CC1CCCN(c2ccc(-c3cc([N+](=O)[O-])cc4cn[nH]c34)c(F)c2)C1,JRPGSUJGDVZKAL-UHFFFAOYSA-N
rxn:4:174494:223311,COc1ccc(C(=O)Oc2cc(C(C)C)c(-c3cccc(C4CNC4)c3)cc2C)cc1,JCINCZPFNZOSJW-UHFFFAOYSA-N
rxn:4:176834:223311,Cc1cc(-c2cccc(C3CNC3)c2)ccc1OCC(F)F,JPBYMWTUCQRUAG-UHFFFAOYSA-N
rxn:4:177484:223398,CNCc1ccc(-c2ccc(OCC3CC(F)(F)C3)cc2)cc1,OLZWLIBUCZUHPU-UHFFFAOYSA-N
rxn:4:179647:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1cc(-c2ccc(C(F)(F)F)cc2)co1,DZUMYXGBADRRAC-UHFFFAOYSA-N
rxn:4:179733:227470,CCCOc1ncc(-c2cc(C(C)=O)cc(C(C)(F)F)c2)c(C)n1,YQTHFYGGWDYTGO-UHFFFAOYSA-N
rxn:4:179827:223312,c1cc(-c2ccc(C3CNC3)cc2)ccc1OC1CCOC1,BBPHGGKDIXIUQU-UHFFFAOYSA-N
rxn:4:179846:226340,N#Cc1cc(-c2ccc(OC3CCOC3)cc2F)c(Cl)c(C2CC2)c1,XDIOABXLPKITEO-UHFFFAOYSA-N
rxn:4:181248:225852,CC(=O)c1ccc(F)c(-c2cnc(C3CCCCC3)nc2Cl)c1Cl,CXYJPQWMMMMLHX-UHFFFAOYSA-N
rxn:4:181794:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)c2)N1,LKEPXGRPDLPAEJ-UHFFFAOYSA-N
rxn:4:181996:222890,COc1cc(-c2cc(C)c(-c3ccc(F)cc3)cc2F)cc(C2CCCNC2)n1,JEBVFNOECILWMN-UHFFFAOYSA-N
rxn:4:182468:225454,CN1CC=C(c2ccc(-c3c(F)cc(Cl)cc3F)cc2)CC1,FELCDJRQIKBEKG-UHFFFAOYSA-N
rxn:4:182487:225454,CN1CC=C(c2ccc(-c3c(Cl)cc(F)c(F)c3F)cc2)CC1,WQUFDDKCJPMOTE-UHFFFAOYSA-N
rxn:4:182734:225454,CN1CC=C(c2ccc(-c3cc4c(s3)CCOC4)cc2)CC1,UYZUYYNOBGXQBY-UHFFFAOYSA-N
rxn:4:183050:225454,Cc1c(-c2ccc(C3=CCN(C)CC3)cc2)ccc2c1OCCO2,LJRZRNQMAKIMDP-UHFFFAOYSA-N
rxn:4:188746:228323,CCOc1nccc(-c2ccc(OCC3CC3(F)F)cn2)c1F,UQVIWNDVIDJRSZ-UHFFFAOYSA-N
rxn:4:192281:227491,CCc1cc(-c2cnc(OC3CCC3)nc2)cc(C(C)=O)n1,LIPRBVBKFSOEDA-UHFFFAOYSA-N
rxn:4:192580:228718,Cc1ncc(C#N)cc1-c1cnc(OC2CCSC2)c(F)c1,PNSBIMWDPCRWBT-UHFFFAOYSA-N
rxn:4:194935:225683,C#Cc1cc(Cl)c(-c2ccc(C3CCCOC3)nc2C)cn1,DNEFDLJTIFLRFU-UHFFFAOYSA-N
rxn:4:195091:223002,O=[N+]([O-])c1ccc(F)c(-c2ccc(C3CCNCC3)cc2F)c1,GQDQJYZZRNRLRL-UHFFFAOYSA-N
rxn:4:195161:225684,Cc1nc(C2CCOCC2)ccc1-c1cc([N+](=O)[O-])cc(Cl)c1F,CKJSJMSFXJKGOO-UHFFFAOYSA-N
rxn:4:195172:225456,CN1CCC(c2ccc(-c3cc(F)c(Cl)c([N+](=O)[O-])c3)cc2)CC1,REUHHEVQKDBKJP-UHFFFAOYSA-N
rxn:4:195415:222925,Cc1cc(C#N)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,HWRKPGDFJPDMKL-UHFFFAOYSA-N
rxn:4:195606:226331,Cc1c(Cl)cc(-c2ccc(C3(C#N)CC3)cc2F)cc1[N+](=O)[O-],CNNJTJPXLZCFPB-UHFFFAOYSA-N
rxn:4:196226:222959,Cc1cc(C2CC2)ncc1-c1ccc(C2CCNCC2)c(C)c1,DGILLBRMWHWEOR-UHFFFAOYSA-N
rxn:4:196825:223312,c1cc(-c2ccc(C3CNC3)cc2)cc(C2CCSCC2)n1,RNHJKEBOIUOPTK-UHFFFAOYSA-N
rxn:4:196876:228216,Fc1cc(N2CCOCC2)ccc1-c1cncc(C2CC2)c1Cl,GBGJPTGOSFUXDT-UHFFFAOYSA-N
rxn:4:196969:223312,Clc1cc(C2CCCCC2)ncc1-c1ccc(C2CNC2)cc1,MJNAAIOVJDRDTQ-UHFFFAOYSA-N
rxn:4:197051:228486,CN1CCCC(c2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc2)C1,SQRVMWWHMWQTLO-UHFFFAOYSA-N
rxn:4:197711:228140,CC(c1ccc(-c2ccc(C34CC(C)(C3)C4)nc2)s1)N(C)C,UKSPWSZALADWJN-UHFFFAOYSA-N
rxn:4:198287:225923,Cc1c(-c2cnc(OC3CCCC3)nc2Cl)cnc(Cl)c1F,XDUYPZZGLJZKTE-UHFFFAOYSA-N
rxn:4:203190:227705,COc1cc(C(F)F)ncc1-c1cnc(OCC2CC(F)(F)C2)nc1,UDQGCHIDEAUHBD-UHFFFAOYSA-N
rxn:4:203190:229113,Cc1cnc(F)cc1-c1cnc(OCC2CC(F)(F)C2)nc1,AEPZVOFFWXLHHM-UHFFFAOYSA-N
rxn:4:205045:226509,CC(C)COc1ccc(-c2cc([N+](=O)[O-])cc(C#N)c2F)c(F)n1,MFUBRMHJPFKXPI-UHFFFAOYSA-N
rxn:4:205521:226134,Cc1c(-c2cnc(OC3CCC3)nc2Cl)cc(C#N)cc1C1CC1,XOYISSMTGGEZSH-UHFFFAOYSA-N
rxn:4:211842:222925,Fc1cc2nc(Cl)cnc2cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,ICQIYBNDYBJZFJ-UHFFFAOYSA-N
rxn:4:217244:225183,N#Cc1c[nH]c2c(-c3ccc(OC4CCCCC4)nc3F)ccnc12,SRCXZHJTGOPWKV-UHFFFAOYSA-N
rxn:4:217277:224777,N#Cc1c(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)cnc2[nH]ccc12,WFYCPGLSVMAGLA-UHFFFAOYSA-N
rxn:4:217277:225274,COCCOc1c(F)cc(-c2cnc3[nH]ccc3c2C#N)c(C)c1F,LIZJLNQYMJHZAN-UHFFFAOYSA-N
rxn:4:176345:223242,C#Cc1cc(OC(F)(F)F)ccc1-c1ccnc(C2CCNC2)c1,PBBICKQWRLSXOG-UHFFFAOYSA-N
rxn:4:176404:227893,CN(C)Cc1cccc(-c2ccc(OCC(F)(F)F)cc2F)c1,IEDPBOHKACWOFT-UHFFFAOYSA-N
rxn:4:178620:223142,FC(F)Sc1ccc(-c2ccc(C3CCCNC3)nc2)cc1,FMVBXPLJKUXFCE-UHFFFAOYSA-N
rxn:4:180997:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1F,XQSBNBFBNSPBLV-UHFFFAOYSA-N
rxn:4:181646:226890,O=C1CC(c2ccc(-c3cc(F)c(C(F)(F)F)cc3Cl)c(F)c2)C1,JBLIPAMPENLBSJ-UHFFFAOYSA-N
rxn:4:181937:223306,Fc1cc(-c2ccc3c(c2)CNCC3)ccc1C1CCCC1,DEQRDCZVHHDZEE-UHFFFAOYSA-N
rxn:4:182462:225454,CN1CC=C(c2ccc(-c3ccc(F)c(Cl)c3F)cc2)CC1,POSQNNPAVJDGCT-UHFFFAOYSA-N
rxn:4:182464:225454,CN1CC=C(c2ccc(-c3c(F)cc(F)cc3Cl)cc2)CC1,FDVMUVYXHYNCOJ-UHFFFAOYSA-N
rxn:4:182473:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(F)c(F)c1Cl,CITCHFAACYEUEN-UHFFFAOYSA-N
rxn:4:182477:225454,CN1CC=C(c2ccc(-c3ccc(Cl)c(F)c3F)cc2)CC1,RHEPUBDSCKVFPG-UHFFFAOYSA-N
rxn:4:182546:223000,Cc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)c1F,YKSLBTVWEUPDLB-UHFFFAOYSA-N
rxn:4:182592:225454,Cc1cc(F)cc(C)c1-c1ccc(C2=CCN(C)CC2)cc1,YZLPJCHERPDEJA-UHFFFAOYSA-N
rxn:4:182593:225454,Cc1cc(C)c(-c2ccc(C3=CCN(C)CC3)cc2)cc1F,NHKIWFOHPBACBK-UHFFFAOYSA-N
rxn:4:182722:225454,CN1CC=C(c2ccc(-c3ccc4c(c3)CCO4)cc2)CC1,WSIVPYYGQPYNMI-UHFFFAOYSA-N
rxn:4:183260:223312,c1cc(C2CNC2)ccc1-c1ccc2c(c1)COC21CCCCC1,NBSFVXLYKIUIOF-UHFFFAOYSA-N
rxn:4:183279:225454,CN1CC=C(c2ccc(-c3ccc4c(c3)C3C(C4)C3(F)F)cc2)CC1,UKFOKBMMXWBGMJ-UHFFFAOYSA-N
rxn:4:188381:226155,CCOC(=O)c1ccc(-c2cc(C(C)=O)cc(C3CC3)c2)nc1Cl,AXYDZRDRTCKLJS-UHFFFAOYSA-N
rxn:4:189235:224001,CN(C)CCc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1,DIKQJDJEWVWXFY-UHFFFAOYSA-N
rxn:4:191232:223002,N#C[Se]c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1,VBYSKIDKEXZNAD-UHFFFAOYSA-N
rxn:4:191246:222803,CCOc1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)s1,FWAKDMIPCJQETR-UHFFFAOYSA-N
rxn:4:194080:227432,Cc1nc(C2COC2)ccc1-c1cnc2ccc(OC(F)F)cc2c1Cl,WBKRQYCPVDZKCU-UHFFFAOYSA-N
rxn:4:194136:225201,COC(=O)c1ccc(-c2ccc(OC3CCCC3)c(F)c2F)c2[nH]ccc12,JPWIWTIGTCCHFD-UHFFFAOYSA-N
rxn:4:194582:222413,Cc1cc(S(N)(=O)=O)ccc1-c1ccc(-c2cc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1,KRQXITGYMJBCPU-UHFFFAOYSA-N
rxn:4:195068:225454,CN1CC=C(c2ccc(-c3ccc(N=C=S)c(F)c3)cc2)CC1,MXIAHIBLSUPTLV-UHFFFAOYSA-N
rxn:4:195392:222925,C#Cc1cc(C)c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cn1,OKQXFRRLEWWGNP-UHFFFAOYSA-N
rxn:4:195496:223278,FS(F)(F)(F)(F)c1ccc(-c2cnn(C3CCNCC3)c2)cn1,FXCUGQCCUVODGP-UHFFFAOYSA-N
rxn:4:195542:223064,Cc1cc(-c2ccc(C3CCNCC3)nc2F)ccc1N=C=S,LFJJSHPMUFZBAE-UHFFFAOYSA-N
rxn:4:195791:223005,Clc1cc(C2CC2)ncc1-c1ccc(C2CCNCC2)c(Cl)c1,DUQZETLFIPWWAF-UHFFFAOYSA-N
rxn:4:196952:226907,CN1CCCC1c1ccc(-c2cccc3c2CCC32CC2)cc1,CJOHOXJOKCXSST-UHFFFAOYSA-N
rxn:4:196954:228465,COC(=O)c1sc(-c2ccc(C3CCN(C)C3)cc2)cc1Cl,KUNKTTLPDVIDPO-UHFFFAOYSA-N
rxn:4:203056:226155,CCOC(=O)c1ncc(-c2cc(C(C)=O)cc(C3CC3)c2)nc1C,NXJRKSUEJWWWFF-UHFFFAOYSA-N
rxn:4:203190:223347,O=C1NCc2c1cccc2-c1cnc(OCC2CC(F)(F)C2)nc1,XQJITJKABQWAFU-UHFFFAOYSA-N
rxn:4:204091:224692,Cc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(-c2cccc([N+](=O)[O-])c2)cc1,LMXATKCGHFYSFX-UHFFFAOYSA-N
rxn:4:208145:223065,O=[N+]([O-])c1cnc(-c2ccc(N3CCNCC3)cc2F)c(Cl)c1,LOTBYFPKMJNIRP-UHFFFAOYSA-N
rxn:4:208261:225723,C#Cc1ncc(-c2ccc(OCCN(C)C)c(Cl)c2)c(C)n1,WKWHPBGVLBMGNO-UHFFFAOYSA-N
rxn:4:209522:226155,CC(=O)c1cc(-c2ccc(C3CC(=O)CCO3)nn2)cc(C2CC2)c1,FCYXIJVZKAENLE-UHFFFAOYSA-N
rxn:4:209753:228101,N#Cc1cc(C#N)cc(-c2cnc(C3CCCCC3)nc2)c1,KPFXXGLRNSJTPK-UHFFFAOYSA-N
rxn:4:209948:224867,N#Cc1cc(-c2ccc(OCC3CCCCC3)cc2)c2[nH]ccc2c1,FVIHQTFTEHNVQJ-UHFFFAOYSA-N
rxn:4:211871:222925,CC1COc2c(-c3ccc(C4CNC4)c(C(F)(F)F)c3)cnn21,WSQYIJBGNRWKIH-UHFFFAOYSA-N
rxn:4:175440:223312,O=S(=O)(OCC1CC(F)(F)C1)c1ccc(-c2ccc(C3CNC3)cc2)cc1,IEZGMWDYIYFLGN-UHFFFAOYSA-N
rxn:4:177293:223312,CC(C)COc1cc(-c2ccc(C3CNC3)cc2)ccc1F,IWCFLOPHRGEXMW-UHFFFAOYSA-N
rxn:4:177487:228101,N#Cc1cc(C#N)cc(-c2ccc(OCC3CCC3)c(F)c2F)c1,JGOVICAZXLUEFV-UHFFFAOYSA-N
rxn:4:178073:223147,Cc1cc(-c2ccc(C3CNCCO3)cc2)ccc1-c1ccc(OC(F)(F)F)cc1,NQTCNRXNFRTTES-UHFFFAOYSA-N
rxn:4:179438:223200,COC(=O)c1cc(-c2ccc(C3CCNC3)cc2)cc(F)c1C,UEBPPOHRHOZBHU-UHFFFAOYSA-N
rxn:4:179815:223312,O=C(c1cccc(-c2ccc(C3CNC3)cc2)c1)C1CCC1,HQVAEDDRVURSGN-UHFFFAOYSA-N
rxn:4:179846:226336,N#Cc1cc(-c2ccc(OC3CCOC3)cc2F)c(Cl)cc1C1CC1,HLASVCPSMWTGEE-UHFFFAOYSA-N
rxn:4:180953:222925,FC(F)(F)c1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc1,WWHCFZARAWEUDM-UHFFFAOYSA-N
rxn:4:180997:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1F,VGQBCRGAWZVIPI-UHFFFAOYSA-N
rxn:4:181139:223142,COc1ccc(-c2ccc(C3CCCNC3)nc2)c(Cl)c1F,BUYIQYWSSAVKBQ-UHFFFAOYSA-N
rxn:4:181494:223312,Fc1cc(-c2ccc(C3CNC3)cc2)cc(C2CC2(F)F)c1,AXNDPKPIRFFJPO-UHFFFAOYSA-N
rxn:4:181646:228469,Cc1ncc([N+](=O)[O-])cc1-c1ccc(C2CC(=O)C2)cc1F,QYYJICQBVSINEO-UHFFFAOYSA-N
rxn:4:182473:225454,CN1CC=C(c2ccc(-c3ccc(F)c(F)c3Cl)cc2)CC1,QTJIBHMASIMROL-UHFFFAOYSA-N
rxn:4:182474:225454,CN1CC=C(c2ccc(-c3c(Cl)ccc(F)c3F)cc2)CC1,XJGZYXODODKZNP-UHFFFAOYSA-N
rxn:4:182575:225454,Cc1cc(Cl)cc(C)c1-c1ccc(C2=CCN(C)CC2)cc1,UIVSPPSOBGSHCQ-UHFFFAOYSA-N
rxn:4:182889:225454,CN1CC=C(c2ccc(-c3cc4c(s3)CCCC4)cc2)CC1,VBHHSGHTEUDGLC-UHFFFAOYSA-N
rxn:4:182943:225454,CN1CC=C(c2ccc(-c3ccc4c(c3)C(F)(F)CC4)cc2)CC1,PHKOQJONVNKSJN-UHFFFAOYSA-N
rxn:4:184418:225835,CCOC(=O)c1cc(C#N)cc(-c2cnc(-c3ccc(F)cc3)nc2)c1C(F)F,BDKYQWSCEMSUBQ-UHFFFAOYSA-N
rxn:4:191762:223242,COc1nc(C(F)F)ccc1-c1ccnc(C2CCNC2)c1,AUSBMKLWTBKTCK-UHFFFAOYSA-N
rxn:4:194123:225674,COC(=O)c1cc(-c2cnc(C3CCCCC3)cc2F)c2[nH]ccc2c1,AXROSBWZQBFNSU-UHFFFAOYSA-N
rxn:4:194123:225677,COC(=O)c1cc(-c2ccc(C3CCCCC3)nc2F)c2[nH]ccc2c1,KIWMCCYRYZZKEO-UHFFFAOYSA-N
rxn:4:194346:227779,COC(=O)c1cn(C)c2cc(-c3cc([N+](=O)[O-])cc(F)c3F)cc(F)c12,ZVVGICYXSPIQKU-UHFFFAOYSA-N
rxn:4:194990:225454,CN1CC=C(c2ccc(-c3cc(C#N)cc(F)c3Cl)cc2)CC1,PNEDMXPIVJXPKQ-UHFFFAOYSA-N
rxn:4:195062:222948,OC1CCN(c2ncc(-c3ccc(N=C=S)cc3Cl)c(Cl)n2)CC1,AUXWFRDRNSYJMR-UHFFFAOYSA-N
rxn:4:195104:225456,CN1CCC(c2ccc(-c3cnc(C(F)F)cc3Cl)cc2)CC1,UYOLCEFCXFZZQX-UHFFFAOYSA-N
rxn:4:195598:223127,Cc1c(N=C=S)ccc(-c2ccc(CNC3CC3)cc2F)c1Cl,BAZYWRLUTUROKQ-UHFFFAOYSA-N
rxn:4:196327:223141,FC1(F)CC(c2ccc(-c3cncc(C4CCNCC4)c3)cn2)C1,LAPXYOBVWYPXNZ-UHFFFAOYSA-N
rxn:4:196868:227283,N#Cc1cc(-c2ccc(C3CCCCO3)nc2F)cc(C2CC2)n1,MQNOIROGFVYMMU-UHFFFAOYSA-N
rxn:4:198287:225875,Cc1c(-c2ccc(N3CCOCC3)cc2Cl)cnc(Cl)c1F,KVKWCKGQCYIVEX-UHFFFAOYSA-N
rxn:4:199281:227779,CN1C(=O)CCc2cc(-c3cc([N+](=O)[O-])cc(F)c3F)c(Cl)cc21,CVIISICORKKFLL-UHFFFAOYSA-N
rxn:4:205064:223007,N#Cc1nc(C(F)(F)F)ccc1-c1cc(F)cc(C2CCNCC2)c1,QUTZDBYNMPVMNP-UHFFFAOYSA-N
rxn:4:206420:228021,CC(=O)c1cc(C)cc(-c2cnc(N3CC(C(F)F)C3)c(C)c2)c1,APXUZFQJMNZBMR-UHFFFAOYSA-N
rxn:4:208142:225684,Cc1nc(C2CCOCC2)ccc1-c1cc([N+](=O)[O-])cnc1Cl,UFJUPBAYXZYNRV-UHFFFAOYSA-N
rxn:4:208994:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3cnc(C4CC4)nc3C)c2)c(Cl)c1,IMLLZCIQQMKERN-UHFFFAOYSA-N
rxn:4:208994:226189,Cc1nc(C2CC2)ncc1-c1ccc(C2CCCC2)c(F)c1,POHMDBKFPZEWOD-UHFFFAOYSA-N
rxn:4:210660:226155,CC(=O)c1cc(-c2cnc(C34CC(C)(C3)C4)nc2)cc(C2CC2)c1,YAINGNHGYFOZBH-UHFFFAOYSA-N
rxn:4:211852:222925,Fc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc2nc(Cl)ncc12,JIXHJSINXNMCNE-UHFFFAOYSA-N
rxn:4:217285:225201,N#Cc1c(-c2ccc(OC3CCCC3)c(F)c2F)ccc2[nH]ncc12,KGKBEHCIMFYPJF-UHFFFAOYSA-N
rxn:4:217311:224617,O=[N+]([O-])c1cc(-c2ccc(OCCN3CCCC3)c(Cl)c2)c2[nH]ncc2c1,ZNBANSXAKQWPST-UHFFFAOYSA-N
rxn:4:174744:223311,Fc1cc(OCC(F)(F)C(F)F)ccc1-c1cccc(C2CNC2)c1,SYTDHDLWPYJAMJ-UHFFFAOYSA-N
rxn:4:176558:226336,N#Cc1cc(-c2ccc(OC[C@@H]3CO3)cc2F)c(Cl)cc1C1CC1,ZQKWWASKBVGQAT-CQSZACIVSA-N
rxn:4:177294:223312,CC(C)OCc1ccc(-c2ccc(C3CNC3)cc2)cc1F,AMWRYAQPGOJPEB-UHFFFAOYSA-N
rxn:4:178664:223240,Fc1c(OC(F)F)ccc(-c2ccc(C3CCNC3)nc2)c1Cl,RTMSOXIXRIZUML-UHFFFAOYSA-N
rxn:4:180615:226327,CC(=O)Oc1ccc2cc(-c3ccc(C4(C#N)CC4)cc3Cl)ccc2c1,MSIACEZMNLDYDG-UHFFFAOYSA-N
rxn:4:180863:225454,CN1CC=C(c2ccc(-c3ccc(C(F)F)o3)cc2)CC1,MTERRMOUZQTHFO-UHFFFAOYSA-N
rxn:4:180871:222925,C#Cc1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(C)o1,RHKYVSASFZFCBH-UHFFFAOYSA-N
rxn:4:181275:225454,Cc1cc(CF)ccc1-c1ccc(C2=CCN(C)CC2)cc1,OOLVQQOJBTZQDZ-UHFFFAOYSA-N
rxn:4:181440:223004,Fc1cc(-c2ccc(F)c(C3CC3)c2)ccc1C1CCNCC1,LQANDHOPRDPOMN-UHFFFAOYSA-N
rxn:4:181999:223312,C1=C(c2ccc(-c3ccc(C4CNC4)cc3)cc2)CCCC1,NZKFHMSXIZFUCT-UHFFFAOYSA-N
rxn:4:182298:223241,CC12CC(c3ccc(-c4cncc(C5CCNC5)c4)cc3)(C1)C2,YQCFSBSVRLXSQV-UHFFFAOYSA-N
rxn:4:184407:225835,COC(=O)Cc1cc(-c2cnc(-c3ccc(F)cc3)nc2)c(C#N)cc1C(F)F,ZPVRCDISVLGRLG-UHFFFAOYSA-N
rxn:4:191371:222655,N#CCc1ccc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)c(F)c1F,ZYCGJIQTZSMTLT-UHFFFAOYSA-N
rxn:4:191448:225881,O=C(c1nc(-c2ccc(C3CCOCC3)nc2F)cs1)C1CC1,NUGYUDDDSMQMJC-UHFFFAOYSA-N
rxn:4:192510:226572,CC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)cc(C2CC2)n1,WMQILMMHXUDXJC-UHFFFAOYSA-N
rxn:4:194579:223266,CNC(=O)c1ccc(F)cc1-c1ccc(-c2cc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1,NNYLERDLZCGTGY-UHFFFAOYSA-N
rxn:4:195065:225852,Fc1ccc(N=C=S)cc1-c1cnc(C2CCCCC2)nc1Cl,KBEOKPQVXVNIRT-UHFFFAOYSA-N
rxn:4:195151:226675,Fc1c(N=C=S)ccc(-c2cnc(C3CCCC3)nc2Cl)c1F,FIIFCCXBEYVJMC-UHFFFAOYSA-N
rxn:4:195598:226336,Cc1c(N=C=S)ccc(-c2cc(C#N)c(C3CC3)cc2Cl)c1Cl,INVYXGQPZLXSIF-UHFFFAOYSA-N
rxn:4:195607:223216,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc2c(c1)CCC(=O)N2,WSELDZAWZLKFGP-UHFFFAOYSA-N
rxn:4:195858:223131,FC1(F)CC1c1ccc(-c2ccc(N3CCNCC3)cc2)nc1,UUHLPIJADIHTBD-UHFFFAOYSA-N
rxn:4:196226:226212,CON=C1CCc2cc(-c3cnc(C4CC4)cc3C)ccc21,KGYYTISLKZWLRR-UHFFFAOYSA-N
rxn:4:196285:226025,CC1(c2cncc(-c3cnc(OC4CCOC4)nc3Cl)c2)CC1(F)F,PMOYUSZKTURAHR-UHFFFAOYSA-N
rxn:4:197044:228470,CN1CCC(c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1,NBWIPMFWGCKCNC-UHFFFAOYSA-N
rxn:4:197051:228470,CN1CCCC(c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)cc2)C1,TZPCTVBIVABEIM-UHFFFAOYSA-N
rxn:4:198287:225801,Cc1c(-c2ccnc(OC3CCCC3)c2Cl)cnc(Cl)c1F,GXOWZUXOUXXKPO-UHFFFAOYSA-N
rxn:4:203190:229078,COc1cncc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,YGZAFHZDUSRUMU-UHFFFAOYSA-N
rxn:4:208007:225677,O=[N+]([O-])c1cc(-c2ccc(C3CCCCC3)nc2F)c[nH]1,TXEAHLZPLWLQOS-UHFFFAOYSA-N
rxn:4:209963:222915,O=C(NC1=NCCS1)c1ccc(-c2cc([N+](=O)[O-])cc3cc[nH]c23)cc1,KJHAQYZJOFPDOP-UHFFFAOYSA-N
rxn:4:210393:223004,COc1cc2ncnc(Cl)c2cc1-c1ccc(C2CCNCC2)c(F)c1,UWOFRIOVRRKIRP-UHFFFAOYSA-N
rxn:4:217340:225633,O=[N+]([O-])c1cc(-c2ccc(N3CCCCCC3)nc2)c2[nH]cnc2c1,XOYNXSXJCLKQGG-UHFFFAOYSA-N
rxn:4:217545:225061,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCC(C)CC3)cc2F)c2[nH]ncc12,ONXCPVRGAMAICF-UHFFFAOYSA-N
rxn:4:217545:226109,Cc1c([N+](=O)[O-])cc(-c2ccc(OCC(C)(C)C)cc2)c2[nH]ncc12,HUJUMEMQWYUOHZ-UHFFFAOYSA-N
rxn:4:220351:225677,COc1cc(-c2nnc(C)nn2)ccc1-c1ccc(C2CCCCC2)nc1F,QHDOCKZWPJCIFX-UHFFFAOYSA-N
rxn:4:224441:202228,CCOc1ccc(-c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)cc2)cc1,FHTKRJADILXONI-UHFFFAOYSA-N
rxn:4:176463:223002,COc1cc(OC(F)F)ccc1-c1ccc(C2CCNCC2)cc1F,RSNIRSCCZCUWNI-UHFFFAOYSA-N
rxn:4:179520:225454,COCc1ccc(-c2ccc(C3=CCN(C)CC3)cc2)c(C)c1,LIXIAEKMUBEDQN-UHFFFAOYSA-N
rxn:4:180865:225454,CN1CC=C(c2ccc(-c3ccc(C(F)(F)F)o3)cc2)CC1,VNZQAWDVNKNYCB-UHFFFAOYSA-N
rxn:4:180984:223130,OC1CN(Cc2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)C1,POFFZUJSZLVGKS-UHFFFAOYSA-N
rxn:4:181180:225454,C#Cc1ccc(-c2ccc(C3=CCN(C)CC3)cc2)c(C)c1,OPWQIBGMVCZHNY-UHFFFAOYSA-N
rxn:4:181298:225454,CCc1c(-c2ccc(C3=CCN(C)CC3)cc2)ccc(Cl)c1F,DJSRLGTVPPHWNM-UHFFFAOYSA-N
rxn:4:181380:225454,COc1ccc(-c2ccc(C3=CCN(C)CC3)cc2)c(C)c1,RWZMCBKTLYEKHV-UHFFFAOYSA-N
rxn:4:181646:227501,O=C1CC(c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)c(F)c2)C1,VPNQPJORCDUQIN-UHFFFAOYSA-N
rxn:4:181768:226336,N#Cc1cc(-c2ccc(C3=CC(=O)C=CC3=O)cc2)c(Cl)cc1C1CC1,ZUPXREVURJNELE-UHFFFAOYSA-N
rxn:4:181877:223312,c1cc(C2CNC2)ccc1-c1ccc(C2OCCCO2)cc1,FSCAXAIEJZCBII-UHFFFAOYSA-N
rxn:4:181972:222890,COc1cc(-c2ccc(-c3cc(F)ccc3C)cc2)cc(C2CCCNC2)n1,OOVGQEHECFYDFM-UHFFFAOYSA-N
rxn:4:182109:223200,c1cc(C2CCC3(CC2)OCCO3)ccc1-c1ccc(C2CCNC2)cc1,JQZYDTJXLMMWBF-UHFFFAOYSA-N
rxn:4:182477:225228,CN1CCN(c2ccc(-c3ccc(Cl)c(F)c3F)c(F)c2)CC1,QPASYJZNDCCGGO-UHFFFAOYSA-N
rxn:4:182508:222925,Cc1cc(F)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,JEOVVHNYFUFRRW-UHFFFAOYSA-N
rxn:4:188746:228207,Fc1ncc(C2CC2)cc1-c1ccc(OCC2CC2(F)F)cn1,FWSHGOFVSFQXLO-UHFFFAOYSA-N
rxn:4:192547:228232,Clc1ncc(-c2ccc(OC3CCOC3)nc2)cc1C1CC1,OELMVISVGWESMM-UHFFFAOYSA-N
rxn:4:195064:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(Cl)c(N=C=S)c1,YJZSMYMDZQZIKI-UHFFFAOYSA-N
rxn:4:195066:222999,Fc1cc(N=C=S)ccc1-c1cc(Cl)cc(C2CCCNC2)c1,WPSKVBUBBAXUKY-UHFFFAOYSA-N
rxn:4:195146:223127,Fc1cc(CNC2CC2)ccc1-c1ccc(N=C=S)c(F)c1Cl,WHAVOMAQQDUJRP-UHFFFAOYSA-N
rxn:4:195471:223127,Cc1cc(C#N)c(F)cc1-c1ccc(CNC2CC2)cc1F,PARCNNJLHDDUMY-UHFFFAOYSA-N
rxn:4:195496:223169,FS(F)(F)(F)(F)c1ccc(-c2cnc(C3CCNCC3)nc2)cn1,ZUFHILPHHIAEHQ-UHFFFAOYSA-N
rxn:4:195601:227311,CCC(C)c1cc(F)c(-c2cc(C)c(N=C=S)cc2F)cn1,OACUCIVGYNAEAO-UHFFFAOYSA-N
rxn:4:195616:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(F)c(C)c([N+](=O)[O-])c1,JWASMVQQKOCDMD-UHFFFAOYSA-N
rxn:4:195704:223065,Cc1c(F)c(-c2ccc(N3CCNCC3)cc2F)cc([N+](=O)[O-])c1F,LCMGWUCTSJBGKK-UHFFFAOYSA-N
rxn:4:195805:223127,Fc1cc(CNC2CC2)ccc1-c1ccc(C2CC2)nc1F,KCAXUUYSAMZTHZ-UHFFFAOYSA-N
rxn:4:196246:226730,Fc1c(-c2cnc(OC3CCC3)nc2Cl)ccnc1C1CCC1,NEQWTVGQCBIDBL-UHFFFAOYSA-N
rxn:4:196285:228214,CC1(c2cncc(-c3cnc(C4CC4)cc3F)c2)CC1(F)F,AMAUBQHNWUOUJK-UHFFFAOYSA-N
rxn:4:196616:226340,N#Cc1cc(-c2ccc(C3COCCO3)nc2F)c(Cl)c(C2CC2)c1,BONPVBAMANPBQG-UHFFFAOYSA-N
rxn:4:196952:227784,CN1CCCC1c1ccc(-c2cc(F)c(F)c([N+](=O)[O-])c2)cc1,OEIQCHNRRZSNRF-UHFFFAOYSA-N
rxn:4:197051:228471,CN1CCCC(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1,QRHJAIGFANFDDY-UHFFFAOYSA-N
rxn:4:198823:222732,O=C(NC1CCCCC1)c1ccc(-c2c(F)cc3ncccc3c2F)cc1,RYVYXCCZAJUQQO-UHFFFAOYSA-N
rxn:4:203154:227957,Cc1nc(C(C)C)ccc1-c1cnc(OCC2CCC2)nc1,GRACXRAVANFBES-UHFFFAOYSA-N
rxn:4:205064:223009,N#Cc1nc(C(F)(F)F)ccc1-c1cc(Cl)cc(C2CCNCC2)c1,CGDVQFIRIVEKLD-UHFFFAOYSA-N
rxn:4:205264:225684,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCOCC3)nc2C)c1C#N,LMDIRLQBVHBCHJ-UHFFFAOYSA-N
rxn:4:205721:228216,FC1(F)COCC1Oc1ncc(-c2cncc(C3CC3)c2Cl)cn1,URVYWSOAMOBLKG-UHFFFAOYSA-N
rxn:4:206006:223199,FC(F)(F)c1ccc(-c2ncc(-c3cccc(C4CCNC4)c3)c(Cl)n2)cc1,BERWFMFJLHTINQ-UHFFFAOYSA-N
rxn:4:217311:224258,CC1CCCCN1C(=O)c1ccc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)c(Cl)c1,ZFMILCHKWPEBMZ-UHFFFAOYSA-N
rxn:4:176378:223239,FC(F)(F)COc1cccc(-c2cncc(C3CCCN3)c2)c1,XOHGXNNDVZDJFZ-UHFFFAOYSA-N
rxn:4:176383:223239,Fc1cc(OCC(F)F)ccc1-c1cncc(C2CCCN2)c1,BJLUIMGXZBOIOC-UHFFFAOYSA-N
rxn:4:179118:223241,COc1cc(C(F)(F)F)c(Cl)cc1-c1cncc(C2CCNC2)c1,XMRZNJRQXWYFRZ-UHFFFAOYSA-N
rxn:4:180866:225456,CN1CCC(c2ccc(-c3coc(C(F)(F)F)c3)cc2)CC1,YGRARGZSCUPJIQ-UHFFFAOYSA-N
rxn:4:180958:223002,Fc1cc(C2CCNCC2)ccc1-c1ccc(C(F)F)c(F)c1,IEOCLKDTVIOGOM-UHFFFAOYSA-N
rxn:4:181287:225454,CCc1cc(-c2ccc(C3=CCN(C)CC3)cc2)ccc1F,SHOMKQDAARCPCN-UHFFFAOYSA-N
rxn:4:181481:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(C2CC2(F)F)cc1,SRGHHDJMFWOFNI-UHFFFAOYSA-N
rxn:4:181875:223200,CC1(c2cccc(-c3ccc(C4CCNC4)cc3)c2)OCCO1,SBHVTAXTGGNIGW-UHFFFAOYSA-N
rxn:4:181935:223199,Cc1cc(C2CC2)cc(C)c1-c1cccc(C2CCNC2)c1,VCRBGQXXLJBMGB-UHFFFAOYSA-N
rxn:4:182447:222925,Fc1cc(Cl)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,LYHYDAWMNIESDU-UHFFFAOYSA-N
rxn:4:182477:225213,CN1CCN(c2ccc(-c3ccc(Cl)c(F)c3F)c(Cl)c2)CC1,ACAWWTXKAFWRHU-UHFFFAOYSA-N
rxn:4:182483:225454,CN1CC=C(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1,YMDYGHXDIZVTBY-UHFFFAOYSA-N
rxn:4:182491:225454,CN1CC=C(c2ccc(-c3cc(F)c(F)c(F)c3F)cc2)CC1,ZIDSYTJRCPTJLN-UHFFFAOYSA-N
rxn:4:188063:222925,CCOC(=O)c1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)sn1,IVBKABQSAWOVPN-UHFFFAOYSA-N
rxn:4:188116:223242,FC(F)COc1ccnc(-c2ccnc(C3CCNC3)c2)c1,PMLODMGIQNVBLG-UHFFFAOYSA-N
rxn:4:189362:225683,COC(=O)c1ccc(-c2ccc(-c3ccc(C4CCCOC4)nc3C)cc2)[nH]1,ZCMQZCFXRZKXPT-UHFFFAOYSA-N
rxn:4:194163:225674,COC(=O)c1c[nH]c2cc(-c3cnc(C4CCCCC4)cc3F)c(F)cc12,GKFIVIZSANEPOK-UHFFFAOYSA-N
rxn:4:194579:223106,OC1CCN(c2ncc(-c3ccc(-c4cc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)cc3)c(Cl)n2)C1,RRWFQMBKWZHNTA-UHFFFAOYSA-N
rxn:4:195291:222803,COc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,FSAZGJWUSJWBHA-UHFFFAOYSA-N
rxn:4:195631:223200,Cc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C2CCNC2)cc1,ANDRVEARSQTHRP-UHFFFAOYSA-N
rxn:4:195793:223127,COc1c(Cl)ncc(-c2ccc(CNC3CC3)cc2F)c1C,IJJBKRVKMFCJQA-UHFFFAOYSA-N
rxn:4:196109:226025,Cc1cc(N=C=S)cc(C)c1-c1cnc(OC2CCOC2)nc1Cl,HSHYWPIHIMHYJD-UHFFFAOYSA-N
rxn:4:196563:226572,Cc1cc(-c2cnc(OC3CCCC3)nc2)cnc1C(C)C,GTENTXXLLGVGSB-UHFFFAOYSA-N
rxn:4:196952:228262,COc1c(-c2ccc(C3CCCN3C)cc2)ccc(C)c1Cl,GBCCTPCJBZXSSP-UHFFFAOYSA-N
rxn:4:196954:228434,CN1CCC(c2ccc(-c3ccc(C(F)F)c(F)c3)cc2)C1,FRABZNQMSWXYSM-UHFFFAOYSA-N
rxn:4:197017:228960,CN1CC=C(c2ccc(-c3cc(Cl)cc(F)c3F)cc2)CC1,HTHLZUDVGHYFON-UHFFFAOYSA-N
rxn:4:198287:225601,Cc1c(-c2ccc(C3(C#N)CCC3)cc2F)cnc(Cl)c1F,WVOALUYXJXHKBZ-UHFFFAOYSA-N
rxn:4:205077:226531,CCOC(=O)c1cc(-c2cncc(/C=C/C#N)c2)ccc1Cl,IIHZJKIBZJVBEJ-ONEGZZNKSA-N
rxn:4:206027:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(OC2CCCC2)cn1,ZTJDFFDPMUENOA-UHFFFAOYSA-N
rxn:4:209239:223200,c1ncc(-c2ccc(C3CCNC3)cc2)cc1C1=NCCC1,URPIWESWUBCSLE-UHFFFAOYSA-N
rxn:4:210106:225881,N#Cc1cnc2c(F)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1Cl,GMCPNEPSVUYUAA-UHFFFAOYSA-N
rxn:4:210435:225234,Cc1cc2c([N+](=O)[O-])cc(-c3ccc(N4CCCCC4)c(F)c3F)cc2[nH]1,NSUPUFIVXBRITA-UHFFFAOYSA-N
rxn:4:210435:226446,Cc1cc2c([N+](=O)[O-])cc(-c3ccc(C4CCOC4)nc3C)cc2[nH]1,IGDROPWRQDDTAP-UHFFFAOYSA-N
rxn:4:215320:225201,N#Cc1ncc([N+](=O)[O-])cc1-c1ccc(OC2CCCC2)c(F)c1F,UGBNNIASSYJMTJ-UHFFFAOYSA-N
rxn:4:217340:225884,O=[N+]([O-])c1cc(-c2ccc(C3COCCO3)c(F)c2)c2[nH]cnc2c1,YNYIRCNNOATXHS-UHFFFAOYSA-N
rxn:4:222808:192843,CC(C)NC(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)cc([N+](=O)[O-])c1,UZOZGQXRUJAAEI-UHFFFAOYSA-N
rxn:4:179175:223241,CO/C=C/c1ccc(-c2cncc(C3CCNC3)c2)cc1Cl,BJIHWKYRSVZLEH-FNORWQNLSA-N
rxn:4:179733:227227,CC(=O)c1cc(-c2ccc(OCC3CC3)nc2)cc(C(C)(F)F)c1,AKNLRCPCZJNVTO-UHFFFAOYSA-N
rxn:4:180208:228101,N#Cc1cc(C#N)cc(-c2ccc(OC3CCCCO3)c(F)c2)c1,LMRXGWSPCJKTKV-UHFFFAOYSA-N
rxn:4:180866:225454,CN1CC=C(c2ccc(-c3coc(C(F)(F)F)c3)cc2)CC1,IHCUDSZAMYNPEU-UHFFFAOYSA-N
rxn:4:180879:225454,C#Cc1cc(Cl)ccc1-c1ccc(C2=CCN(C)CC2)cc1,JYFMOKBGGXNISB-UHFFFAOYSA-N
rxn:4:181567:225454,CCc1ccc(-c2ccc(C3=CCN(C)CC3)cc2)c(C)c1,NJWSGGRNIFIDBL-UHFFFAOYSA-N
rxn:4:181646:228254,COc1ccc(-c2ccc(C3CC(=O)C3)cc2F)c(C)c1F,IRQNDLGFMIOLOE-UHFFFAOYSA-N
rxn:4:181808:225454,Cc1cc(C2COC2)ccc1-c1ccc(C2=CCN(C)CC2)cc1,OXPTYMCVRAOVJU-UHFFFAOYSA-N
rxn:4:181926:223240,c1cc(-c2ccc(C3CCNC3)nc2)cc(C2CCCC2)c1,VUEAMXIQSGCOOE-UHFFFAOYSA-N
rxn:4:182465:225454,CN1CC=C(c2ccc(-c3cc(F)c(F)c(Cl)c3)cc2)CC1,WEYXQGMLYDWNRU-UHFFFAOYSA-N
rxn:4:182488:225454,CN1CC=C(c2ccc(-c3cc(Cl)c(F)c(F)c3F)cc2)CC1,QJKMCXVKLCEJQV-UHFFFAOYSA-N
rxn:4:182734:223000,Fc1cc(-c2cc3c(s2)CCOC3)ccc1C1CCCNC1,SRQPYXGSTSBEOQ-UHFFFAOYSA-N
rxn:4:183178:226336,CC1(C)CCc2oc(-c3cc(C#N)c(C4CC4)cc3Cl)cc2C1=O,DJDFLPFDHQTBEU-UHFFFAOYSA-N
rxn:4:183279:226990,CN(C)CCc1ccc(-c2ccc3c(c2)C2C(C3)C2(F)F)cc1,LPZAAVCQWOZZCA-UHFFFAOYSA-N
rxn:4:188197:223242,FC(F)(F)C(F)(F)Oc1cncc(-c2ccnc(C3CCNC3)c2)c1,XNCTVXNHIPGXKF-UHFFFAOYSA-N
rxn:4:188744:227705,COc1cc(-c2cnc(C(F)F)cc2OC)ccc1C=C[N+](=O)[O-],SAJYCULKWSFJLK-UHFFFAOYSA-N
rxn:4:191281:222991,OC1CCCN(c2ccc(-c3nccc(OC(F)F)c3Cl)cc2)C1,PDKCXUJFLDYPHZ-UHFFFAOYSA-N
rxn:4:191371:226432,N#CCc1ccc(-c2ccc(C3CCCC3)nc2F)c(F)c1F,RWHBRTMPNISTMC-UHFFFAOYSA-N
rxn:4:191400:223059,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(N2CCNCC2)cc1Cl,IYZSZEKWYCLBRA-UHFFFAOYSA-N
rxn:4:191790:223311,COc1cc([N+](=O)[O-])c(Cl)cc1-c1cccc(C2CNC2)c1,NHPXXZQNMLMQBG-UHFFFAOYSA-N
rxn:4:192843:225454,CN1CC=C(c2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4F)nc3)cc2)CC1,WASVWRFVMNJIBR-UHFFFAOYSA-N
rxn:4:195062:226130,S=C=Nc1ccc(-c2ccc(CN3CCCC3)cc2)c(Cl)c1,IGZXPPLMFPOJJB-UHFFFAOYSA-N
rxn:4:195151:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccc(N=C=S)c(F)c1F,YVEHSVCHHZGLQQ-UHFFFAOYSA-N
rxn:4:195186:223127,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(CNC3CC3)cc2F)c1,QDIRJFVSLFDZAV-UHFFFAOYSA-N
rxn:4:195522:223000,CCc1cc(Cl)c(-c2ccc(C3CCCNC3)c(F)c2)cn1,WEKIQQYZNGPUGL-UHFFFAOYSA-N
rxn:4:195541:223127,Cc1cc(N=C=S)ccc1-c1ccc(CNC2CC2)cc1F,WKVMRIKLQDGDIE-UHFFFAOYSA-N
rxn:4:196246:225923,Fc1c(-c2cnc(OC3CCCC3)nc2Cl)ccnc1C1CCC1,LZIMYHPAIJSEGS-UHFFFAOYSA-N
rxn:4:198167:222803,Fc1c(Cl)cncc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,BUZAMNHXRCUMCH-UHFFFAOYSA-N
rxn:4:198287:225879,Cc1c(-c2ccc(N3CCOCC3)cc2F)cnc(Cl)c1F,CZWONEGODHQCFI-UHFFFAOYSA-N
rxn:4:205036:226438,N#Cc1cc(F)c([N+](=O)[O-])cc1-c1cnc(C2CCCC2)cc1F,JARCPWAWLQOIFI-UHFFFAOYSA-N
rxn:4:205122:225199,COc1cc(C#N)c(-c2cc(F)c(OC3CCCC3)c(F)c2)cn1,YNBMMZOYUGFMTL-UHFFFAOYSA-N
rxn:4:205405:227413,CC(C)Oc1ncc(-c2cnc(C3CCC3)cc2F)c(Cl)n1,XDYRMKQZMAVBCF-UHFFFAOYSA-N
rxn:4:205660:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(OC2CCSC2)nc1,NLDUWDUQOUDQEQ-UHFFFAOYSA-N
rxn:4:206526:223307,FC1(F)CCC(Oc2ncc(-c3ccc4c(c3)CCNC4)cn2)CC1,AWNGKZHVUYUREB-UHFFFAOYSA-N
rxn:4:208997:226414,CC1(c2ncc(-c3ccc(C4=NCCCO4)cc3)c(Cl)n2)CC1,RBHVQLVAWGJKHC-UHFFFAOYSA-N
rxn:4:209622:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(C2=CCCCC2)cn1,RLKKHKYJHNRQDW-UHFFFAOYSA-N
rxn:4:216061:225677,COCc1cc(-c2ccc(C3CCCCC3)nc2F)cn2ncnc12,MEXBFPHBOQUOIW-UHFFFAOYSA-N
rxn:4:217930:222699,Cn1nnc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)c1Cl,PCRJIXJFLPROTA-UHFFFAOYSA-N
rxn:4:225456:207613,CN1CCC(c2ccc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)cc3)cc2)CC1,BFTOSRURBAAJRM-UHFFFAOYSA-N
rxn:4:176369:227893,CN(C)Cc1cccc(-c2ccc(OCC(F)F)c(Cl)c2)c1,RHFFKWXNNQGOIE-UHFFFAOYSA-N
rxn:4:176435:227893,CN(C)Cc1cccc(-c2ccc(OCC(F)(F)F)c(F)c2F)c1,RBUWIRQWTWZOOD-UHFFFAOYSA-N
rxn:4:176830:223307,Cc1cc(OCC(F)F)ccc1-c1ccc2c(c1)CCNC2,ADFWPAUJWMWQQA-UHFFFAOYSA-N
rxn:4:177088:226336,Cc1cc(-c2cc(C#N)c(C3CC3)cc2Cl)ccc1OCC1CO1,ITYRWTYELIFEOU-UHFFFAOYSA-N
rxn:4:178620:223131,FC(F)Sc1ccc(-c2ccc(N3CCNCC3)cc2)cc1,ANZZMSNURDFIFS-UHFFFAOYSA-N
rxn:4:178746:223242,FC(F)=C(F)Oc1ccc(-c2ccnc(C3CCNC3)c2)cc1,WWOQEOMNGZKMDB-UHFFFAOYSA-N
rxn:4:179083:223241,Cc1cc(OC(F)F)c(F)cc1-c1cncc(C2CCNC2)c1,JAPGTPHPWLCJPO-UHFFFAOYSA-N
rxn:4:180901:222925,C#Cc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(F)c1F,QKCYABZSHRCERJ-UHFFFAOYSA-N
rxn:4:181016:223147,Fc1cc(-c2ccc(C3CNCCO3)cc2)c(Cl)cc1C(F)(F)F,FWCNWEMNJZDDPL-UHFFFAOYSA-N
rxn:4:181641:223306,Fc1cc(C2OCCO2)ccc1-c1ccc2c(c1)CNCC2,CUVZZFLGXUYNDZ-UHFFFAOYSA-N
rxn:4:181683:223059,Clc1cc(N2CCNCC2)ccc1-c1cc(C2CCCC2)co1,PDZZVFMDSOACCE-UHFFFAOYSA-N
rxn:4:181998:222890,COc1cc(-c2ccc(-c3ccc(F)cc3)c(F)c2C)cc(C2CCCNC2)n1,CXDNYKMXKPYBGH-UHFFFAOYSA-N
rxn:4:182537:223065,Cc1cc(F)c(F)cc1-c1ccc(N2CCNCC2)cc1F,UVLJXELACFNSFJ-UHFFFAOYSA-N
rxn:4:183319:223280,c1cc2c(cc1-c1cnc(C3CCNC3)nc1)C1CCC2C1,YCGOUVRQGHVRKI-UHFFFAOYSA-N
rxn:4:184369:225835,CCOC(=O)Cc1ccc(-c2cnc(-c3ccc(F)cc3)nc2)c(C#N)c1F,SMNVPMZUJVIULF-UHFFFAOYSA-N
rxn:4:184543:224390,COC(=O)Cc1cc(C#N)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c(OC)c1,POLHFONHZBNMSV-UHFFFAOYSA-N
rxn:4:187752:224331,CCOC(=O)C(=O)c1c[nH]c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)nc3)c(C)cc12,LQUMFMNUBYQZAV-UHFFFAOYSA-N
rxn:4:188147:223242,FC(F)(F)COc1ncc(-c2ccnc(C3CCNC3)c2)cc1Cl,BCHYXRBIYKZZPU-UHFFFAOYSA-N
rxn:4:188746:223242,FC1(F)CC1COc1ccc(-c2ccnc(C3CCNC3)c2)nc1,BHAKAKOEDMUWAW-UHFFFAOYSA-N
rxn:4:189785:225836,COc1c(-c2cnc(-c3ccccc3F)nc2)cc([N+](=O)[O-])cc1C(C)(C)C,MXZCMTSJYVJYQG-UHFFFAOYSA-N
rxn:4:191478:222925,COc1cc(C#N)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,PLCBEIGJRHRFDU-UHFFFAOYSA-N
rxn:4:195177:223005,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)c(Cl)c2)c(F)cc1F,BLKDUCBHAXEIGN-UHFFFAOYSA-N
rxn:4:195252:223200,Fc1cc(C(F)(F)F)nc(F)c1-c1ccc(C2CCNC2)cc1,KMVPJUWZZUIXCS-UHFFFAOYSA-N
rxn:4:195309:223002,COc1cc(Cl)cnc1-c1ccc(C2CCNCC2)cc1F,OLCDTRQKFMWGCX-UHFFFAOYSA-N
rxn:4:195600:223139,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CCNCC2)nc1,RNJUHCZTMKKEOJ-UHFFFAOYSA-N
rxn:4:195607:226327,Cc1cc(Cl)c([N+](=O)[O-])cc1-c1ccc(C2(C#N)CC2)cc1Cl,FBCBHIZVTRYRPJ-UHFFFAOYSA-N
rxn:4:195820:227458,CN1CCOc2cc(-c3cnc(Cl)c(C4CC4)c3F)cnc21,MMRDWGQWCFQOFF-UHFFFAOYSA-N
rxn:4:196458:222847,N#Cc1cc(-c2ccc(-c3ccc(F)cc3F)cn2)cc(C2CCCNC2)c1,RXRFDUYWOXIWRF-UHFFFAOYSA-N
rxn:4:196952:226748,COc1cc(C(F)(F)F)ccc1-c1ccc(C2CCCN2C)cc1,LLNJHFJGTKBZOH-UHFFFAOYSA-N
rxn:4:196954:228471,CN1CCC(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1,VEAKLQISNPJYMN-UHFFFAOYSA-N
rxn:4:196954:228486,CN1CCC(c2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc2)C1,GFSDCEWYIUUQKU-UHFFFAOYSA-N
rxn:4:197711:228692,CN(C)Cc1ccc(-c2ccc(C34CC(C)(C3)C4)nc2)s1,GPODBWKXLBGOGX-UHFFFAOYSA-N
rxn:4:198225:222925,Cc1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cnc1Cl,IPPDQCNAZQVNCJ-UHFFFAOYSA-N
rxn:4:199265:227779,CC1C(=O)N(C)c2ccc(-c3cc([N+](=O)[O-])cc(F)c3F)cc21,SWPXKOWGHWOACQ-UHFFFAOYSA-N
rxn:4:201592:223584,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccnc(N(C)C(=O)OC(C)(C)C)c3)cc2)cc1,IHXNYSBYMRBFSJ-UHFFFAOYSA-N
rxn:4:202161:224874,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cccc(COC2CCCCC2)c1,AGKKIPWYCGJNEO-UHFFFAOYSA-N
rxn:4:202969:225674,NOCc1ccc([N+](=O)[O-])cc1-c1cnc(C2CCCCC2)cc1F,YMALOBMHUNNVFS-UHFFFAOYSA-N
rxn:4:207290:226132,Cc1cc(C2(C#N)CC2)ccc1-c1ccc2c(/C=C/[N+](=O)[O-])c[nH]c2c1,DVZFCBLJJOQFPP-RMKNXTFCSA-N
rxn:4:211844:222803,Fc1c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)ccc2nc(Cl)cnc12,GKFAUCKABVJSBT-UHFFFAOYSA-N
rxn:4:211844:222925,Fc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc2nc(Cl)cnc12,IQPINQVYGHXEQQ-UHFFFAOYSA-N
rxn:4:212580:222669,O=C(Nc1cccc(Cl)c1)c1cccc(-c2cnn(CC3CN(S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)C3)c2)c1,AGSIAHIVJYYUDC-UHFFFAOYSA-N
rxn:4:217545:225597,Cc1c([N+](=O)[O-])cc(-c2ccc(OC3CCCCC3)nc2)c2[nH]ncc12,GPEKAWLQHGVTDM-UHFFFAOYSA-N
rxn:4:217658:224159,CN(C)c1n[nH]c2ccc(-c3cccc4c3ccn4C(=O)OC(C)(C)C)cc12,LEXLWWREEUNRKE-UHFFFAOYSA-N
rxn:4:224390:197851,COc1cc2c(cc1-c1cnc(-c3ccc(C(F)(F)F)cc3)nc1)CCN(C)C2,CMGNYTHHBBVNAJ-UHFFFAOYSA-N
rxn:4:174705:223312,FC(F)(F)CCSc1cccc(-c2ccc(C3CNC3)cc2)c1,ORNSDUJZKPJCOR-UHFFFAOYSA-N
rxn:4:176907:226336,Cc1cc(-c2cc(C#N)c(C3CC3)cc2Cl)ccc1OCC(F)(F)F,DPQJYJJFBRFWHC-UHFFFAOYSA-N
rxn:4:178664:223139,Fc1c(OC(F)F)ccc(-c2ccc(C3CCNCC3)nc2)c1Cl,AFBVGSSZSWTXRD-UHFFFAOYSA-N
rxn:4:178731:223199,C#Cc1cc(C(F)(F)F)ccc1-c1cccc(C2CCNC2)c1,XGFRAOVLRGIBCN-UHFFFAOYSA-N
rxn:4:179816:223311,O=C(c1ccc(-c2cccc(C3CNC3)c2)cc1)C1CCC1,ZXAAFQLPEJFLLW-UHFFFAOYSA-N
rxn:4:180096:228101,N#Cc1cc(C#N)cc(-c2ccc(OC3CCCC3)c(Cl)c2)c1,HDKHKMGFEIMOGH-UHFFFAOYSA-N
rxn:4:181034:223240,Fc1c(C(F)(F)F)ccc(-c2ccc(C3CCNC3)nc2)c1Cl,ZVYFVEODOASLFE-UHFFFAOYSA-N
rxn:4:181258:223005,FS(F)(F)(F)(F)c1cccc(-c2ccc(C3CCNCC3)c(Cl)c2)c1,NPODGKCKAOBSLE-UHFFFAOYSA-N
rxn:4:181318:223142,Cc1ccc(-c2ccc(C3CCCNC3)nc2)cc1C(F)F,VRVBUKKTOOJHTE-UHFFFAOYSA-N
rxn:4:181631:228468,Cc1c(-c2ccc(C3CC(=O)C3)c(F)c2)cncc1[N+](=O)[O-],RNMALEYRRDQXSE-UHFFFAOYSA-N
rxn:4:181797:222890,COc1cc(-c2c(F)cc(-c3ccc(F)cc3)cc2F)cc(C2CCCNC2)n1,RNPKFWACAHPNJF-UHFFFAOYSA-N
rxn:4:182094:223312,c1cc(C2CCCCCC2)ccc1-c1ccc(C2CNC2)cc1,WETBVOSNMDMHBN-UHFFFAOYSA-N
rxn:4:188725:228207,Fc1ncc(C2CC2)cc1-c1cnc(OCC2CC2)c(Cl)c1,HCUVDAZSRGAHMP-UHFFFAOYSA-N
rxn:4:188746:228259,COc1cc(C)cc(-c2ccc(OCC3CC3(F)F)cn2)c1F,BWWXREOENSRQTH-UHFFFAOYSA-N
rxn:4:191371:222656,N#CCc1ccc(-c2ccc(C(=O)NC3CCCCC3)c(F)c2)c(F)c1F,LMQGTVJNWFYHGJ-UHFFFAOYSA-N
rxn:4:191878:223059,Clc1cc(N2CCNCC2)ccc1-c1cnc(OC2CCC2)s1,PYVARJZCZOFTSW-UHFFFAOYSA-N
rxn:4:194979:223065,N#Cc1cc(F)c(F)cc1-c1ccc(N2CCNCC2)cc1F,PVADWUIWTNKTBW-UHFFFAOYSA-N
rxn:4:195109:223005,FC(F)c1cc(Cl)nc(-c2ccc(C3CCNCC3)c(Cl)c2)c1,OBGFZLGHOYGZLT-UHFFFAOYSA-N
rxn:4:195601:223127,Cc1cc(-c2ccc(CNC3CC3)cc2F)c(F)cc1N=C=S,BAQCUSOOAVWVAH-UHFFFAOYSA-N
rxn:4:195737:225454,COc1cnc(-c2ccc(C3=CCN(C)CC3)cc2)c(C)c1,JZHOVFAFEFFPDN-UHFFFAOYSA-N
rxn:4:195738:225201,CC(=O)c1c[nH]c(-c2ccc(OC3CCCC3)c(F)c2F)c1C,HEQZKDNFEUIQRT-UHFFFAOYSA-N
rxn:4:196226:224596,COc1cc(N2CCCCC2C)ccc1-c1cnc(C2CC2)cc1C,BCJKOFKCTASPJO-UHFFFAOYSA-N
rxn:4:196285:223062,CC1(c2cncc(-c3cnc(C4CCNCC4)cc3F)c2)CC1(F)F,VEYKTILFNVAUHK-UHFFFAOYSA-N
rxn:4:197702:223312,CC12CC(c3cccc(-c4ccc(C5CNC5)cc4)n3)(C1)C2,IZNGVIKMDRHSJP-UHFFFAOYSA-N
rxn:4:203190:226037,COc1c(C(F)(F)F)ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1F,NOMVMPGSWFZNHT-UHFFFAOYSA-N
rxn:4:205011:225199,N#CCc1cc(-c2cc(F)c(OC3CCCC3)c(F)c2)c(F)cn1,LQFCHUSWAZMVKZ-UHFFFAOYSA-N
rxn:4:205469:223307,CC(C)(C)c1nsc(-c2ccc3c(c2)CCNC3)c1C#N,KMFOZXAHHGFYDL-UHFFFAOYSA-N
rxn:4:206526:223363,Cc1n[nH]c2ncc(-c3cnc(OC4CCC(F)(F)CC4)nc3)cc12,XJLQUQFZWCAAMX-UHFFFAOYSA-N
rxn:4:207290:225770,O=[N+]([O-])/C=C/c1c[nH]c2cc(-c3c(F)cc(OCC4CC4)cc3F)ccc12,COQREUUDGLQCGG-AATRIKPKSA-N
rxn:4:207290:226712,COCCOc1ccc(-c2ccc3c(/C=C/[N+](=O)[O-])c[nH]c3c2)c(F)n1,RPABLOBEZGEZIM-VOTSOKGWSA-N
rxn:4:208051:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(Cl)nc(C#N)c1,JGURBCVZGWWLCV-UHFFFAOYSA-N
rxn:4:208314:225201,Cc1nc(-c2ccc(OC3CCCC3)c(F)c2F)c(C#N)cc1Cl,BZFZFXKAJMBJNF-UHFFFAOYSA-N
rxn:4:209633:227666,CC(=O)c1ccc(-c2cnc(C3CCOCC3)nc2Cl)c(F)c1F,JITZXLGSLAFMOS-UHFFFAOYSA-N
rxn:4:210032:225881,N#Cc1cc(Cl)c2cc(-c3ccc(C4CCOCC4)nc3F)ccc2n1,OGOQTXKNNXTABW-UHFFFAOYSA-N
rxn:4:210525:225923,COc1cc(-c2cnc(OC3CCCC3)nc2Cl)cn2cc(C)nc12,RTVWYWURZPSNRT-UHFFFAOYSA-N
rxn:4:176391:227893,CN(C)Cc1cccc(-c2ccc(OCC(F)(F)F)cc2Cl)c1,QBTKLVQZJWRUPT-UHFFFAOYSA-N
rxn:4:176403:223400,CNCc1cccc(-c2ccc(OCC(F)(F)F)c(F)c2)c1,VFDGTUUVOLYHCE-UHFFFAOYSA-N
rxn:4:177019:226336,N#Cc1cc(-c2ccc(OCC3CC3)cc2F)c(Cl)cc1C1CC1,POVDWLWRZBWBDN-UHFFFAOYSA-N
rxn:4:177674:223199,FC(F)(F)Oc1ccc(-c2ccc(-c3cccc(C4CCNC4)c3)cc2Cl)cc1,JMFKBYJTLALJCS-UHFFFAOYSA-N
rxn:4:179502:225454,CCc1cc(OC)ccc1-c1ccc(C2=CCN(C)CC2)cc1,QTXNLTBKVWEGGG-UHFFFAOYSA-N
rxn:4:181060:225923,Clc1nc(OC2CCCC2)ncc1-c1cc(C2CC2)co1,LXMLLJIBEDOJOV-UHFFFAOYSA-N
rxn:4:181883:226155,CC(=O)c1cc(-c2ccc(C3COCCO3)cc2)cc(C2CC2)c1,ASNRCTOJVUWBJM-UHFFFAOYSA-N
rxn:4:181996:222848,CCc1cc(-c2cc(C)c(-c3ccc(F)cc3)cc2F)cc(C2CCCNC2)n1,UXIUUBVVLVIEJE-UHFFFAOYSA-N
rxn:4:182005:223312,c1cc(C2CNC2)ccc1-c1ccc(C2CCCCO2)cc1,UWEXUDMATHBAES-UHFFFAOYSA-N
rxn:4:182897:225454,CN1CC=C(c2ccc(-c3ccc4c(c3Cl)CCC4)cc2)CC1,PWALVVGAIJRSON-UHFFFAOYSA-N
rxn:4:189056:223312,CCOC(=O)c1[nH]c(-c2ccc(C3CNC3)cc2)c(C)c1C,UIOZAKRQYOXNCW-UHFFFAOYSA-N
rxn:4:189071:228209,Cc1cc(Cl)c(-c2ccc(OCC3CCC3)nc2)cc1C#N,FCRIASUORCYPAT-UHFFFAOYSA-N
rxn:4:189071:228380,N#Cc1ccc(-c2ccc(OCC3CCC3)nc2)c(F)c1Cl,UCAZLOXQUBHADF-UHFFFAOYSA-N
rxn:4:194582:223130,OC1CN(Cc2ccc(-c3ccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)cc3)cc2)C1,NGNNJJQECSSWKZ-UHFFFAOYSA-N
rxn:4:194582:223281,OC1(c2ccc(-c3ccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)cc3)cn2)COC1,WCXNFYUPJKPVBQ-UHFFFAOYSA-N
rxn:4:195117:223005,FC(F)(F)c1cccnc1-c1ccc(C2CCNCC2)c(Cl)c1,JSONIPZNRRLFPL-UHFFFAOYSA-N
rxn:4:195146:227299,CN(C)Cc1cc(F)cc(-c2ccc(N=C=S)c(F)c2Cl)c1,VMUCCLHDPBEPIM-UHFFFAOYSA-N
rxn:4:195151:227385,Cc1nc(C(C)(C)C)ncc1-c1ccc(N=C=S)c(F)c1F,TXUSXXIEGHESMP-UHFFFAOYSA-N
rxn:4:195153:222959,Cc1cc(-c2cc([N+](=O)[O-])c(Cl)cc2F)ccc1C1CCNCC1,HNYYZMVQSONCSY-UHFFFAOYSA-N
rxn:4:195541:223138,Cc1cc(N=C=S)ccc1-c1ccnc(C2CCNCC2)c1,NINDDIMTUBTBCF-UHFFFAOYSA-N
rxn:4:195752:223000,Fc1cc(-c2cc(C3CC3)ccn2)ccc1C1CCCNC1,KIFGLKLALIDCBF-UHFFFAOYSA-N
rxn:4:195862:223139,FC1(F)CC1c1cncc(-c2ccc(C3CCNCC3)nc2)c1,ZKZUVDWJDCUOBB-UHFFFAOYSA-N
rxn:4:196284:226675,CC1(c2cc(-c3cnc(C4CCCC4)nc3Cl)ccn2)CC1(F)F,ZSCZKYAWWUWGAF-UHFFFAOYSA-N
rxn:4:196952:227991,CN1CCCC1c1ccc(-c2ccc(Cl)cc2C2CC2)cc1,IHQFUVMPBZWJFE-UHFFFAOYSA-N
rxn:4:197051:228369,Cc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCCN(C)C2)cc1,NRAXRFBZLCRBEE-UHFFFAOYSA-N
rxn:4:197051:228482,CN1CCCC(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)cc2)C1,OFGFWJJHDBZYRB-UHFFFAOYSA-N
rxn:4:197442:225674,CC(=O)c1c[nH]c2cc(-c3cnc(C4CCCCC4)cc3F)c(F)cc12,GOLIQFSQHIMLEX-UHFFFAOYSA-N
rxn:4:197791:228470,CCN1CCc2cc(-c3cc([N+](=O)[O-])ccc3Cl)ccc2C1,RIMLEYAAMSDHOS-UHFFFAOYSA-N
rxn:4:198289:226025,Cc1c(Cl)ncc(-c2cnc(OC3CCOC3)nc2Cl)c1F,KOOGWZJZUZUURU-UHFFFAOYSA-N
rxn:4:198495:226508,O=C1C=c2c(Cl)cc(-c3ccc(OCC4CC4)nc3F)cc2=N1,PZDYMWNEHSYSFM-UHFFFAOYSA-N
rxn:4:203190:226219,Cc1ccc2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)c(F)c2n1,BOHOZQBHNWPYLX-UHFFFAOYSA-N
rxn:4:203513:228216,Clc1c(-c2cnc(OCC3CCOCC3)nc2)cncc1C1CC1,ZUSMYSBVPWMERL-UHFFFAOYSA-N
rxn:4:205108:225199,COc1nccc(-c2cc(F)c(OC3CCCC3)c(F)c2)c1C#N,JOVOIIONKYGFHJ-UHFFFAOYSA-N
rxn:4:207290:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc2c(/C=C/[N+](=O)[O-])c[nH]c2c1,HFDBISNESICDTG-SNAWJCMRSA-N
rxn:4:208339:223062,Fc1cc(C2CCNCC2)ncc1-c1cnc(S(F)(F)(F)(F)F)nc1,AMVAZPKKLNACOA-UHFFFAOYSA-N
rxn:4:208994:225234,Cc1nc(C2CC2)ncc1-c1ccc(N2CCCCC2)c(F)c1F,HKXOSEQHTULRPV-UHFFFAOYSA-N
rxn:4:209262:223200,c1cc(C2CCNC2)ccc1-c1cnn(C2CCCC2)c1,NXWBTZBELPMUBP-UHFFFAOYSA-N
rxn:4:211480:222803,FC(F)(F)c1cc(-c2nccc3c(Cl)c[nH]c23)ccc1C1CCNC1,QBGCTSKDKIRVTQ-UHFFFAOYSA-N
rxn:4:217228:225199,N#Cc1cc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc2[nH]ncc12,GERFPHQNWWORRF-UHFFFAOYSA-N
rxn:4:176352:223002,FCCOc1cccc(-c2ccc(C3CCNCC3)cc2F)c1,WDYCDHKAJNVOQD-UHFFFAOYSA-N
rxn:4:178636:223240,FC(F)(F)Sc1ccc(-c2ccc(C3CCNC3)nc2)cc1,AUJIUGBVSAFNIE-UHFFFAOYSA-N
rxn:4:180890:222925,C#Cc1cc(F)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,QWCCDRSLGMZAOL-UHFFFAOYSA-N
rxn:4:180949:223004,Fc1cc(-c2cccc(C(F)F)c2Cl)ccc1C1CCNCC1,GTGCEFKJRPDDEI-UHFFFAOYSA-N
rxn:4:180984:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1Cl,TYMSFEDEFZKVTG-UHFFFAOYSA-N
rxn:4:181114:223170,CSc1c(Cl)ccc(-c2cnc(C3CCCNC3)nc2)c1F,HGCHXVXJXBVWME-UHFFFAOYSA-N
rxn:4:181129:222925,COc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccc(F)c1F,UJDBYXWPQZXYHA-UHFFFAOYSA-N
rxn:4:181807:222925,CC1(c2ccc(-c3ccc(C4CNC4)c(C(F)(F)F)c3)cc2)CCO1,JSPRSGMWKPUBGE-UHFFFAOYSA-N
rxn:4:181996:222855,COc1cc(-c2cc(C)c(-c3ccc(F)cc3)cc2F)cc(C2CCCNC2)c1,ZCNIMOSMZSBXSZ-UHFFFAOYSA-N
rxn:4:181996:223001,Cc1cc(-c2cc(C3CCCNC3)ccc2F)c(F)cc1-c1ccc(F)cc1,SXLXGXFNCXTWFI-UHFFFAOYSA-N
rxn:4:182007:223240,c1cc(-c2ccc(C3CCNC3)nc2)cc(C2CCCCO2)c1,WMPFRRPTISURJT-UHFFFAOYSA-N
rxn:4:188051:222925,CCOC(=O)c1nc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cs1,UYSPOERKHPAVOG-UHFFFAOYSA-N
rxn:4:188145:223242,FC(F)(F)COc1cc(-c2ccnc(C3CCNC3)c2)cnc1Cl,COXGAFRSTQGOJZ-UHFFFAOYSA-N
rxn:4:188750:228214,N#Cc1cc(-c2cnc(C3CC3)cc2F)ccc1OC1COC1,SKEQPAXXLWUZPP-UHFFFAOYSA-N
rxn:4:189785:224014,COc1c(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2Cl)cc([N+](=O)[O-])cc1C(C)(C)C,MDMSNDPBNXPRTG-UHFFFAOYSA-N
rxn:4:191376:223005,C#Cc1cc(-c2ccc(C3CCNCC3)c(Cl)c2)cc([N+](=O)[O-])c1,VFYDYWWCDDXMHK-UHFFFAOYSA-N
rxn:4:191385:222925,N#Cc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(C(F)F)c1,HATKXJWFQRPLMT-UHFFFAOYSA-N
rxn:4:194057:223200,COC(=O)c1cc(F)cc2nc(-c3ccc(C4CCNC4)cc3)sc12,XVFVNERHLWOJFT-UHFFFAOYSA-N
rxn:4:194935:225456,C#Cc1cc(Cl)c(-c2ccc(C3CCN(C)CC3)cc2)cn1,KEHOKOZVHBSKSO-UHFFFAOYSA-N
rxn:4:195541:223140,Cc1cc(N=C=S)ccc1-c1ccnc(C2CCCNC2)c1,DXVNCQWZSXMHIW-UHFFFAOYSA-N
rxn:4:195541:223146,Cc1cc(N=C=S)ccc1-c1cccc(C2CNCCO2)c1,KRHWLNWJCGFXFZ-UHFFFAOYSA-N
rxn:4:195600:223242,Cc1cc(N=C=S)c(F)cc1-c1ccnc(C2CCNC2)c1,CCOZIJNKJQRTIW-UHFFFAOYSA-N
rxn:4:195791:225454,CN1CC=C(c2ccc(-c3cnc(C4CC4)cc3Cl)cc2)CC1,AVAVWIKBSXJRKD-UHFFFAOYSA-N
rxn:4:195844:222849,N#Cc1cc(-c2nc(C3CC(F)(F)C3)cs2)ccc1C1CCNCC1,SJWSUSJMFITLQS-UHFFFAOYSA-N
rxn:4:195859:223142,FC1(F)CC1c1ccnc(-c2ccc(C3CCCNC3)nc2)c1,HSVPPVYANBFBDZ-UHFFFAOYSA-N
rxn:4:196013:226587,Fc1cc(OC2CCC2)ncc1-c1cnc(C2CCCO2)s1,XIHUFIKNVPVEON-UHFFFAOYSA-N
rxn:4:196246:226588,Fc1cnc(OC2CCC2)cc1-c1ccnc(C2CCC2)c1F,QTXOHKHEXLGPBX-UHFFFAOYSA-N
rxn:4:196661:226959,Cc1cc(C2CCC2)ncc1-c1ccc2c(c1)CC(C)(C)O2,RJEGJIKCJWXKHN-UHFFFAOYSA-N
rxn:4:198287:225868,Cc1c(-c2ccc(N3CCOCC3)c(F)c2)cnc(Cl)c1F,OVQWDCROTPHYLO-UHFFFAOYSA-N
rxn:4:198849:223147,FC1(F)CCc2nc(-c3ccc(C4CNCCO4)cc3)sc2C1,NUQIYQPRJQAOSB-UHFFFAOYSA-N
rxn:4:202978:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cnc(C=C[CH+]C(=O)[O-])nc1,HOOZWPSEVFEOQG-UHFFFAOYSA-N
rxn:4:205248:226438,CCc1ccc(-c2cnc(C3CCCC3)cc2F)c(C#N)n1,AHKZVQZIYCPHIS-UHFFFAOYSA-N
rxn:4:205689:227447,Fc1ccc(C2CC2)c(F)c1-c1cnc(OC2CCOC2)nc1Cl,YGCWNJGXQKEPCU-UHFFFAOYSA-N
rxn:4:206526:222794,O=C(Nc1cnccn1)c1ccc(-c2cnc(OC3CCC(F)(F)CC3)nc2)cc1,PELMQHURLXQUEI-UHFFFAOYSA-N
rxn:4:206526:223328,Cc1c[nH]c2ncc(-c3cnc(OC4CCC(F)(F)CC4)nc3)cc12,LHALRCQHRSRXDQ-UHFFFAOYSA-N
rxn:4:209612:228224,Cc1cc(C#N)cc(-c2cnc(C3CCOCC3)cn2)c1Cl,JYEKBTNJMNZINC-UHFFFAOYSA-N
rxn:4:211275:222925,Cc1nc(C)c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(C)n1,BTMXYPIUHPZPMN-UHFFFAOYSA-N
rxn:4:217340:225728,CCCCOc1ccc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)c(F)c1F,WDEXUXNYRAMJQA-UHFFFAOYSA-N
rxn:4:217545:225470,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCC(C)CC3)cc2)c2[nH]ncc12,KQSRLJIIJCJKRB-UHFFFAOYSA-N
rxn:4:218076:224705,CC1CCN(c2ccc(-c3cnc4[nH]c(Cl)nc4c3)c(F)c2F)CC1,OSGQHKGMXAKMCJ-UHFFFAOYSA-N
rxn:4:174254:223312,CC(C)(C)OC(=O)CCc1ccc(-c2ccc(C3CNC3)cc2)cc1,YHUJPCLXQAOCJM-UHFFFAOYSA-N
rxn:4:175402:223200,COc1cc(COC(C)C)ccc1-c1ccc(C2CCNC2)cc1,QHHDHTDWUKHPFS-UHFFFAOYSA-N
rxn:4:175939:222616,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCNCC2)cc(C(C)(C)C)c1,PFMMFUAGSONODN-UHFFFAOYSA-N
rxn:4:176363:226327,N#CC1(c2ccc(-c3ccc(OCC(F)F)cc3)c(Cl)c2)CC1,FIFXBOYTNUCOIA-UHFFFAOYSA-N
rxn:4:176558:227033,N#Cc1cc(-c2ccc(OC[C@@H]3CO3)cc2F)ccc1C1CC1,VDSZXEKMXTYZHJ-MRXNPFEDSA-N
rxn:4:177643:223200,FC(F)(F)Oc1ccc(-c2cccc(-c3ccc(C4CCNC4)cc3)c2)cc1,SLFGJQWZPAAVHR-UHFFFAOYSA-N
rxn:4:178735:223241,O=C(c1ccc(-c2cncc(C3CCNC3)c2)c(Cl)c1)C(F)F,FHKBRIJIFYMWMS-UHFFFAOYSA-N
rxn:4:180970:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cc(F)c(C(F)F)cc1F,WKPKXENCYQYQFZ-UHFFFAOYSA-N
rxn:4:181642:225454,Cc1c(-c2ccc(C3=CCN(C)CC3)cc2)ccc(C(F)(F)F)c1C,SAYCWCOXYZCEJT-UHFFFAOYSA-N
rxn:4:181999:222405,O=C1NC(=O)C(c2cccc(-c3ccc(C4=CCCCC4)cc3)c2)N1,MMJPLNQXEMHEIC-UHFFFAOYSA-N
rxn:4:182095:223311,CC1CCC(c2ccc(-c3cccc(C4CNC4)c3)cc2)CC1,WSUQTDGLEBJJPB-UHFFFAOYSA-N
rxn:4:182473:222803,Fc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(Cl)c1F,XVELYDIDKBZONN-UHFFFAOYSA-N
rxn:4:182500:222915,Cc1cc(Cl)ccc1-c1ccc(C(=O)NC2=NCCS2)cc1,ZZYFTLXLHMBILC-UHFFFAOYSA-N
rxn:4:189588:223242,O=[N+]([O-])c1ccc(C=Cc2ccc(-c3ccnc(C4CCNC4)c3)cc2)cc1,CNGGLXVHANOVGJ-UHFFFAOYSA-N
rxn:4:189785:226814,COc1c(-c2cnc(-c3ccco3)nc2Cl)cc([N+](=O)[O-])cc1C(C)(C)C,MUONGMPXQIODDS-UHFFFAOYSA-N
rxn:4:192509:224386,CC(C)c1cc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)cc([N+](=O)[O-])c1,MDGUSTIGOSOCHT-UHFFFAOYSA-N
rxn:4:193258:226816,O=C(c1ccc(-c2cnc(-c3ccoc3)nc2Cl)c(F)c1)N1CCOCC1,SJPPOKIMTBFCCU-UHFFFAOYSA-N
rxn:4:194042:225674,COC(=O)c1cc2cncc(-c3cnc(C4CCCCC4)cc3F)c2s1,XAVOUSWNDJULEH-UHFFFAOYSA-N
rxn:4:194582:222885,O=C(NC1CCOC1)c1ccc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1,LJXMTOKBSHHOQB-UHFFFAOYSA-N
rxn:4:195157:222959,Cc1cc(-c2cc(Cl)c(F)c([N+](=O)[O-])c2)ccc1C1CCNCC1,AZUTXQYVEAEVBO-UHFFFAOYSA-N
rxn:4:195252:223127,Fc1cc(CNC2CC2)ccc1-c1c(F)cc(C(F)(F)F)nc1F,YNFUQMDUCSMMSQ-UHFFFAOYSA-N
rxn:4:195307:223005,COc1cnc(-c2ccc(C3CCNCC3)c(Cl)c2)c(Cl)c1,FDDXIQCZXOMIQE-UHFFFAOYSA-N
rxn:4:195798:226335,N#Cc1cc(-c2cnc(Cl)c(C3CC3)c2)ccc1C1COC1,WBUIYLGKEVHWJC-UHFFFAOYSA-N
rxn:4:196032:225621,CC(=O)c1cc(-c2ccc(OC3CCOC3)c(C)c2)cnc1C,ILBMMTHRYDCGDW-UHFFFAOYSA-N
rxn:4:196227:225767,Cc1c(-c2cc(F)c(OCC(C)C)c(F)c2)cncc1C1CC1,NQWKKTHFMVXRRN-UHFFFAOYSA-N
rxn:4:196453:222847,N#Cc1cc(-c2ccc(-c3ccc(F)cc3F)nc2)cc(C2CCCNC2)c1,BEOSPZLIYDDFFY-UHFFFAOYSA-N
rxn:4:196816:223311,c1cc(-c2ccc(C3CCOCC3)cn2)cc(C2CNC2)c1,SOWJDALCZFDAGZ-UHFFFAOYSA-N
rxn:4:196856:223311,c1cc(-c2ccc(C3CCCCO3)nc2)cc(C2CNC2)c1,JYMLOCGYFHEXRP-UHFFFAOYSA-N
rxn:4:196952:227953,Cc1cc(N(C)C)ccc1-c1ccc(C2CCCN2C)cc1,GYQNNFLFSKXDET-UHFFFAOYSA-N
rxn:4:203146:227329,COc1ccc(C(C)=O)cc1-c1cnc(OCC2CCC2)cn1,NJYTXCAXTYGMRV-UHFFFAOYSA-N
rxn:4:203190:223400,CNCc1cccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1,SGFSJHBYAVITCE-UHFFFAOYSA-N
rxn:4:203190:228575,Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1C#N,WUCJFDDPMPBNDW-UHFFFAOYSA-N
rxn:4:205010:225199,N#CCc1cc(-c2cc(F)c(OC3CCCC3)c(F)c2)cnc1F,MKSBRBRCPXUTMC-UHFFFAOYSA-N
rxn:4:205469:223306,CC(C)(C)c1nsc(-c2ccc3c(c2)CNCC3)c1C#N,HSMITTUXPWVPHJ-UHFFFAOYSA-N
rxn:4:205979:225456,CN1CCC(c2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)CC1,KVHKCHFHSPNKOG-UHFFFAOYSA-N
rxn:4:208193:222925,C#Cc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cnn1C,NTDGPCUMTJOLOR-UHFFFAOYSA-N
rxn:4:209482:223199,Clc1cc(-c2cccc(C3CCNC3)c2)cnc1N1CCCC1,DDECVVMHJSPZQA-UHFFFAOYSA-N
rxn:4:209633:228246,CC(=O)c1ccc(Cl)c(-c2cnc(C3CCOCC3)nc2Cl)c1,DLHGZAYRJDJFIM-UHFFFAOYSA-N
rxn:4:217311:222437,O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)cc1,YGJDLIMKNCIIFT-UHFFFAOYSA-N
rxn:4:217340:225634,Cc1cc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)cnc1N1CCCCC1,CPXJEGFFOJCJML-UHFFFAOYSA-N
rxn:4:217545:224743,Cc1c([N+](=O)[O-])cc(-c2c(F)cc(C(=O)OC(C)(C)C)cc2F)c2[nH]ncc12,FCULYJGMSWJDGD-UHFFFAOYSA-N
rxn:4:217545:225059,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCC(C)CC3)cc2Cl)c2[nH]ncc12,SJHDDLDQNDAZGY-UHFFFAOYSA-N
rxn:4:178306:223241,CC(C)(C)[Si](C)(C)Sc1ccc(-c2cncc(C3CCNC3)c2)cc1,YPKIYBULOQWTOT-UHFFFAOYSA-N
rxn:4:181264:223240,FS(F)(F)(F)(F)c1cc(Cl)cc(-c2ccc(C3CCNC3)nc2)c1,AKRKGJLCECIESM-UHFFFAOYSA-N
rxn:4:181334:223199,Cc1cc(C(F)(F)F)ccc1-c1cccc(C2CCNC2)c1,JQJNEDSGXIMAPT-UHFFFAOYSA-N
rxn:4:181536:227505,O=[N+]([O-])/C=C/c1ccc(-c2ccc(C3COC3)c(Cl)c2)cc1,CRXGHYFSJDGZJA-BQYQJAHWSA-N
rxn:4:181646:228486,O=C1CC(c2ccc(-c3cc(F)cc([N+](=O)[O-])c3)c(F)c2)C1,GXHNSAABKFKISJ-UHFFFAOYSA-N
rxn:4:181712:226327,N#CC1(c2ccc(-c3ccc(C4COC(=O)C4)cc3)c(Cl)c2)CC1,WWUYRWHQWGWIBD-UHFFFAOYSA-N
rxn:4:181714:223312,CC1(c2ccc(-c3ccc(C4CNC4)cc3)cc2)CC1(F)F,KWTHLGQSOKYKJK-UHFFFAOYSA-N
rxn:4:181926:223200,c1cc(-c2ccc(C3CCNC3)cc2)cc(C2CCCC2)c1,WEAVDJRLKYEYCZ-UHFFFAOYSA-N
rxn:4:182003:223240,c1cc(-c2ccc(C3CCNC3)nc2)cc(C2CCCOC2)c1,YSROQBXYQMZVNF-UHFFFAOYSA-N
rxn:4:182529:223065,Cc1c(-c2ccc(N3CCNCC3)cc2F)ccc(Cl)c1F,CEPUMJOGKKFAAS-UHFFFAOYSA-N
rxn:4:183281:223240,c1cc(C2CCNC2)ncc1-c1ccc2c(c1)C1CCC2O1,WGMBQCJKAMUBAN-UHFFFAOYSA-N
rxn:4:188131:223242,FC(F)(F)COc1ccc(-c2ccnc(C3CCNC3)c2)cn1,WJBXPMRSJMCMSL-UHFFFAOYSA-N
rxn:4:188744:226329,COc1cc(-c2ccc(C3(C#N)CC3)c(F)c2)ccc1C=C[N+](=O)[O-],GRZOHXZCLXCBRH-UHFFFAOYSA-N
rxn:4:191359:226508,O=C(CF)c1cncc(-c2ccc(OCC3CC3)nc2F)c1,IDECBZYRJAPWOJ-UHFFFAOYSA-N
rxn:4:194123:225802,COC(=O)c1cc(-c2ccc(OC3CCCC3)nc2F)c2[nH]ccc2c1,RHARMQOTYHHVCK-UHFFFAOYSA-N
rxn:4:194579:223360,CNCc1cccc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1F,BFLNZYNSMZFFHK-UHFFFAOYSA-N
rxn:4:195062:223109,CC(NC1CC1)c1ccc(-c2ccc(N=C=S)cc2Cl)cc1,RDNARHIRQHUMPY-UHFFFAOYSA-N
rxn:4:195146:225318,Fc1cc(N2CCOCC2)cc(F)c1-c1ccc(N=C=S)c(F)c1Cl,MZLCQGAHUZFRSC-UHFFFAOYSA-N
rxn:4:195151:222958,Cc1ccc(-c2ccc(N=C=S)c(F)c2F)cc1C1CCNCC1,GNRHJFBAQWTFMH-UHFFFAOYSA-N
rxn:4:195252:223240,Fc1cc(C(F)(F)F)nc(F)c1-c1ccc(C2CCNC2)nc1,ARUIDJLHDAKSFC-UHFFFAOYSA-N
rxn:4:195366:223002,CSc1ncc(-c2ccc(C3CCNCC3)cc2F)cc1Cl,MRBJCHBQKQNXDL-UHFFFAOYSA-N
rxn:4:195541:223137,Cc1cc(N=C=S)ccc1-c1cncc(C2CCCNC2)c1,KUOYDYNZJYMVCW-UHFFFAOYSA-N
rxn:4:195543:225454,Cc1ccc(-c2ccc(C3=CCN(C)CC3)cc2)cc1[N+](=O)[O-],RKAXTUYLONLSGJ-UHFFFAOYSA-N
rxn:4:195791:226174,Clc1cc(C2CC2)ncc1-c1ccc(C2CCCCC2)nc1,LBTXVUDYCHOHJX-UHFFFAOYSA-N
rxn:4:198328:223005,Cc1c(-c2ccc(C3CCNCC3)c(Cl)c2)cnc(Cl)c1C,CKDYJPJQVDUIIH-UHFFFAOYSA-N
rxn:4:201247:225677,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(C3CCCCC3)nc2F)c1C#N,WJRWKNCZMKZLFP-UHFFFAOYSA-N
rxn:4:201324:224013,CON(C)C(=O)c1ccc(C#N)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)c1,WGUASFNSMGUATA-UHFFFAOYSA-N
rxn:4:201324:225071,CON(C)C(=O)c1ccc(C#N)c(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c1,LMZOVDPPKJKELM-UHFFFAOYSA-N
rxn:4:203190:225853,Cc1nccn1-c1ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(F)c1,DUFVPNXQGJVMEM-UHFFFAOYSA-N
rxn:4:204962:225456,CN1CCC(c2ccc(-c3nnc(SC(F)(F)F)s3)cc2)CC1,OJRDMOJDMOWVTB-UHFFFAOYSA-N
rxn:4:205403:225674,CCOc1ncc(-c2cnc(C3CCCCC3)cc2F)c(C)n1,FBRCFXCNIPSKTB-UHFFFAOYSA-N
rxn:4:206048:227954,Cc1nc(OC2CCC2)ncc1-c1ccc(C2CCC2)nc1,USYBGHNTIRVHRM-UHFFFAOYSA-N
rxn:4:208046:225677,N#Cc1cnc(-c2ccc(C3CCCCC3)nc2F)c(Cl)c1,IHVQWRFINFTYOW-UHFFFAOYSA-N
rxn:4:208232:225456,CSc1ncc(-c2ccc(C3CCN(C)CC3)cc2)c(Cl)n1,WTVNVIGEHUMYAU-UHFFFAOYSA-N
rxn:4:208261:222877,C#Cc1ncc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)c(C)n1,MKIFXEQGCBNAQW-UHFFFAOYSA-N
rxn:4:208261:225738,C#Cc1ncc(-c2cc(F)c(OCCCC)cc2F)c(C)n1,PIKUZHZTDUAYPC-UHFFFAOYSA-N
rxn:4:208994:225905,CON(C)C(=O)c1ccc(-c2cnc(C3CC3)nc2C)c(Cl)c1,ZUQNWQRIAKZNHI-UHFFFAOYSA-N
rxn:4:209482:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(N3CCCC3)c(Cl)c2)c1,QNDMKMLJRWOCON-UHFFFAOYSA-N
rxn:4:209793:223311,Cc1cc(N2CCC(F)(F)C2)ncc1-c1cccc(C2CNC2)c1,XOLDYOHMOCHWAH-UHFFFAOYSA-N
rxn:4:211219:222803,Cc1nc(Cl)cnc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,VTCPERIDUCRUTR-UHFFFAOYSA-N
rxn:4:217311:222654,O=C(NC1CCCCC1)c1cc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)ccc1Cl,ZPQANSWKZPFAOT-UHFFFAOYSA-N
rxn:4:217311:222836,CC(C)(C)CC(=O)Nc1ccc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)cc1,FPMGUNZVLHFWAZ-UHFFFAOYSA-N
rxn:4:176907:223400,CNCc1cccc(-c2ccc(OCC(F)(F)F)c(C)c2)c1,FNYSTIHMDAPMGD-UHFFFAOYSA-N
rxn:4:176958:223199,c1cc(-c2ccc(OCC3CC3)cc2)cc(C2CCNC2)c1,MSSSGWQQXKLFMK-UHFFFAOYSA-N
rxn:4:179716:223360,CNCc1cccc(-c2ccc(OC3CCC3)cc2F)c1F,KGIHTAGMNLKPFE-UHFFFAOYSA-N
rxn:4:179846:226327,N#CC1(c2ccc(-c3ccc(OC4CCOC4)cc3F)c(Cl)c2)CC1,BODNSLGCFBKMFB-UHFFFAOYSA-N
rxn:4:180879:223064,C#Cc1cc(Cl)ccc1-c1ccc(C2CCNCC2)nc1F,HAKGLDFTIRTXAY-UHFFFAOYSA-N
rxn:4:181020:223200,Fc1cc(C(F)(F)F)c(Cl)cc1-c1ccc(C2CCNC2)cc1,OFQRAUFFIKERDW-UHFFFAOYSA-N
rxn:4:181020:223241,Fc1cc(C(F)(F)F)c(Cl)cc1-c1cncc(C2CCNC2)c1,XVFVJTCYSAMSJP-UHFFFAOYSA-N
rxn:4:181259:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccc(S(F)(F)(F)(F)F)cc1,LPSGCOKSHQWSTD-UHFFFAOYSA-N
rxn:4:181641:225454,CN1CC=C(c2ccc(-c3ccc(C4OCCO4)cc3F)cc2)CC1,WGCNKVQGNSHFSU-UHFFFAOYSA-N
rxn:4:181646:225745,CC(C)Cc1ccc(-c2ccc(C3CC(=O)C3)cc2F)cc1[N+](=O)[O-],SHVSBDLPEDDKIM-UHFFFAOYSA-N
rxn:4:181646:226337,N#Cc1cc(C2CC2)cc(-c2ccc(C3CC(=O)C3)cc2F)c1Cl,USZOQHJYLDXEFH-UHFFFAOYSA-N
rxn:4:182085:223311,c1cc(-c2cccc(C3CCC34CCC4)c2)cc(C2CNC2)c1,PIKLQKDLHLQZEJ-UHFFFAOYSA-N
rxn:4:182734:226327,N#CC1(c2ccc(-c3cc4c(s3)CCOC4)c(Cl)c2)CC1,DHBLYWVRTSKAJJ-UHFFFAOYSA-N
rxn:4:186785:226813,N#Cc1cc(-c2ccc(-c3cncs3)nc2F)ccc1OCC1CCOCC1,LTBWVHQTUNCTKA-UHFFFAOYSA-N
rxn:4:191283:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(SC(F)(F)F)nc1,SQIXFZNMKHWVTB-UHFFFAOYSA-N
rxn:4:194529:227794,Cc1cc(OC(C)C)nc2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc12,SYGIUQUZNZZNFQ-UHFFFAOYSA-N
rxn:4:194937:222998,C#Cc1ncc(-c2cc(F)cc(C3CCCNC3)c2)cc1F,JVVHQVZVRIWGPP-UHFFFAOYSA-N
rxn:4:195011:223004,N#Cc1c(-c2ccc(C3CCNCC3)c(F)c2)cc(F)c(F)c1F,GEZSRISTKLXFEM-UHFFFAOYSA-N
rxn:4:195062:223127,Fc1cc(CNC2CC2)ccc1-c1ccc(N=C=S)cc1Cl,ALZOGNJDVGZGBF-UHFFFAOYSA-N
rxn:4:195156:225456,CN1CCC(c2ccc(-c3cc(F)c([N+](=O)[O-])cc3Cl)cc2)CC1,WCONQOPGPOTFEE-UHFFFAOYSA-N
rxn:4:195496:223130,OC1CN(Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)nc3)cc2)C1,JFXVLPNJIRROBF-UHFFFAOYSA-N
rxn:4:195792:226612,Clc1c(-c2cnc(N3CCCCC3)nc2)cncc1C1CC1,LJIBRMOPGCWJKQ-UHFFFAOYSA-N
rxn:4:195820:225982,Fc1cc(N2CCOCC2)ncc1-c1cnc(Cl)c(C2CC2)c1F,OWZYMMQPMTVREE-UHFFFAOYSA-N
rxn:4:196327:223242,FC1(F)CC(c2ccc(-c3ccnc(C4CCNC4)c3)cn2)C1,OOZNJUFTLVWFJJ-UHFFFAOYSA-N
rxn:4:196327:227972,FC1(F)CC(c2ccc(-c3cncc(C4CCC4)c3)cn2)C1,XHWTYLSDPUDPPA-UHFFFAOYSA-N
rxn:4:196616:226023,Fc1nc(C2COCCO2)ccc1-c1ccc(Cl)c(OCC(F)F)c1F,MCAQOYAIJVQZLY-UHFFFAOYSA-N
rxn:4:196868:228207,Fc1ncc(C2CC2)cc1-c1ccc(C2CCCCO2)nc1F,IIJIKEYTXBCEKO-UHFFFAOYSA-N
rxn:4:196972:223307,Fc1nc(C2CCCCC2)ccc1-c1ccc2c(c1)CCNC2,LFNMXYZWKKDHBS-UHFFFAOYSA-N
rxn:4:197017:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(C2=CCN(C)CC2)cc1,GXDWJTINPQIKGD-UHFFFAOYSA-N
rxn:4:197051:228901,COc1cc(Cl)ncc1-c1ccc(C2CCCN(C)C2)cc1,IBNIKRWAHDAMEP-UHFFFAOYSA-N
rxn:4:198287:225318,Cc1c(-c2c(F)cc(N3CCOCC3)cc2F)cnc(Cl)c1F,LWXNWJAKHBISON-UHFFFAOYSA-N
rxn:4:203017:226340,N#Cc1cc(-c2cnc(OCC3CC3)nc2)c(Cl)c(C2CC2)c1,BQNDRDHRYNUSEV-UHFFFAOYSA-N
rxn:4:205037:226231,CCCCOc1ncc(-c2cc([N+](=O)[O-])cc(F)c2C#N)cc1C,SIHYRLXHDOEVBC-UHFFFAOYSA-N
rxn:4:205178:226336,COc1c(-c2cc(C#N)c(C3CC3)cc2Cl)ccnc1[N+](=O)[O-],CBEXZVJGHGXSOW-UHFFFAOYSA-N
rxn:4:206324:228216,Cn1c(-c2cncc(C3CC3)c2Cl)cnc1OC1CCCC1,TYIJXIIOEMRVRD-UHFFFAOYSA-N
rxn:4:206526:223306,FC1(F)CCC(Oc2ncc(-c3ccc4c(c3)CNCC4)cn2)CC1,FKXIRQZMVTUQFS-UHFFFAOYSA-N
rxn:4:206639:223312,N#Cc1cc(N2CCC(F)(F)CC2)ccc1-c1ccc(C2CNC2)cc1,RLJQVHFNPBADBP-UHFFFAOYSA-N
rxn:4:207109:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cnc(OC(F)(F)F)c2cc[nH]c12,TZVQUOLAWROIKL-UHFFFAOYSA-N
rxn:4:208298:222803,CC#Cc1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,ATGFDAUVCAKILN-UHFFFAOYSA-N
rxn:4:217311:222657,O=C(NC1CCCCC1)c1cc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)ccc1F,FIBHOWUESRGGHF-UHFFFAOYSA-N
rxn:4:217545:226599,CCOc1c(F)cc(-c2cc([N+](=O)[O-])c(C)c3cn[nH]c23)c(C)c1F,PNUCOEKVIDSQOR-UHFFFAOYSA-N
rxn:1:12096:51096,COc1ncc(C2C(Cn3cc(-c4c[nH]c5ncc(-c6cccc7c6CCN7C(=O)[C@@H]6CCCN6C#N)c-5c4)nn3)C2(F)F)cc1[N+](=O)[O-],OTASQAKGBUWUNB-CIARAPGSSA-N
rxn:1:21127:54804,Cc1cc(C)c(C(C)n2nc(C3CCCCC3)cc2-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)O)c5c4)C3(F)F)nn2)c(C)c1,JDMQZTSQWGAKGP-UHFFFAOYSA-N
rxn:1:21954:51498,CCC(c1ccc(C)c(F)c1F)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc4ncc([N+](=O)[O-])c(O)c4c3)C2(F)F)nn1,FGVREKHHERKQAA-UHFFFAOYSA-N
rxn:1:24450:45537,N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(Cc3cc4c(Br)cccc4nc3Cl)nn1)c1ccccc12,OYJKCSGTMAVFFO-UHFFFAOYSA-N
rxn:1:41629:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC=Cc3cc(C#N)cc([N+](=O)[O-])c3O)nn1)c1ccccc12,QAJVBMYQYVAVRE-UHFFFAOYSA-N
rxn:1:43391:900,CCOc1c(Cl)cc(C=C2SC(=O)N(Cc3cn(CC#Cc4ccc5nc[nH]c(=O)c5c4)nn3)C2=O)cc1Cl,HTVQFZYGECLYNK-UHFFFAOYSA-N
rxn:1:43391:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC#Cc3ccc4nc[nH]c(=O)c4c3)nn1)c1ccccc12,QNTKLSQDJJLCPJ-UHFFFAOYSA-N
rxn:1:45047:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC#Cc3ccc4c(=O)[nH]cnc4c3)nn1)c1ccccc12,SPJSHAPTHBKBSE-UHFFFAOYSA-N
rxn:1:47639:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4c(c3)CNCC4)nn1)c1ccccc12,ZAYOVZTVJYOCGZ-UHFFFAOYSA-N
rxn:1:48699:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3cnc(F)c(N)c3)nn1)c1ccccc12,OYWDMZJXBOFJBR-UHFFFAOYSA-N
rxn:1:49930:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccnc(C#N)c4)C3(F)F)nn1)c1ccccc12,FGVVLWHWSOFJBT-UHFFFAOYSA-N
rxn:1:50573:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5[nH]c(=O)[nH]c5c4)C3(F)F)nn1)c1ccccc12,ZRFSADLVMGPUEV-UHFFFAOYSA-N
rxn:1:50685:9529,COc1ccc(C=O)cc1C1C(Cn2cc(CN3C(=O)C4(C(C#N)=C(n5cccc5)N(c5cc(Cl)cc(Cl)c5)C5=C4C(=O)CCC5)c4ccccc43)nn2)C1(F)F,IBLJHSQWPFPXSD-UHFFFAOYSA-N
rxn:1:50788:9529,C[C@@H](C(=O)O)n1cc(C2C(Cn3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6cc(Cl)cc(Cl)c6)C6=C5C(=O)CCC6)c5ccccc54)nn3)C2(F)F)cn1,TVTJRDRJVADNCL-ISSMWPGFSA-N
rxn:1:50794:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4cc([N+](=O)[O-])ccc4N)C3(F)F)nn1)c1ccccc12,WSGHRGSWTNQTPS-UHFFFAOYSA-N
rxn:1:51229:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5nc[nH]c(=O)c5c4)C3(F)F)nn1)c1ccccc12,SKLNBVGWSGIVQL-UHFFFAOYSA-N
rxn:1:51268:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5c(O)ccnc5c4)C3(F)F)nn1)c1ccccc12,NQAJBWOPSPTRBY-UHFFFAOYSA-N
rxn:1:52039:9529,Cc1cnc(Cl)c(C2CC2CCn2cc(CN3C(=O)C4(C(C#N)=C(n5cccc5)N(c5cc(Cl)cc(Cl)c5)C5=C4C(=O)CCC5)c4ccccc43)nn2)c1,XVBYUCUZGZCDJT-UHFFFAOYSA-N
rxn:1:53093:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3CC3c3ccc(-n4ccnc4)cc3)nn1)c1ccccc12,AHYIISYNOCCWLL-UHFFFAOYSA-N
rxn:1:55993:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CC3c3ccc4[nH]nnc4c3)nn2)c2ccccc21,IDZLJJTZPAHERU-UHFFFAOYSA-N
rxn:1:58255:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CCS(=O)c4ccc(F)c(F)c4)nn3)C2)C1=O,YDOGHFWWOJQQDZ-VBJQJKGOSA-N
rxn:1:60249:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(-c4cc(C(F)(F)F)cc5c(=O)nc(N6CCC7(CC6)OC[C@H](C)O7)sc45)nn3)c(C3CCCC3)n2)cc1,OHPZTFYUBDFXLP-NRFANRHFSA-N
rxn:1:63081:4260,CN1CCN(c2ccc(N3CC(Cn4cc(COc5nc6c(c(=O)n(C)c(=O)n6C)n5Cc5ccc(Br)cc5)nn4)CC3=O)nc2)CC1,DOBRXSWPWZYGGZ-UHFFFAOYSA-N
rxn:1:63081:4267,CN1CCN(c2ccc(N3CC(Cn4cc(COc5nc6c(c(=O)n(C)c(=O)n6C)n5Cc5c(Cl)cccc5Cl)nn4)CC3=O)nc2)CC1,RQAMLFDUSSXYBY-UHFFFAOYSA-N
rxn:1:63404:30332,COc1ccc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(CC5CC(=O)N(c6cc(C)c(Br)c(C)c6Br)C5)nn4)C(C3)c3ccccc3OCC2)cn1,FSNWWJBFCPOSDS-UHFFFAOYSA-N
rxn:1:64467:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CC(=O)N(c4ccc(Br)c5ccncc45)C3)nn1)c1ccccc12,PFRWLXUYFFUOCK-UHFFFAOYSA-N
rxn:1:9268:49061,CC1(C)CN(CCn2cc(CN3C(=O)C4(C(C#N)=C(n5cccc5)N(c5ccc(Br)cn5)C5=C4C(=O)CCC5)c4ccccc43)nn2)CCS1,WXJMJQOOQXVLBZ-UHFFFAOYSA-N
rxn:1:9268:58931,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCCCc3cc(O)ccc3Cl)nn1)c1ccccc12,WYHHKYAIMPHXLJ-UHFFFAOYSA-N
rxn:1:9268:59106,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCCCc3cnc(O)c(Cl)c3)nn1)c1ccccc12,YRIMOUXBUITGOZ-UHFFFAOYSA-N
rxn:2:117213:156582,CCCCn1c2c(cc(CNC(C)c3cc(-c4ccc5[nH]ncc5c4C)ccc3OC)c1=O)CCCCC2,GKDMADAFDFVIIG-UHFFFAOYSA-N
rxn:2:117213:168898,CCCCn1c2c(cc(CNC(C)c3cc(-c4cc5cn[nH]c5cc4C)ccc3OC)c1=O)CCCCC2,RTNADKLLRZMIOY-UHFFFAOYSA-N
rxn:2:117213:170655,CCCCn1c2c(cc(CNC(C)c3c[nH]c4ccc(-c5cc6cn[nH]c6cc5C)cc34)c1=O)CCCCC2,BHSHPOOCSBROKH-UHFFFAOYSA-N
rxn:2:94074:163787,COc1cc(-c2ccc3[nH]ncc3c2C)cnc1C(C)NCc1c2c(nn(CCC(C)C)c1=O)CCCC2,BAYACONDPWCKEY-UHFFFAOYSA-N
rxn:1:44191:9529,Cc1cn([C@H]2C[C@H](O)[C@](CO)(n3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6cc(Cl)cc(Cl)c6)C6=C5C(=O)CCC6)c5ccccc54)nn3)O2)c(=O)[nH]c1=O,ZWEOUATVMRYFGY-LSCBJNKHSA-N
rxn:1:46595:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC=Cc3ccc(C4CCNCC4)cc3)nn1)c1ccccc12,ZUBSBRKEGZJDAR-UHFFFAOYSA-N
rxn:1:46787:9268,CNCC(=Cc1cccc(-n2cc(CN3C(=O)C4(C(C#N)=C(n5cccc5)N(c5ccc(Br)cn5)C5=C4C(=O)CCC5)c4ccccc43)nn2)c1)B1OC(C)(C)C(C)(C)O1,FMAMLNAILMOQGV-UHFFFAOYSA-N
rxn:1:47207:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn([C@@H]3[C@H](Oc4ccc([N+](=O)[O-])cc4F)O[C@H](CO)[C@H](O)[C@@H]3O)nn1)c1ccccc12,DRQFYBUTMMNRJQ-CRVOBKSRSA-N
rxn:1:47378:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3cnc(C#N)c(F)c3)nn1)c1ccccc12,QQQVVNILMFBNOC-UHFFFAOYSA-N
rxn:1:47581:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4c(c3)CCN4)nn1)c1ccccc12,VCSRIXZQVZVNPH-UHFFFAOYSA-N
rxn:1:47635:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3cccc4c3CCNC4)nn1)c1ccccc12,SVJUQCQQQXPCHI-UHFFFAOYSA-N
rxn:1:47639:3710,N=C1NC(=O)C(=Cc2cc(I)cc(I)c2OCc2cn(CC(O)C(O)c3ccc4c(c3)CNCC4)nn2)S1,IBFWUTPFMAOZNZ-UHFFFAOYSA-N
rxn:1:48012:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3cc4cccnc4cc3F)nn1)c1ccccc12,PLPRTCXXYRYSER-UHFFFAOYSA-N
rxn:1:48068:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4[nH]cc(C(=O)O)c4c3)nn1)c1ccccc12,WEHNAUJKUDXSBI-UHFFFAOYSA-N
rxn:1:48120:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4c(c3)Cc3ccccc3-4)nn1)c1ccccc12,AJRPFDPXAKVEBI-UHFFFAOYSA-N
rxn:1:48130:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4ncc([N+](=O)[O-])c(O)c4c3)nn1)c1ccccc12,XEGJUTJLGAWOHB-UHFFFAOYSA-N
rxn:1:48151:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc(Br)cc3)nn1)c1ccccc12,KELRZLLWKTVVRM-UHFFFAOYSA-N
rxn:1:48176:9268,COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H](n3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(Br)cn6)C6=C5C(=O)CCC6)c5ccccc54)nn3)CN1)CC2,XBCZHZKAZRMMTF-QTSDBFBHSA-N
rxn:1:48313:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc(-n4ccnc4)cc3)nn1)c1ccccc12,CCAWLOWFWBUOFC-UHFFFAOYSA-N
rxn:1:49023:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccc4c(c3)CCNC4)nn1)c1ccccc12,RNHVAKNRYNMEDG-UHFFFAOYSA-N
rxn:1:49028:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3cncc4ccccc34)nn1)c1ccccc12,ZNDUXYSGKLETOC-UHFFFAOYSA-N
rxn:1:49287:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3c[nH]c4nc(Cl)nc(Cl)c34)nn1)c1ccccc12,WFDJLZNSXYKCNM-UHFFFAOYSA-N
rxn:1:49447:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,YHWICKVJFBWLRA-UHFFFAOYSA-N
rxn:1:49449:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)c1ccccc12,KAMJLOPOFNGOIZ-UHFFFAOYSA-N
rxn:1:49462:9352,CC(C(=O)Nc1cccc(-c2cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,RXMQSWPXKBKFGT-AFPYHTFMSA-N
rxn:1:50921:9268,CC(=O)Nc1ccc(C2C(Cn3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(Br)cn6)C6=C5C(=O)CCC6)c5ccccc54)nn3)C2(F)F)cc1,VHHSRWSWNIWMTP-UHFFFAOYSA-N
rxn:1:51179:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4cnc(C#N)c([N+](=O)[O-])c4)C3(F)F)nn1)c1ccccc12,KMDMOCKZORCCSP-UHFFFAOYSA-N
rxn:1:51229:9321,N#CC1=C(N)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)OC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5nc[nH]c(=O)c5c4)C3(F)F)nn1)c1ccccc12,WICOBWOBNYTAQC-UHFFFAOYSA-N
rxn:1:51301:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc(-n5ccnc5S)cc4)C3(F)F)nn1)c1ccccc12,YBGROIDVVTUSIT-UHFFFAOYSA-N
rxn:1:52109:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3CC3c3ccc(N)c(O)c3)nn1)c1ccccc12,MDKWMFAIEANVQZ-UHFFFAOYSA-N
rxn:1:52400:9268,Cc1cc(F)c(C2CC2CCn2cc(CN3C(=O)C4(C(C#N)=C(n5cccc5)N(c5ccc(Br)cn5)C5=C4C(=O)CCC5)c4ccccc43)nn2)cc1N,WUSUMZZZVSVJRR-UHFFFAOYSA-N
rxn:1:53541:30927,Cc1cc2n(n1)CCN(C(=O)c1ccc(F)cn1)CCCC1(CCN(C(=O)c3cn(CCC4C(c5cccc(CBr)c5)C4(F)F)nn3)CC1)CN(C)C2=O,QQOBMPDIAZHOLD-UHFFFAOYSA-N
rxn:1:53700:9268,CSc1ncc(C2C(CCn3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(Br)cn6)C6=C5C(=O)CCC6)c5ccccc54)nn3)C2(F)F)cn1,SRAXXRSSOFBSJX-UHFFFAOYSA-N
rxn:1:54334:29839,O=C1NCCCN(Cc2ccc3ncccc3c2)CCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CCC4C(c5c[nH]c6cc(Br)ccc56)C4(F)F)nn3)[C@@H]1C2,VFHHOIVNOYGRJF-VYWFPPQISA-N
rxn:1:55933:9268,Cc1nc(N)c(N)cc1C1CC1Cn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(Br)cn4)C4=C3C(=O)CCC4)c3ccccc32)nn1,QJPPRUVKNRLBHW-UHFFFAOYSA-N
rxn:1:63080:4260,CN1CCN(c2ccc(N3CC(Cn4cc(COc5nc6c(c(=O)n(C)c(=O)n6C)n5Cc5ccc(Br)cc5)nn4)CC3=O)cc2)CC1,JQYLPJIDGJIRIT-UHFFFAOYSA-N
rxn:1:63081:11019,CN1CCN(c2ccc(N3CC(Cn4cc(COc5nc6c(c(=O)n(C)c(=O)n6C)n5Cc5ccc(Cl)cc5Cl)nn4)CC3=O)nc2)CC1,CFXPBDBFXLNBRJ-UHFFFAOYSA-N
rxn:1:63081:4286,CN1CCN(c2ccc(N3CC(Cn4cc(COc5nc6c(c(=O)n(C)c(=O)n6C)n5Cc5cccc(Br)c5)nn4)CC3=O)nc2)CC1,OUHAZABGEIZRNP-UHFFFAOYSA-N
rxn:1:63081:5279,CN1CCN(c2ccc(N3CC(Cn4cc(COc5nc6c(c(=O)n(C)c(=O)n6C)n5Cc5ccc(Cl)cc5)nn4)CC3=O)nc2)CC1,SCHDTMGIYPTOPP-UHFFFAOYSA-N
rxn:1:44073:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC#Cc3cncc(C#N)c3)nn1)c1ccccc12,DYQZLFSDSXVZBI-UHFFFAOYSA-N
rxn:1:44620:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC#Cc3csc(C4OCCO4)c3)nn1)CC2,KQCWUMZZZPUVJA-UHFFFAOYSA-N
rxn:1:47477:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC(O)C(O)c3cc(Cl)cc(Cl)c3N)nn1)CC2,VPAZPRQMQHAAOF-UHFFFAOYSA-N
rxn:1:47541:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc(C#N)c(O)c3)nn1)c1ccccc12,OWCKVDOEYNMFJL-UHFFFAOYSA-N
rxn:1:47566:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC(O)C(O)c3cccc4[nH]cnc34)nn1)CC2,IVOZRKOBLQEXLZ-UHFFFAOYSA-N
rxn:1:47612:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4sc(N)nc4c3)nn1)c1ccccc12,XTAHPMGSIIVILB-UHFFFAOYSA-N
rxn:1:47621:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4onc(N)c4c3)nn1)c1ccccc12,ISTIVGNWARFZFP-UHFFFAOYSA-N
rxn:1:47633:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4c(c3)CCNC4)nn1)c1ccccc12,GLOYMAWHYOKUPM-UHFFFAOYSA-N
rxn:1:47639:9274,N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3ccc4c(c3)CNCC4)nn1)c1ccccc12,AZDAIOKYIIOFQY-UHFFFAOYSA-N
rxn:1:49008:9352,CC(C(=O)Nc1cccc(-c2cn(CCC(O)C(O)c3ccc4nccnc4c3)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,RXHYOCQWIYUOLM-UHFFFAOYSA-N
rxn:1:49029:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccc4c(c3)CNCC4)nn1)c1ccccc12,XSGDXLBVURCQNI-UHFFFAOYSA-N
rxn:1:49146:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccc4cnc(O)cc4c3)nn1)c1ccccc12,HIZNADJZFKAHAE-UHFFFAOYSA-N
rxn:1:49149:9352,CC(C(=O)Nc1cccc(-c2cn(CCC(O)C(O)c3c(N)ccc4nccnc34)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,ZAFBNFBTUROEPF-UHFFFAOYSA-N
rxn:1:49285:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccc4ncnc(Cl)c4c3)nn1)c1ccccc12,MRFZSUOLHNYCKG-UHFFFAOYSA-N
rxn:1:49448:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,LZPXHPHNDZOYDB-UHFFFAOYSA-N
rxn:1:49462:9361,Nc1ncnc2c1nc(-n1cc(-c3cccc(NC(=O)CN4C(=O)c5c(I)c(I)c(I)c(I)c5C4=O)c3)nn1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DXPAWTTXDHARSZ-QWYAGCNQSA-N
rxn:1:49930:9352,CC(C(=O)Nc1cccc(-c2cn(CC3C(c4ccnc(C#N)c4)C3(F)F)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,HJTTVEJIECNIKF-UHFFFAOYSA-N
rxn:1:50525:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5cc[nH]c5c4)C3(F)F)nn1)c1ccccc12,TYAXFSHPIGTGPP-UHFFFAOYSA-N
rxn:1:50622:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5c(N)n[nH]c5c4)C3(F)F)nn1)c1ccccc12,RBKFAZKLKYGUJQ-UHFFFAOYSA-N
rxn:1:51216:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc(-c5c[nH]cn5)cc4)C3(F)F)nn1)c1ccccc12,QBUJYSZRYHFPCC-UHFFFAOYSA-N
rxn:1:51496:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc(-n5ncc(C#N)c5N)cc4)C3(F)F)nn1)c1ccccc12,PBTWMFGYBDRWHO-UHFFFAOYSA-N
rxn:1:51498:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5ncc([N+](=O)[O-])c(O)c5c4)C3(F)F)nn1)c1ccccc12,PPQGDAOJEBUEGL-UHFFFAOYSA-N
rxn:1:52150:9268,Cc1nc(N)ncc1C1CC1CCn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(Br)cn4)C4=C3C(=O)CCC4)c3ccccc32)nn1,WMDAADHIIQXBQX-UHFFFAOYSA-N
rxn:1:52364:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3CC3c3ccc(C(=N)N)cc3)nn1)c1ccccc12,MJRHDEKAKIJBRU-UHFFFAOYSA-N
rxn:1:52588:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3CC3c3cnc4nc[nH]c4c3)nn1)c1ccccc12,SIGZGULIFUNATR-UHFFFAOYSA-N
rxn:1:52819:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3CC3c3ccc(/C(N)=N/O)cc3)nn1)c1ccccc12,FMFJZIZOZPHWER-UHFFFAOYSA-N
rxn:1:52885:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3CC3c3ccc(C(=O)O)c(N)c3)nn1)c1ccccc12,UXBARKACIYMFHD-UHFFFAOYSA-N
rxn:1:53279:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3CC3c3ccc4c5c(cccc35)C(=O)OC4=O)nn1)c1ccccc12,PNFFZFILTTZDQM-UHFFFAOYSA-N
rxn:1:54240:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4cnc(N)c(C#N)c4)C3(F)F)nn1)c1ccccc12,ZRPODHPXHFTLMG-UHFFFAOYSA-N
rxn:1:54579:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4cc([N+](=O)[O-])cnc4N)C3(F)F)nn1)c1ccccc12,DPABVLXVJSQLTA-UHFFFAOYSA-N
rxn:1:54621:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4cc(F)c(C(=O)O)c(F)c4)C3(F)F)nn1)c1ccccc12,NDNNGFPNJJSQFS-UHFFFAOYSA-N
rxn:1:54734:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4cnc5[nH]cc(C=O)c5c4)C3(F)F)nn1)c1ccccc12,FTEDHDKJRZBJET-UHFFFAOYSA-N
rxn:1:63404:29881,COc1ccc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(CC4CC(=O)N(c5cc(C)c(Br)c(C)c5Br)C4)nn3)c3ccccc3OCC2)cn1,GTQXZQYEJIZERN-LMALLOCISA-N
rxn:1:47639:8749,CC1(c2ccc(Cl)cc2)CC(C)(C)N2C(=O)C(=C3SC(=S)N(Cc4cn(CC(O)C(O)c5ccc6c(c5)CNCC6)nn4)C3=O)c3cc(F)cc1c32,ZOZZFFBZTWILOW-UHFFFAOYSA-N
rxn:1:48165:9268,COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H](n3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(Br)cn6)C6=C5C(=O)CCC6)c5ccccc54)nn3)CN1)CC2,XBCZHZKAZRMMTF-CFBZALKMSA-N
rxn:1:48223:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(O)C(O)c3cc(F)c(Br)c(F)c3)nn1)c1ccccc12,VKUIBYNMNZMQGD-UHFFFAOYSA-N
rxn:1:48229:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn([C@H]3CN[C@H](C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)nn1)c1ccccc12,HILYRWRWWNTUOP-DJROTNTJSA-N
rxn:1:48821:9352,CC(C(=O)Nc1cccc(-c2cn(CCC(O)C(O)c3cnc(N)c(N)c3)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,RKTJKVSIGDIGOQ-UHFFFAOYSA-N
rxn:1:48969:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccc4c(c3)CCN4)nn1)c1ccccc12,AYASHPXYGPAEFH-UHFFFAOYSA-N
rxn:1:49013:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCC(O)C(O)c3ccc4[nH]c(=O)[nH]c4c3)nn2)c2ccccc21,IUCMETMLDBPTDX-UHFFFAOYSA-N
rxn:1:49022:9278,N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccc4cnccc4c3)nn1)c1ccccc12,DEWGKSYGERJSOD-UHFFFAOYSA-N
rxn:1:49025:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3cccc4c3CCNC4)nn1)c1ccccc12,CNZRNJAURFKIJU-UHFFFAOYSA-N
rxn:1:49031:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCC(O)C(O)c3cccc4ncccc34)nn2)c2ccccc21,AZFGLFRIKFKGGQ-UHFFFAOYSA-N
rxn:1:49049:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCC(O)C(O)c3cnc4ccc(Cl)nn34)nn2)c2ccccc21,OOGGKQIOTIWXQS-UHFFFAOYSA-N
rxn:1:49444:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nn1)c1ccccc12,YWZAUEAWZBKXDD-UHFFFAOYSA-N
rxn:1:49447:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,JWOVZKVCHYSPSO-UHFFFAOYSA-N
rxn:1:49453:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn1)c1ccccc12,DHSMFSIKMKXJCO-UHFFFAOYSA-N
rxn:1:49596:9352,CC(C(=O)Nc1cccc(-c2cn([C@@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,SEDDQUJKYQGXFF-YTUKOQSCSA-N
rxn:1:50608:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5[nH]c(=O)sc5c4)C3(F)F)nn1)c1ccccc12,MRGWSBJLIPQAMQ-UHFFFAOYSA-N
rxn:1:51229:9032,CCSc1nc2c(c(=O)[nH]1)C1(C(=O)N(Cc3cn(CC4C(c5ccc6nc[nH]c(=O)c6c5)C4(F)F)nn3)c3ccccc31)C(C#N)=C(N)N2,CEORWEUDWGOJCK-UHFFFAOYSA-N
rxn:1:51276:9882,COc1ccc(-c2[nH]c3c(c2C2C(=O)N(Cc4cn(CC5C(c6c[nH]c7nc(Cl)nc(Cl)c67)C5(F)F)nn4)c4ccccc42)c(=O)n(C)c(=O)n3C)cc1,HFTZUCMMHSZHHG-UHFFFAOYSA-N
rxn:1:51301:9278,N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc(-n5ccnc5S)cc4)C3(F)F)nn1)c1ccccc12,JRPCSPXXFBUBQW-UHFFFAOYSA-N
rxn:1:51301:9672,N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc(-n5ccnc5S)cc4)C3(F)F)nn1)c1ccccc12,MAFUHKZPIWPDGA-UHFFFAOYSA-N
rxn:1:51459:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc([N+](=O)[O-])c5cnccc45)C3(F)F)nn1)c1ccccc12,OJNKLXRITJCFBI-UHFFFAOYSA-N
rxn:1:51468:9268,COC(=O)c1c[nH]c2ccc(C3C(Cn4cc(CN5C(=O)C6(C(C#N)=C(n7cccc7)N(c7ccc(Br)cn7)C7=C6C(=O)CCC7)c6ccccc65)nn4)C3(F)F)cc12,WZNPSSYFGFKTDM-UHFFFAOYSA-N
rxn:1:53102:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3CC3c3ccc4nc(Cl)ccc4c3)nn1)c1ccccc12,BHJUHSYDXHHTHB-UHFFFAOYSA-N
rxn:1:54312:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4c[nH]c5ncnc(N)c45)C3(F)F)nn1)c1ccccc12,NVZGNCFGQPULFM-UHFFFAOYSA-N
rxn:1:54492:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4ccc([N+](=O)[O-])c(N)c4)C3(F)F)nn1)c1ccccc12,VJAPGNWIRKFILV-UHFFFAOYSA-N
rxn:1:54691:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4cc([N+](=O)[O-])c(N)nc4Cl)C3(F)F)nn1)c1ccccc12,AMAIUKMWUXEIKO-UHFFFAOYSA-N
rxn:1:54720:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4cnc(-n5ccnc5)nc4)C3(F)F)nn1)c1ccccc12,OHEDAIMBZCROQJ-UHFFFAOYSA-N
rxn:1:54798:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4ccc(-n5ccnc5S)cc4)C3(F)F)nn1)c1ccccc12,XXIWNNIIQLYAFR-UHFFFAOYSA-N
rxn:1:54883:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4ccc5ncc([N+](=O)[O-])c(O)c5c4)C3(F)F)nn1)c1ccccc12,RXLLSHHFPXQJCF-UHFFFAOYSA-N
rxn:1:55972:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CC3c3ccc4ncsc4c3)nn1)c1ccccc12,CFXYNNFGAAPXDC-UHFFFAOYSA-N
rxn:1:62104:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,JCQHTJQJOYHOQV-UHFFFAOYSA-N
rxn:1:64865:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccccc4-n4cnnn4)C3)nn1)CC2,JPZGBAXDZSMPNC-UHFFFAOYSA-N
rxn:1:39926:30869,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,RCJDJZCHKYQACM-UHFFFAOYSA-N
rxn:1:47613:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4nc(N)sc4c3)nn1)CC2,HVJVNUDXUFLPOP-UHFFFAOYSA-N
rxn:1:47635:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC(O)C(O)c3cccc4c3CCNC4)nn2)c2ccccc21,CDPBETLDXWEITH-UHFFFAOYSA-N
rxn:1:48388:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(Cc3nnc4cc(-c5nc(-c6ccccc6)no5)ccn34)nn1)c1ccccc12,KMJZRPBASONHMP-UHFFFAOYSA-N
rxn:1:49002:9265,Nc1nc2ccc(C(O)C(O)CCn3cc(-c4cccc(NC(=O)c5c(Br)c(Br)c(Br)c(Br)c5C(=O)O)c4)nn3)cc2s1,FETFDUJUBSAHAJ-UHFFFAOYSA-N
rxn:1:49029:9287,N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccc4c(c3)CNCC4)nn1)c1ccccc12,LWQLBYCCRXPOKL-UHFFFAOYSA-N
rxn:1:49462:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)c2ccccc21,JLJIJIGENJVBCJ-FDVIBDBMSA-N
rxn:1:49462:9304,COC(=O)c1c(C)sc2c1OC(N)=C(C#N)C21C(=O)N(Cc2cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)c2ccccc21,LQBHNWJKYXAIQE-GWRZCIAVSA-N
rxn:1:50517:9882,COc1ccc(-c2[nH]c3c(c2C2C(=O)N(Cc4cn(CC5C(c6ccnc7[nH]ccc67)C5(F)F)nn4)c4ccccc42)c(=O)n(C)c(=O)n3C)cc1,UBZUSTOVTQLPST-UHFFFAOYSA-N
rxn:1:50536:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4cnc5cnccn45)C3(F)F)nn1)c1ccccc12,VERZHEINJQTNMF-UHFFFAOYSA-N
rxn:1:54097:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4cc(N)ccc4C#N)C3(F)F)nn1)c1ccccc12,IDSNIFHNCMDYCV-UHFFFAOYSA-N
rxn:1:54216:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4ccc(O)c(C#N)c4)C3(F)F)nn1)c1ccccc12,YSEAVCTYOFJAJI-UHFFFAOYSA-N
rxn:1:54478:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4cnc(N)c(C(=O)O)c4)C3(F)F)nn1)c1ccccc12,CIQOMGMSMZQZEK-UHFFFAOYSA-N
rxn:1:54481:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4cnc(C(=O)O)c(N)c4)C3(F)F)nn1)CC2,SUWHFCDGANDMJY-UHFFFAOYSA-N
rxn:1:54798:9287,N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4ccc(-n5ccnc5S)cc4)C3(F)F)nn1)c1ccccc12,KEAMWMJAKIKAFV-UHFFFAOYSA-N
rxn:1:61459:9268,CN1CCN(C(=O)c2ccc(Cn3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(Br)cn6)C6=C5C(=O)CCC6)c5ccccc54)nn3)s2)CC1,DJUOVOJPVOXZTH-UHFFFAOYSA-N
rxn:1:62052:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn1)c1ccccc12,PKTFLMIXOCLFPK-UHFFFAOYSA-N
rxn:1:62099:9252,CN(CCn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)c3ccccc32)nn1)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O,CFYXZYXGHLXSHY-UHFFFAOYSA-N
rxn:1:62104:9278,N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,WMZWHXNGMXUEOL-UHFFFAOYSA-N
rxn:1:62105:9245,Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,AGEKPOVHTLURBT-UHFFFAOYSA-N
rxn:1:62105:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,IDLZOSIPQSUNPH-UHFFFAOYSA-N
rxn:1:62106:9278,N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,LUFJXPUJIWTGDE-UHFFFAOYSA-N
rxn:1:62111:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2ccccc21,RFWVAYSZUUKQFU-UHFFFAOYSA-N
rxn:1:62115:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,XRXFBZBULLQCMD-UHFFFAOYSA-N
rxn:1:62115:9274,N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,VPUMOVHYZXGTEG-UHFFFAOYSA-N
rxn:1:62116:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,WMNYPSUVKYQVEY-UHFFFAOYSA-N
rxn:1:62117:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,SZESGSLYXVXPEE-UHFFFAOYSA-N
rxn:1:62118:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)c1ccccc12,UYIGCEUWZVWYKO-UHFFFAOYSA-N
rxn:1:62136:9352,CC(C(=O)Nc1cccc(-c2cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,RXMQSWPXKBKFGT-UHFFFAOYSA-N
rxn:1:62271:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)c1ccccc12,WQFTXHAQMNVELW-UHFFFAOYSA-N
rxn:1:47632:9293,N#CC1=C(N)Oc2cc(O)ccc2C1c1cc(Br)ccc1OCc1cn(CC(O)C(O)c2ccc3cnccc3c2)nn1,NPMFHVZCIVHMTQ-UHFFFAOYSA-N
rxn:1:51247:9882,COc1ccc(-c2[nH]c3c(c2C2C(=O)N(Cc4cn(CC5C(c6ccc(C7(C#N)CC7)cc6)C5(F)F)nn4)c4ccccc42)c(=O)n(C)c(=O)n3C)cc1,BOOLEFBZWVZJGN-UHFFFAOYSA-N
rxn:1:54908:9268,CC1(C)OB(c2ccc(C3C(CCn4cc(CN5C(=O)C6(C(C#N)=C(n7cccc7)N(c7ccc(Br)cn7)C7=C6C(=O)CCC7)c6ccccc65)nn4)C3(F)F)nc2)OC1(C)C,WLRIYOCTIMMVJU-UHFFFAOYSA-N
rxn:1:61473:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(Cc3ccc(C(=O)N4CCCC(O)C4)s3)nn1)c1ccccc12,LGEWXJAJCJXDDI-UHFFFAOYSA-N
rxn:1:61565:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CC2,WVBQBDZZGHUAIF-JSPUEKGMSA-N
rxn:1:61565:9268,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(CN6C(=O)C7(C(C#N)=C(n8cccc8)N(c8ccc(Br)cn8)C8=C7C(=O)CCC8)c7ccccc76)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,UGTRBOVSFGIEAT-IQDCEJERSA-N
rxn:1:61922:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3C(O)C(CO)OC3n3cnc4c(N)ncnc43)nn1)CC2,QYZROOMBSSIVLK-UHFFFAOYSA-N
rxn:1:62024:10591,Nc1ncnc2c1nc(-n1cc(-c3cccc(NC(=O)CN4C(=O)c5c(Br)c(Br)c(Br)c(Br)c5C4=O)c3)nn1)n2[C@@H]1O[C@H](CO)[C@H](O)C1O,XPDYNPOZJCTDIH-KQJHPCFESA-N
rxn:1:62024:9352,CC(C(=O)Nc1cccc(-c2cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,RXMQSWPXKBKFGT-MYIPOMPXSA-N
rxn:1:62102:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,OZGAPTSIOCXBGM-UHFFFAOYSA-N
rxn:1:62103:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,DPWBRHNMVTZSDT-UHFFFAOYSA-N
rxn:1:62105:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,OWYWEESCEHOUGR-UHFFFAOYSA-N
rxn:1:62105:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,QSDLPCIRHAMGDK-UHFFFAOYSA-N
rxn:1:62106:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,WNGBSUIGNXRCOY-UHFFFAOYSA-N
rxn:1:62107:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,ZGQRQQZCCLZCNU-UHFFFAOYSA-N
rxn:1:62110:9274,CN(CCn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccccc4)C4=C3C(=O)CCC4)c3ccccc32)nn1)c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O,QNWIIMUQSBZEMX-UHFFFAOYSA-N
rxn:1:62112:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,CTMOEASXUAXRIM-UHFFFAOYSA-N
rxn:1:62113:9293,N#CC1=C(N)Oc2cc(O)ccc2C1c1cc(Br)ccc1OCc1cn(C2CCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)nn1,GTMONKLMKDZMKJ-UHFFFAOYSA-N
rxn:1:62114:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,WMYKEZXSDOSSSW-UHFFFAOYSA-N
rxn:1:62115:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,ZGUOIOHAHGNVCX-UHFFFAOYSA-N
rxn:1:62116:9278,N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,MFRBLOQZMDDRBX-UHFFFAOYSA-N
rxn:1:62116:9290,N#CC1=C(N)Oc2cc3c(cc2C1c1cc(Br)ccc1OCc1cn(CC2CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C2)nn1)OCO3,SZPQBUGKLAVZPZ-UHFFFAOYSA-N
rxn:1:62130:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn2)c2ccccc21,WLCKVPZBFCSWJR-UHFFFAOYSA-N
rxn:1:62130:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn2)c2ccccc21,FMYKSXPEZIJZHW-UHFFFAOYSA-N
rxn:1:62136:9361,Nc1ncnc2c1nc(-n1cc(-c3cccc(NC(=O)CN4C(=O)c5c(I)c(I)c(I)c(I)c5C4=O)c3)nn1)n2C1OC(CO)C(O)C1O,DXPAWTTXDHARSZ-UHFFFAOYSA-N
rxn:1:64865:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccccc4-n4cnnn4)C3)nn1)CC2,ULTADYOPEVBZQG-UHFFFAOYSA-N
rxn:1:64865:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccccc4-n4cnnn4)C3)nn1)CC2,GHYKRXOFBBDIHC-UHFFFAOYSA-N
rxn:1:41016:30868,COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,LBALRLVOTNRYCX-UHFFFAOYSA-N
rxn:1:43010:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC#Cc4ccc(NC(N)=O)cc4)nn3)CC2)CC1,XBIGJRRFLVCJFI-UHFFFAOYSA-N
rxn:1:49142:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccc4c(c3)CCC(=O)N4)nn1)c1ccccc12,ZDKAMHUVBWLCFU-UHFFFAOYSA-N
rxn:1:49148:9352,CC(C(=O)Nc1cccc(-c2cn(CCC(O)C(O)c3ccc4ncnc(N)c4c3)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,ZTGZJFXGPOTSSO-UHFFFAOYSA-N
rxn:1:50573:9883,Cn1c(=O)[nH]c(=O)c2c(C3C(=O)N(Cc4cn(CC5C(c6ccc7[nH]c(=O)[nH]c7c6)C5(F)F)nn4)c4ccccc43)c(-c3ccc(Cl)cc3)[nH]c21,TTXRHXDOWCGJEG-UHFFFAOYSA-N
rxn:1:51496:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc(-n6ncc(C#N)c6N)cc5)C4(F)F)nn3)CC2)CC1,ZGRKLYNTFNPGFS-UHFFFAOYSA-N
rxn:1:61616:9352,CC(C(=O)Nc1cccc(-c2cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,UMZURYQBIXQNDN-AFPYHTFMSA-N
rxn:1:62101:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2ccccc21,SQIWFXFSPROQGL-UHFFFAOYSA-N
rxn:1:62102:9672,N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,XFNRBTCOXQHDGQ-UHFFFAOYSA-N
rxn:1:62107:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,SESLUPLHKOMGRN-UHFFFAOYSA-N
rxn:1:62108:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c2ccccc21,HQSODIPCSLCCCZ-UHFFFAOYSA-N
rxn:1:62110:9252,CN(CCn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)c3ccccc32)nn1)c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O,GQHKVANEZSBDPY-UHFFFAOYSA-N
rxn:1:62110:9281,CN(CCn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4cccc(Cl)c4)C4=C3C(=O)CC(C)(C)C4)c3ccccc32)nn1)c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O,WTEUXGPGAZSTCV-UHFFFAOYSA-N
rxn:1:62112:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,BEURUKWHNOMZDM-UHFFFAOYSA-N
rxn:1:62113:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,FPUNPPRGIQJJAN-UHFFFAOYSA-N
rxn:1:62114:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2ccccc21,DTMZVECCBLKKLU-UHFFFAOYSA-N
rxn:1:62115:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,UUBFUOIERCYSNK-UHFFFAOYSA-N
rxn:1:62116:9032,CCSc1nc2c(c(=O)[nH]1)C1(C(=O)N(Cc3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)c3ccccc31)C(C#N)=C(N)N2,LNNVXDGUDAUSLD-UHFFFAOYSA-N
rxn:1:62116:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,PILGDPHJUZDEFA-UHFFFAOYSA-N
rxn:1:62117:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,AUKSDBWBKVBRDA-UHFFFAOYSA-N
rxn:1:62119:9252,CN(CCn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)c3ccccc32)nn1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,HSQPSJGPULITGS-UHFFFAOYSA-N
rxn:1:62119:9293,CN(CCn1cc(COc2ccc(Br)cc2C2C(C#N)=C(N)Oc3cc(O)ccc32)nn1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,OSAJJPFMGPQKDT-UHFFFAOYSA-N
rxn:1:62269:9352,CC(C(=O)Nc1cccc(-c2cn(CC3OC(n4cnc5c(N)ncnc54)C(O)C3O)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,HTWFQGRMJGVBFG-UHFFFAOYSA-N
rxn:1:62368:9252,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(-n5cc(CN6C(=O)C7(C(C#N)=C(n8cccc8)N(c8ccc(F)cc8)C8=C7C(=O)CC(C)(C)C8)c7ccccc76)nn5)c4s3)CC2)O1,WFQWRICZCGAXEP-SAUCOOFJSA-N
rxn:1:62803:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CC(=O)N(C4CCN(CC5CCCO5)CC4)C3)nn1)c1ccccc12,WOFNHTBSLDXWNT-UHFFFAOYSA-N
rxn:1:65260:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-n5cnnn5)c4)C3)nn1)CC2,FHMFGYHJGUQGTN-UHFFFAOYSA-N
rxn:1:44403:30629,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cnccn8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DCFYUUQTHXOKSD-NPWBKDFUSA-N
rxn:1:44403:30669,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccncc8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,YIVVIXHWLVIRHC-AJIPIVBFSA-N
rxn:1:44403:30724,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,GRFZRGLBOIWSOK-AJIPIVBFSA-N
rxn:1:44403:30856,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,LFSSXIAKNRDGCW-RIFWCAFISA-N
rxn:1:49286:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC(O)C(O)c3ccnc4cc(Cl)ccc34)nn1)c1ccccc12,SFWLXJHQSLUXNU-UHFFFAOYSA-N
rxn:1:49447:9321,N#CC1=C(N)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)OC2)C12C(=O)N(Cc1cn(CCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,DGSKQGLSROKLAF-UHFFFAOYSA-N
rxn:1:61565:30629,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cnccn8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DCFYUUQTHXOKSD-XLEUSPLQSA-N
rxn:1:61565:30691,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccccn8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,FULMZNDAGHYWSA-AUMCTINHSA-N
rxn:1:61714:9361,O=C(CN1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O)Nc1cccc(-c2cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn2)c1,UVVITDYLPIJOEV-FOAOCOCBSA-N
rxn:1:62099:9274,CN(CCn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccccc4)C4=C3C(=O)CCC4)c3ccccc32)nn1)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O,IXCNJYYORIUMLL-UHFFFAOYSA-N
rxn:1:62106:9237,O=C1CCC(N2C(=O)c3ccc(N4CCC(Cn5cc(COc6ccc(Cl)cc6C6C7=C(CCCC7=O)NC7=C6C(=O)CCC7)nn5)C4)cc3C2=O)C(=O)N1,DMZZDCXPPIDKTE-UHFFFAOYSA-N
rxn:1:62106:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,JZMLJAFPOCGENU-UHFFFAOYSA-N
rxn:1:62113:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,UGBTZJILFCMRQC-UHFFFAOYSA-N
rxn:1:62114:9237,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(COc6ccc(Cl)cc6C6C7=C(CCCC7=O)NC7=C6C(=O)CCC7)nn5)CC4)cc3C2=O)C(=O)N1,BTVMGTNWHDFAPA-UHFFFAOYSA-N
rxn:1:62114:9290,N#CC1=C(N)Oc2cc3c(cc2C1c1cc(Br)ccc1OCc1cn(CC2CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC2)nn1)OCO3,WTSJJOPNGIBKND-UHFFFAOYSA-N
rxn:1:62115:8468,N#CC1=C(N)Oc2nc(SCc3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)nc(N)c2C1c1cccc(F)c1,MEWWSZYAZACITJ-UHFFFAOYSA-N
rxn:1:62115:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,DDXFEIGQUOUFIE-UHFFFAOYSA-N
rxn:1:62115:9721,CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1cccc(OCc2cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c1,FFKGVFMVWPAYGJ-UHFFFAOYSA-N
rxn:1:62115:9861,Cc1n[nH]c2c1C(c1cc(Br)ccc1OCc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)C(C#N)=C(N)O2,PKFUMJQCYIZUGM-UHFFFAOYSA-N
rxn:1:62115:9883,Cn1c(=O)[nH]c(=O)c2c(C3C(=O)N(Cc4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)c4ccccc43)c(-c3ccc(Cl)cc3)[nH]c21,JFOKNCMJSUTYNH-UHFFFAOYSA-N
rxn:1:62116:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,YLYJHNZGHQJEHC-UHFFFAOYSA-N
rxn:1:62126:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,BRNLLEIESRCZBS-UHFFFAOYSA-N
rxn:1:62127:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,YUDUZHTVBKFJDJ-UHFFFAOYSA-N
rxn:1:62239:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn([C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c2ccccc21,AMYQPJPXRODJGZ-RRQSRTORSA-N
rxn:1:62360:9252,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(F)cc6)C6=C5C(=O)CC(C)(C)C6)c5ccccc54)nn3)ccc1-2,UHKLWMGKKVYLMI-UHFFFAOYSA-N
rxn:1:62639:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CC(=O)N(C[C@H]4CCC[C@@H](CN)C4)C3)nn1)c1ccccc12,BOUKLZHGKYRETO-FMFQHRNPSA-N
rxn:1:62782:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CC(=O)N(C(C(=O)O)C4CCCC4)C3)nn2)c2ccccc21,OXYKFNLMZBWWDQ-UHFFFAOYSA-N
rxn:1:49046:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCC(O)C(O)c3c[nH]c4c(Cl)ncnc34)nn2)c2ccccc21,JXCNRGNXXOPREQ-UHFFFAOYSA-N
rxn:1:49448:9278,N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,FVNMXFKBJPBJGQ-UHFFFAOYSA-N
rxn:1:49448:9287,N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,CKFXNKVSIFNWQR-UHFFFAOYSA-N
rxn:1:49449:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c2ccccc21,OELRUXBQHGJFPJ-UHFFFAOYSA-N
rxn:1:61457:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(Cc3ccc(C(=O)N4CCC(O)CC4)s3)nn2)c2ccccc21,UHCFDZATPMVKMD-UHFFFAOYSA-N
rxn:1:61565:30669,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccncc8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,YIVVIXHWLVIRHC-XRMKWBFGSA-N
rxn:1:61565:30713,Cc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)c4ccccc43)C3=C2CCCC3=O)cc1,BZCKSCQRHHDFJM-QZLPWWBWSA-N
rxn:1:61565:30908,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,VDMIDNXMYLTCLL-IWTCTLAZSA-N
rxn:1:61924:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn2)c2ccccc21,FJHPANIDSHAIBH-UHFFFAOYSA-N
rxn:1:62102:9278,N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,MOZDNIOJQWCQQR-UHFFFAOYSA-N
rxn:1:62104:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2ccccc21,YXGCHQGSWICSGC-UHFFFAOYSA-N
rxn:1:62105:9861,Cc1n[nH]c2c1C(c1cc(Br)ccc1OCc1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)C(C#N)=C(N)O2,YNILMSGHZQNMFB-UHFFFAOYSA-N
rxn:1:62108:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c2ccccc21,HVXHHZMIWICJAW-UHFFFAOYSA-N
rxn:1:62112:9274,N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,XPSZNGGJCIHBMR-UHFFFAOYSA-N
rxn:1:62112:9761,COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OCc1cn(C2CCCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)nn1,ZQTFJVUSDAOXOD-UHFFFAOYSA-N
rxn:1:62115:10184,Cc1cc(-c2c(C)sc3nc(C(C)C)n(Cc4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)c(=O)c23)ccc1Cl,SBKLHXWHICHMAL-UHFFFAOYSA-N
rxn:1:62115:9293,N#CC1=C(N)Oc2cc(O)ccc2C1c1cc(Br)ccc1OCc1cn(CC2CCCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)nn1,GHVYRZUOCSQENH-UHFFFAOYSA-N
rxn:1:62116:9237,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(COc6ccc(Cl)cc6C6C7=C(CCCC7=O)NC7=C6C(=O)CCC7)nn5)C4)cc3C2=O)C(=O)N1,OWXXXXMAULHKJY-UHFFFAOYSA-N
rxn:1:62123:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,WAQYQVBVFIWTKU-UHFFFAOYSA-N
rxn:1:62368:9268,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(-n5cc(CN6C(=O)C7(C(C#N)=C(n8cccc8)N(c8ccc(Br)cn8)C8=C7C(=O)CCC8)c7ccccc76)nn5)c4s3)CC2)O1,RVIYKZDWEKSTGS-HYDAOVLMSA-N
rxn:1:63081:9268,CN1CCN(c2ccc(N3CC(Cn4cc(CN5C(=O)C6(C(C#N)=C(n7cccc7)N(c7ccc(Br)cn7)C7=C6C(=O)CCC7)c6ccccc65)nn4)CC3=O)nc2)CC1,WAZOQPKJEAJLBW-UHFFFAOYSA-N
rxn:1:63270:9252,COc1ccc(-c2cc(N3CC(Cn4cc(CN5C(=O)C6(C(C#N)=C(n7cccc7)N(c7ccc(F)cc7)C7=C6C(=O)CC(C)(C)C7)c6ccccc65)nn4)CC3=O)on2)cc1,NZSHXGRIPMKWNH-UHFFFAOYSA-N
rxn:1:44403:30602,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cscn8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CEZRVUAQPMOQNV-UERKADJPSA-N
rxn:1:44403:30628,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC(C7CCN(C(=O)c8cnccn8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,NRTJWQTVXVJCMS-HCYOCAQKSA-N
rxn:1:44403:30630,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cnccn8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CCFRINANFKVMGB-ADZSCEJKSA-N
rxn:1:44403:30635,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccc(F)cc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,QCDDXKPZNDODIA-TYHORNJWSA-N
rxn:1:44403:30636,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccc(F)cc8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,ISVZMYCUZYCCAS-WUICIRBBSA-N
rxn:1:44403:30908,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,VDMIDNXMYLTCLL-FCUYDPNFSA-N
rxn:1:49462:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)CC2)CC1,JGIWRFSIKSQOAY-PHUITYRESA-N
rxn:1:51470:9882,COC(=O)c1cc2ccc(C3C(Cn4cc(CN5C(=O)C(c6c(-c7ccc(OC)cc7)[nH]c7c6c(=O)n(C)c(=O)n7C)c6ccccc65)nn4)C3(F)F)cc2[nH]1,QKMRPIUUYCSHAY-UHFFFAOYSA-N
rxn:1:61493:9281,CCN1CCN(C(=O)c2ccc(Cn3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6cccc(Cl)c6)C6=C5C(=O)CC(C)(C)C6)c5ccccc54)nn3)s2)CC1,VAYMVNWSDICSOY-UHFFFAOYSA-N
rxn:1:61565:30647,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccnn8C)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MYOGIOIISDUOKL-XLEUSPLQSA-N
rxn:1:61565:30665,Cc1cc2n(n1)CCCN(C(=O)c1ccncc1)CCCC1(CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC1)CN(C)C2=O,LSKHYUJQYJSAMM-DWDPIALQSA-N
rxn:1:61565:30679,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cccnc8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,LQMOGKWYWKGVPG-XRMKWBFGSA-N
rxn:1:61565:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CC2,GKPIZHPSAPCGEM-BBQGXMIJSA-N
rxn:1:61565:30724,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,GRFZRGLBOIWSOK-XRMKWBFGSA-N
rxn:1:61565:30914,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCOCC8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,KZRXNBVJWYVZCG-CTGFJFBKSA-N
rxn:1:61565:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CC2,SCNGMMAJDQDHRS-RQLZIQQZSA-N
rxn:1:61565:30938,Cc1cc2n(n1)CCCCN(C(=O)C1CC(F)(F)C1)CCCC1(CCCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C1)CN(C)C2=O,WUMGXQVRLACCTI-MJZBFSCFSA-N
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rxn:1:62052:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)CC2)CC1,LGYLRILDMCSOIH-UHFFFAOYSA-N
rxn:1:62087:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c2ccccc21,ISQRGFKROHSJTP-OKPYTJOXSA-N
rxn:1:62111:9237,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(COc6ccc(Cl)cc6C6C7=C(CCCC7=O)NC7=C6C(=O)CCC7)nn5)CC4)cc3C2=O)C(=O)N1,PAXRIBMQZGXNGW-UHFFFAOYSA-N
rxn:1:62112:10230,CCc1sc2nc(CC)n(Cc3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)c(=O)c2c1-c1cccs1,PYGRQLUBEQMKSL-UHFFFAOYSA-N
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rxn:1:62115:9713,Cc1cc(C=C2SC(=O)N(Cc3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1,WWWKBLQXRXWERG-UHFFFAOYSA-N
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rxn:1:62116:9861,Cc1n[nH]c2c1C(c1cc(Br)ccc1OCc1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)C(C#N)=C(N)O2,WOKOXHDALCOUOH-UHFFFAOYSA-N
rxn:1:62117:9232,CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)C2=C1CCCC2=O,UMBPMLUNWVTCBZ-UHFFFAOYSA-N
rxn:1:62117:9293,N#CC1=C(N)Oc2cc(O)ccc2C1c1cc(Br)ccc1OCc1cn(CC2CN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)nn1,HRXCSXJUUFYTJI-UHFFFAOYSA-N
rxn:1:62257:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c2ccccc21,ISQRGFKROHSJTP-RJDZXKSWSA-N
rxn:1:63080:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cc5)C4)nn3)CC2)CC1,ZDOYVALTBHBTMF-UHFFFAOYSA-N
rxn:1:63082:9252,CN1CCN(c2ccccc2N2CC(Cn3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(F)cc6)C6=C5C(=O)CC(C)(C)C6)c5ccccc54)nn3)CC2=O)CC1,ATIMMFMEGCNJHH-UHFFFAOYSA-N
rxn:1:44403:30615,Cc1cc2n(n1)CCCCN(C(=O)c1scnc1C)CCCC1(CCCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C1)CN(C)C2=O,LMUIQVVACZFETN-YUHAVFNESA-N
rxn:1:44403:30620,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccc(Cl)c(Cl)c8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,TYHPWLGSKSDMBO-ZLQSSJQZSA-N
rxn:1:44403:30648,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccnn8C)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,ZITLSJYPICZADV-ADZSCEJKSA-N
rxn:1:44403:30877,Cc1cnccc1C(=O)N1CCCOc2ccc(F)cc2C(=O)NCC2(CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CC1,AAHKKSAUEACWCU-UUNVNSTKSA-N
rxn:1:44403:30909,Cc1cc2n(n1)CCCCN(C(=O)c1cncc(F)c1)CCCC1(CCCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C1)CN(C)C2=O,UNPYIKBEHFETEC-BBPIVFLMSA-N
rxn:1:44403:30914,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCOCC8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,KZRXNBVJWYVZCG-ZCBSCZAWSA-N
rxn:1:44403:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CC2,SCNGMMAJDQDHRS-DVEUWUDXSA-N
rxn:1:44403:30933,Cc1cc2n(n1)CCCCN(C(=O)c1ccc(F)cn1)CCCC1(CCCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C1)CN(C)C2=O,OTMSNEXZYGKPAL-GUVSXQRLSA-N
rxn:1:54481:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4C(c5cnc(C(=O)O)c(N)c5)C4(F)F)nn3)CC2)CC1,ZPXMVCBUHWJHJU-UHFFFAOYSA-N
rxn:1:61459:9281,CN1CCN(C(=O)c2ccc(Cn3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6cccc(Cl)c6)C6=C5C(=O)CC(C)(C)C6)c5ccccc54)nn3)s2)CC1,KRZWOUAVMVEUHC-UHFFFAOYSA-N
rxn:1:61565:30877,Cc1cnccc1C(=O)N1CCCOc2ccc(F)cc2C(=O)NCC2(CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CC1,AAHKKSAUEACWCU-GMLVUHJOSA-N
rxn:1:61565:30907,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC(C7CCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,UDLSGTDHNCWZSD-OMYOTGFWSA-N
rxn:1:61597:30940,Cc1cc(=O)oc2cc(O[C@@H]3OC4COC(c5ccccc5)O[C@@H]4C(O)C3n3cc(C(=O)N4CCCC5(CCCN(C(=O)C6CC(F)(F)C6)CCCCn6nccc6C(=O)N(C)C5)C4)nn3)ccc12,QMPPJCKZKYOMBQ-APQSDUDSSA-N
rxn:1:61714:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn2)c2ccccc21,OJWCHVFQQCAIRK-HPYXRGGWSA-N
rxn:1:62086:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c2ccccc21,AMYQPJPXRODJGZ-DHSLEGTDSA-N
rxn:1:62087:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c2ccccc21,AMYQPJPXRODJGZ-OKPYTJOXSA-N
rxn:1:62099:9268,CN(CCn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(Br)cn4)C4=C3C(=O)CCC4)c3ccccc32)nn1)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O,WMISDAOOUVWPQT-UHFFFAOYSA-N
rxn:1:62101:9237,O=C1CCC(N2C(=O)c3ccc(N4CCC(n5cc(COc6ccc(Cl)cc6C6C7=C(CCCC7=O)NC7=C6C(=O)CCC7)nn5)CC4)cc3C2=O)C(=O)N1,ZNRTUNJMVFLNBJ-UHFFFAOYSA-N
rxn:1:62111:9274,N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,NYPSWFFJBLHRCH-UHFFFAOYSA-N
rxn:1:62111:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2ccccc21,QSLDECOMQNJICV-UHFFFAOYSA-N
rxn:1:62115:9846,Cc1nn(-c2nc3ccccc3s2)c2c1C(c1ccc(OCc3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)cc1)SCC(=O)N2,MGYXQDJHCADLEA-UHFFFAOYSA-N
rxn:1:62136:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4C4OC(CO)C(O)C4O)nn3)CC2)CC1,JGIWRFSIKSQOAY-UHFFFAOYSA-N
rxn:1:62271:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c2ccccc21,FHSYZYYXXPQCDE-UHFFFAOYSA-N
rxn:1:62943:9281,CC(=O)N1CCc2cc(N3CC(Cn4cc(CN5C(=O)C6(C(C#N)=C(n7cccc7)N(c7cccc(Cl)c7)C7=C6C(=O)CC(C)(C)C7)c6ccccc65)nn4)CC3=O)ccc21,RDMBWONASBVJDE-UHFFFAOYSA-N
rxn:1:63081:9252,CN1CCN(c2ccc(N3CC(Cn4cc(CN5C(=O)C6(C(C#N)=C(n7cccc7)N(c7ccc(F)cc7)C7=C6C(=O)CC(C)(C)C7)c6ccccc65)nn4)CC3=O)nc2)CC1,XDMZKCXHKYIRPX-UHFFFAOYSA-N
rxn:1:63932:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ncnc6c5cnn6C)C4)nn3)CC2)CC1,BAPFEZCHGLDAKG-UHFFFAOYSA-N
rxn:1:44399:30613,Cc1cc(N)c(N)cc1C#CCCn1cc(C(=O)N2CCC(C3CCN(C(=O)c4scnc4C)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1,ZJSRDVRPSOJDSE-UHFFFAOYSA-N
rxn:1:44403:30647,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccnn8C)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MYOGIOIISDUOKL-NPWBKDFUSA-N
rxn:1:44403:30893,Cc1nc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCCN(C(=O)c4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)C3)CCC2)co1,KFVAWONWQVKXQD-KJFNQHPESA-N
rxn:1:44403:30897,Cc1cc2n(n1)CCCCN(C(=O)c1ccn(C)n1)CCCC1(CCCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C1)CN(C)C2=O,CUXKVBSRBWMLPJ-BCYOIYAGSA-N
rxn:1:44403:30902,Cc1cc2n(n1)CCCN(C(=O)c1cncc(F)c1)CCCC1(CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC1)CN(C)C2=O,REPWDKXPTRGIJN-VUQNLFIXSA-N
rxn:1:44403:30924,Cc1cc2n(n1)CCCCN(C(=O)c1ncoc1C)CCCC1(CCCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C1)CN(C)C2=O,RDAXGLNBYANGKA-YUHAVFNESA-N
rxn:1:44403:30938,Cc1cc2n(n1)CCCCN(C(=O)C1CC(F)(F)C1)CCCC1(CCCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C1)CN(C)C2=O,WUMGXQVRLACCTI-PXXGXWOBSA-N
rxn:1:49445:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCNC3=CC(=O)N(C4CCC(=O)NC4=O)C3=O)nn2)c2ccccc21,VVHZNWOIGYWIJR-UHFFFAOYSA-N
rxn:1:54729:6294,Cc1ccc(N2C(=O)N=C(O)C(=Cc3cn(Cc4cn(CCC5C(c6c[nH]c7ccc(C#N)cc67)C5(F)F)nn4)c4ccccc34)C2=O)cc1,XJAOKVBZDFSMAV-UHFFFAOYSA-N
rxn:1:54887:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CCC3C(c4ccc5ncc(C(=O)O)c(O)c5c4)C3(F)F)nn1)c1ccccc12,JJTJYGIZRLEKHI-UHFFFAOYSA-N
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rxn:1:61474:9252,CN1CCCN(C(=O)c2ccc(Cn3cc(CN4C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(F)cc6)C6=C5C(=O)CC(C)(C)C6)c5ccccc54)nn3)s2)CC1,QWTRGLSMEKHICE-UHFFFAOYSA-N
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rxn:1:44403:30182,Cc1nn2c(C)c1CN(Cc1ccc(C#N)cc1)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,WCZVNNKJDOEEMU-AITWRULWSA-N
rxn:1:44403:30236,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCCCC8)CCCCOc8ccccc8C(=O)NC7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,XQMBEIDZMCKMKS-MBNDKILASA-N
rxn:1:44403:30518,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1cncc(F)c1)CCCC1(CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC1)CN(C)C2=O,ZFKKCQIEAFWBQR-KTUUUQQCSA-N
rxn:1:44403:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)CC3)CC2)co1,BPXNACVLUIYDAI-PRHKLIPKSA-N
rxn:1:49002:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5nc(N)sc5c4)nn3)CC2)CC1,IVJHMUZVGZPICE-UHFFFAOYSA-N
rxn:1:54330:39223,O=C1NC(=O)N(c2cccnc2)C(=O)C1=Cc1cn(Cc2cn(CCC3C(c4c[nH]c5cc(Cl)ccc45)C3(F)F)nn2)c2ccccc12,UAPUWGUROKBUGI-UHFFFAOYSA-N
rxn:1:60574:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)C(=N)SC3=NCCN3)nn1)CC2,JLMBBNXQOYWUGI-UHFFFAOYSA-N
rxn:1:60658:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn2)CC3)cn1,BVMDKFOAJYANMS-UHFFFAOYSA-N
rxn:1:61478:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)s3)nn1)CC2,GULDCOOKBCVAJH-UHFFFAOYSA-N
rxn:1:61491:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(Cc4ccc(C(=O)N5CC(C)CC(C)C5)s4)nn2)CC3)cn1,RQWYRXSJUGUHHC-UHFFFAOYSA-N
rxn:1:61565:29985,Cc1ncsc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCC1,XWOSNJMVLHFTFK-NVSFSLSESA-N
rxn:1:61565:30003,Cc1nccc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)C3)c3ccccc3OCC2)n1,HKBIWVYCNBMXJQ-QJBFQSNASA-N
rxn:1:61565:30041,Cc1nc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)[C@H](C3)C(=O)NCC2)co1,AKFZDZYPCSDRNE-JCHWBVMHSA-N
rxn:1:61565:30143,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6cc(C8CC8)ccc6OCCN(C(=O)c6cccnc6)CCCN(C)C7=O)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,RCMOYMVBPDSMDM-GFMINMBNSA-N
rxn:1:61565:30252,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CC(F)(F)C8)CC8(CC8)COc8ccccc8C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,NVUIAOFJKCMAAB-SBPKGVSYSA-N
rxn:1:61565:30429,Cc1ccc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn2)CC3)cn1,QAVGSRLHKINBCS-YDNSKJTJSA-N
rxn:1:61565:30438,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@H]7C[C@@H]6C(=O)NCCCN(C(=O)c6cnco6)CCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,OKRBNVMZZOFODR-FHXUBVLFSA-N
rxn:1:61924:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn2)CC3)cn1,FPQJVWRIGZARJQ-UHFFFAOYSA-N
rxn:1:62024:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,YHTVOJSTJXSUAQ-HKFGVTHBSA-N
rxn:1:62024:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@H](O)C4O)nn3)CC2)CC1,NWFUDOODMYGXBC-YQGTXBHDSA-N
rxn:1:62024:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,OXHHZCNBZUYTLJ-GFEZPYLTSA-N
rxn:1:62086:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn2)CC3)cn1,SNVQIFOJVHLOPS-XRUQJGEASA-N
rxn:1:62107:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XKRIAROFBXLRFJ-UHFFFAOYSA-N
rxn:1:62112:30484,COc1ccc(CN2CCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,PKPLJECKQKHJGC-UHFFFAOYSA-N
rxn:1:62112:30723,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,ZLBXDRSCHKGYGF-UHFFFAOYSA-N
rxn:1:62112:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,YQNKIJLILBDDSR-UHFFFAOYSA-N
rxn:1:62112:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,ZIOXEWRVOHASGK-UHFFFAOYSA-N
rxn:1:62112:30872,Cc1cc2n(n1)CCCCN(C(=O)c1cnccc1C)CCCC1(CCCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,PVIWLVPSASQZHI-UHFFFAOYSA-N
rxn:1:62115:24480,N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,QSIIWUDPEDIHKB-UHFFFAOYSA-N
rxn:1:62115:30722,N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,NAPIVMWROVYCEC-UHFFFAOYSA-N
rxn:1:62116:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2c(Br)cc(Cl)cc21,CZLGOJSGLZKOOI-UHFFFAOYSA-N
rxn:1:62116:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2cc3c(cc21)OCCO3,MIIGTLSNPINELR-UHFFFAOYSA-N
rxn:1:62117:24445,CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,LIDOXBVWKZYHBO-UHFFFAOYSA-N
rxn:1:62126:24445,CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,HCSCCJYVVHTFST-UHFFFAOYSA-N
rxn:1:62697:30914,Cc1c(C(C)N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)CC6CCOCC6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)cnn1C,MRPZOCHEBKHSSE-UHFFFAOYSA-N
rxn:1:64865:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccccc4-n4cnnn4)C3)nn1)CC2,ONVMSDBZXHQPOT-UHFFFAOYSA-N
rxn:1:43453:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC#Cc4cccc(CN5CCCC5)c4)nn2)CC3)cn1,MAMCXOMHYLICKQ-UHFFFAOYSA-N
rxn:1:44403:30173,Cc1ocnc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C2)c2cc(C3CC3)ccc2OCC1,VZRKCNHTTMWXJD-WATPXNJJSA-N
rxn:1:44403:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,ZIMGPFQBQFXPOU-GSFYRGFLSA-N
rxn:1:44403:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CC2,YDYVPWLEIHQAEJ-UDECBMLQSA-N
rxn:1:44403:30691,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccccn8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,FULMZNDAGHYWSA-HAQLRWSPSA-N
rxn:1:44403:30736,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCCCC8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,USBMWYCUSRIOAP-AJIPIVBFSA-N
rxn:1:44403:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)CC3)CC2)c1,MDLVYKFCVBIMHV-CCYBJUCTSA-N
rxn:1:44403:30846,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCOCC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,POLAUWIAQLJJIA-AJIPIVBFSA-N
rxn:1:49462:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)CC2)CC1,QZKMUPZELMJGBH-FBDPTQBOSA-N
rxn:1:54729:30604,Cc1cc2n(n1)CCCN(C(=O)c1cscn1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(CCC3C(c4c[nH]c5ccc(C#N)cc45)C3(F)F)nn2)CCO1,BHXBPDMOZOFEDV-UHFFFAOYSA-N
rxn:1:60946:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4C[C@H](n5cc(C)c(N6CCCC6)nc5=O)O[C@@H]4CO)nn2)CC3)cn1,PTQGVKKOPPGHFG-FPRBQUIYSA-N
rxn:1:61565:30035,CCn1cc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)[C@H](C3)C(=O)NCC2)cn1,MQYLOSWUANTYBS-MFBMCAELSA-N
rxn:1:61565:30038,Cc1ocnc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)[C@H](C2)C(=O)NCC1,XXSJYLRPKHDZIK-NVSFSLSESA-N
rxn:1:61565:30570,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1coc(C)n1)CCCC1(CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC1)CN(C)C2=O,MHHWTDIMKDNKKA-DMRBIQAFSA-N
rxn:1:61597:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4C(O)[C@H]5OC(c6ccccc6)OCC5O[C@H]4Oc4ccc5c(C)cc(=O)oc5c4)nn2)CC3)cn1,SBCKVVPCPJYSMM-NWFLSRJFSA-N
rxn:1:61636:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,OGDSDTRIFVYBFV-MTTXBAGSSA-N
rxn:1:61636:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CC1,LGSFIKGBKKUZGC-FBDPTQBOSA-N
rxn:1:61636:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,OWCPOHQRLWEOEQ-WDZRAGPMSA-N
rxn:1:61636:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,GOWUDCSNCXCMPU-STGZTNIGSA-N
rxn:1:61714:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)CC2,ZLQDDSLAHQODOG-RORKFMLOSA-N
rxn:1:62024:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@H](O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,JRLVIJAVXPDNNG-HYXVPHLOSA-N
rxn:1:62024:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,ANDWSXFLQRWSSA-GFEZPYLTSA-N
rxn:1:62077:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)nn1)CC2,ZFLUFJCTRQYCPT-UHFFFAOYSA-N
rxn:1:62112:30127,CN1CCCN(C(=O)c2cscn2)CCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)C1=O,HLNQJYPTXURFFO-SSJOJVQOSA-N
rxn:1:62112:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,QHSGBMXJKUDHKM-UHFFFAOYSA-N
rxn:1:62112:30543,Cc1cc2n(n1)CC1(CC1)CN(C(=O)C1CCOCC1)CCCC1(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,KUPREJLMIFTNIS-UHFFFAOYSA-N
rxn:1:62112:30726,Cc1cc2n(n1)CCCCN(C(=O)C1CCCC1)CCCC1(CCCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,ZBXVSYGJWOWWAF-UHFFFAOYSA-N
rxn:1:62112:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,OUBZGBSGZUIVGZ-UHFFFAOYSA-N
rxn:1:62115:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,ZCKLUAGTCYQJAX-UHFFFAOYSA-N
rxn:1:62115:30438,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CC[C@H]7C[C@@H]6C(=O)NCCCN(C(=O)c6cnco6)CCOc6ccc(C8CC8)cc67)nn5)C4)cc3C2=O)C(=O)N1,AOCOVIPBRYFIJJ-YWZAKQDJSA-N
rxn:1:62115:30560,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cc(C)nn3CC3(CC3)C2)cn1,ZBIJZDOLVGDVPK-UHFFFAOYSA-N
rxn:1:62116:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CTHVXERREOLONP-UHFFFAOYSA-N
rxn:1:62126:24489,CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,NTHHJCFDGVPIAQ-UHFFFAOYSA-N
rxn:1:62272:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,RNLNDJYNCBVJIT-UHFFFAOYSA-N
rxn:1:63080:9252,CN1CCN(c2ccc(N3CC(Cn4cc(CN5C(=O)C6(C(C#N)=C(n7cccc7)N(c7ccc(F)cc7)C7=C6C(=O)CC(C)(C)C7)c6ccccc65)nn4)CC3=O)cc2)CC1,ZKZGWSROBUWGCC-UHFFFAOYSA-N
rxn:1:44403:30015,CCn1cc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCCC2)cn1,YRRWHEXYMFKARR-KZRZQPSSSA-N
rxn:1:44403:30130,Cc1ncsc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C2)c2cc(C3CC3)ccc2OCC1,WWWVLSOIDONGDL-WATPXNJJSA-N
rxn:1:44403:30195,COc1ccc(CN2CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,DNQWICRIXNPZFZ-VHRBXEAHSA-N
rxn:1:44403:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CC1,MGJASWLMSFEFSK-LJJFEQFISA-N
rxn:1:44403:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CC1,MDTLZBFYUQTNGQ-UIPKZSNCSA-N
rxn:1:49462:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,YHTVOJSTJXSUAQ-STGZTNIGSA-N
rxn:1:49462:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,LOYHJNMTPPMIAH-WDZRAGPMSA-N
rxn:1:54136:30938,Cc1cc2n(n1)CCCCN(C(=O)C1CC(F)(F)C1)CCCC1(CCCN(C(=O)c3cn(CCC4C(c5cc(C#N)ccc5F)C4(F)F)nn3)C1)CN(C)C2=O,ICSFLDOEOCXMQG-UHFFFAOYSA-N
rxn:1:61565:30130,Cc1ncsc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C2)c2cc(C3CC3)ccc2OCC1,WWWVLSOIDONGDL-RADVURISSA-N
rxn:1:61565:30167,Cc1nc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3cc(C4CC4)ccc3OCCC2)co1,DVBYNMYAUQCCIC-ZFMQZMFISA-N
rxn:1:61924:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,XQIICFXZQOLJNU-UHFFFAOYSA-N
rxn:1:62033:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(Cc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,QFJOINBDXZXKBQ-UHFFFAOYSA-N
rxn:1:62107:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,AENSQVKMDSMGPU-UHFFFAOYSA-N
rxn:1:62112:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VAHKUGBEABZWGF-UHFFFAOYSA-N
rxn:1:62112:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,JXFGBFJUTIGSGF-UHFFFAOYSA-N
rxn:1:62112:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CC2)co1,BQQIDDUXPDDGGR-UHFFFAOYSA-N
rxn:1:62113:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IYGNAQJDGCNUFP-UHFFFAOYSA-N
rxn:1:62114:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,ZDWKNLNGBFZZKX-UHFFFAOYSA-N
rxn:1:62115:29805,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6cnc8ccccc8c6)CCCOc6ccccc67)nn5)C4)cc3C2=O)C(=O)N1,ZAXJDODBUCWFGU-AJRBJMPJSA-N
rxn:1:62115:30195,COc1ccc(CN2CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,OZIPZUPHYVCTQE-UHFFFAOYSA-N
rxn:1:62115:30278,CN1CC2(CCCN(C(=O)C3CCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,QRHMWNCBTIRKEJ-UHFFFAOYSA-N
rxn:1:62115:30415,CC(C)C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VWCYWPMJJLJGDE-UHFFFAOYSA-N
rxn:1:62115:30738,CN1CC2(CCCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCCn2nccc2C1=O,OBVQXCDDJIKRTO-UHFFFAOYSA-N
rxn:1:62115:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JMJHCBLBNMEUQG-UHFFFAOYSA-N
rxn:1:62115:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,FFXXUABVGWLTNL-UHFFFAOYSA-N
rxn:1:62115:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,ALEIUFBIMCDDKO-UHFFFAOYSA-N
rxn:1:62117:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,UPGKKJZROJUCTP-UHFFFAOYSA-N
rxn:1:62117:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RJMDCZXNEZYWLG-UHFFFAOYSA-N
rxn:1:62117:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BVIGIMMQGOSRPB-UHFFFAOYSA-N
rxn:1:62239:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn2)CC3)cn1,SNVQIFOJVHLOPS-NDWOMZEPSA-N
rxn:1:44403:29831,Cc1cncc(CN2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)[C@H](C3)C(=O)NCC2)c1,ADBRDZSJEZOZEP-QIJLHADJSA-N
rxn:1:44403:29868,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(Cc8ccc9nccnc9c8)CCCOc8ccccc8C(=O)NC7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WMKXOYZDFBROOD-JVVDFPGMSA-N
rxn:1:44403:30169,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cncc(F)c6)CCCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,RHSHSNHWLCZJND-OLXUVDKBSA-N
rxn:1:49462:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)CC2)CC1,POTLIKPHJZEARL-QIYWXZEISA-N
rxn:1:53838:30766,COCC(=O)N1CCCCn2nc(C)cc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4cc(Cl)ncc4Br)C3(F)F)nn1)CC2,UDRPRGZILAZECK-UHFFFAOYSA-N
rxn:1:61475:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(Cc4ccc(C(=O)NC5CCN(C)CC5)s4)nn2)CC3)cn1,OTQBRFQPINIYTR-UHFFFAOYSA-N
rxn:1:61565:30240,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCOCC8)CCCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CIIUUDOXKTXQEM-RZVYDHEMSA-N
rxn:1:61565:30461,Cc1nc(C(=O)N2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCC2)co1,JFCPNSCOFKIMGY-JCHWBVMHSA-N
rxn:1:61565:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CC1,MDTLZBFYUQTNGQ-IMQGVHHXSA-N
rxn:1:61636:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn2)CC3)cn1,PPTVTOWVXRAHSI-WDZRAGPMSA-N
rxn:1:61650:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCc4c5oc(=O)cc(C)c5cc5c(CN)c(C)oc45)nn3)CC2)CC1,KPANUAZTCFASRZ-UHFFFAOYSA-N
rxn:1:61714:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)CC2,VSKYNLMWVQCFRJ-RAGABITOSA-N
rxn:1:62024:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,GVTFVPFKHVAMSP-HYXVPHLOSA-N
rxn:1:62102:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JGVJSKJRFPRVEE-UHFFFAOYSA-N
rxn:1:62104:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,SANNUTQEMSPLFD-UHFFFAOYSA-N
rxn:1:62105:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,DLEFDDKOGBIPHV-UHFFFAOYSA-N
rxn:1:62110:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,CGIUMDQXYLKYJM-UHFFFAOYSA-N
rxn:1:62112:29922,CC(C)n1nccc1CN1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CNC(=O)c2ccccc2OCC2(CC2)C1,WRBUIMHFIVZQRH-UHFFFAOYSA-N
rxn:1:62112:30635,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccc(F)cc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,XBEFVRHQXXDDAC-UHFFFAOYSA-N
rxn:1:62112:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,PMEVOXJWDDCAOC-UHFFFAOYSA-N
rxn:1:62113:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CRWDLGGKZVWQES-UHFFFAOYSA-N
rxn:1:62114:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,YXUNBCGHILCZIA-UHFFFAOYSA-N
rxn:1:62114:30774,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,PIDUYSBJEKBZAU-UHFFFAOYSA-N
rxn:1:62115:29906,CN1CC2(CCCN(Cc3ccc4nccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IOKLWILYNPWTCZ-UHFFFAOYSA-N
rxn:1:62115:30200,CN1CC2(CCCN(C(=O)C3CCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IVWYXNXFOOUUGK-UHFFFAOYSA-N
rxn:1:62115:30247,CN1CC2(CCCN(C(=O)C3(C)CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SFVSLSYGCFDQLZ-UHFFFAOYSA-N
rxn:1:62115:30582,CN1CC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CCCn3nccc3C1=O)CN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCO2,CFLCUOQSFUXUSJ-UHFFFAOYSA-N
rxn:1:62115:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,PVDPGWNOMZLGBJ-UHFFFAOYSA-N
rxn:1:62115:30733,CN1CC2(CCCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCn2cc(cn2)C1=O,FRRCBVCMQRNLOW-UHFFFAOYSA-N
rxn:1:62115:30819,Cc1cccc(C(=O)N2CCCCn3nc(C)cc3C(=O)N(C)CC3(CCCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)C3)CCC2)n1,YCXRQUKNJYTTMF-UHFFFAOYSA-N
rxn:1:62115:30897,Cc1cc2n(n1)CCCCN(C(=O)c1ccn(C)n1)CCCC1(CCCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,CTYLCLCHUQQVND-UHFFFAOYSA-N
rxn:1:44403:30207,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cnccn8)CCCCOc8ccccc8C(=O)NC7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,KLVAWELRANIWFN-SQVIPQLJSA-N
rxn:1:49462:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,BLZJXJVMYSGEBS-WDZRAGPMSA-N
rxn:1:49462:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,ANDWSXFLQRWSSA-WDZRAGPMSA-N
rxn:1:54621:30560,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CCC5C(c6cc(F)c(C(=O)O)c(F)c6)C5(F)F)nn4)CC3)CN(C)C(=O)c3cc(C)nn3CC3(CC3)C2)cn1,UHHZOQZZUONYQV-UHFFFAOYSA-N
rxn:1:61565:30259,CC(C)C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCCC1,VXJLFSILRATEEU-VJMDJOAGSA-N
rxn:1:61565:30602,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cscn8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CEZRVUAQPMOQNV-BBOGMCAOSA-N
rxn:1:61616:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(N)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,UHQDECOCKJERQN-WDZRAGPMSA-N
rxn:1:61714:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)CC2,UWDGXYGUCWGEJE-YJDUXVICSA-N
rxn:1:61924:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,IPKQYUHWCMWJEZ-UHFFFAOYSA-N
rxn:1:62024:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,LOYHJNMTPPMIAH-GFEZPYLTSA-N
rxn:1:62086:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,ZLFUNNRUDQBDPA-XRUQJGEASA-N
rxn:1:62102:30723,O=C1CCC(N2C(=O)c3ccc(N4CCCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,ULKTZTSBLYPISY-UHFFFAOYSA-N
rxn:1:62104:30791,O=C1CCC(N2C(=O)c3ccc(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccccc8F)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC4)cc3C2=O)C(=O)N1,LBWJIYQRYKLXKE-UHFFFAOYSA-N
rxn:1:62105:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,ZKFHRJIAYUGHBW-UHFFFAOYSA-N
rxn:1:62112:29794,CCn1cc(CN2CCCC3(CCN(C(=O)c4cn(C5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)c(C)n1,AVUROCPXBRTQEH-UHFFFAOYSA-N
rxn:1:62112:30738,CN1CC2(CCCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCCn2nccc2C1=O,JSTXSKNAUVMDFD-UHFFFAOYSA-N
rxn:1:62112:30748,CC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,OKVBMUHKBZDONI-UHFFFAOYSA-N
rxn:1:62113:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RHPCRJSIAPIGIY-UHFFFAOYSA-N
rxn:1:62113:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,PSMCXWGYUWMTGS-UHFFFAOYSA-N
rxn:1:62114:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn2)CC3)cn1,HYOYQHHCFGSGMW-UHFFFAOYSA-N
rxn:1:62114:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,HKJZDHCHJHQSOK-UHFFFAOYSA-N
rxn:1:62115:30138,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)C6CC6)CCCOc6ccc(C8CC8)cc67)nn5)C4)cc3C2=O)C(=O)N1,JDSPTDJJCZMBIZ-FNKJWFOWSA-N
rxn:1:62115:30300,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC7(CCN(Cc8ccc9nccnc9c8)CCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,JGNHJYGFVJRZLE-UHFFFAOYSA-N
rxn:1:62115:30327,Cc1nccc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3ccnn3CC2)n1,JQBULCFVOIWHAC-UHFFFAOYSA-N
rxn:1:62115:30804,Cc1cc2n(n1)CCCCN(C(=O)C1CCC1)CCCC1(CCCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,DOEPFEIYRDXXTA-UHFFFAOYSA-N
rxn:1:62115:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,YTXFGZDFUYQFEQ-UHFFFAOYSA-N
rxn:1:62115:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CC2)co1,PFVCFJYUEUESIH-UHFFFAOYSA-N
rxn:1:62117:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,ZLUBOQQCXCYKPI-UHFFFAOYSA-N
rxn:1:62117:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,ADMWEFLKLURKJL-UHFFFAOYSA-N
rxn:1:62117:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WZVXPUNFJBAXFV-UHFFFAOYSA-N
rxn:1:62126:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,VFYINDVDVIEXBX-UHFFFAOYSA-N
rxn:1:62136:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,YHTVOJSTJXSUAQ-UHFFFAOYSA-N
rxn:1:62136:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4C4OC(CO)C(O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,JRLVIJAVXPDNNG-UHFFFAOYSA-N
rxn:1:44403:30757,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCCC8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WYXPSGIOBSSRRT-ZCBSCZAWSA-N
rxn:1:44403:30836,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccon8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,OMOHMAFWRHUMLO-ADZSCEJKSA-N
rxn:1:49462:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,NJTSNJBLUIKDKS-VQALGTGMSA-N
rxn:1:54664:30938,Cc1cc2n(n1)CCCCN(C(=O)C1CC(F)(F)C1)CCCC1(CCCN(C(=O)c3cn(CCC4C(c5cc(Cl)ncc5C(F)(F)F)C4(F)F)nn3)C1)CN(C)C2=O,PCONBSUULOTRGX-UHFFFAOYSA-N
rxn:1:60628:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@H](O)[C@@H](CO)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,AOHNCTVRTALWHF-STGZTNIGSA-N
rxn:1:61493:30620,CCN1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,MHLRHCAJYIBAIX-UHFFFAOYSA-N
rxn:1:61565:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,OPGRHVXPKOOCAA-DRYROETJSA-N
rxn:1:61636:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CC1,YHMNESFVYCBRGG-QIYWXZEISA-N
rxn:1:61636:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,IPXXLAWCLLSOFX-GMNGKSPESA-N
rxn:1:61636:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,RHFKMHQWQRPJDM-WDZRAGPMSA-N
rxn:1:61636:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5nc(I)c6ncn([C@@H]7O[C@H](CO)[C@@H](O)[C@H]7O)c6n5)nn4)CC3)CC2)co1,LISCCPDFNSUUNG-CMNRHFTQSA-N
rxn:1:61636:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)N1,KYPCUABVQYHXFK-FBDPTQBOSA-N
rxn:1:61636:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CC1,UMYCEAQDRNPFDU-LGWCQSNVSA-N
rxn:1:61636:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,HIJWWJHCPWQVQI-JLGFUSEDSA-N
rxn:1:62110:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,ULXQCFXOBPPCLB-UHFFFAOYSA-N
rxn:1:62111:30738,CN1CC2(CCCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCCn2nccc2C1=O,POYJXAZZWGDAFV-UHFFFAOYSA-N
rxn:1:62112:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IPYXCWFBTGBHFK-UHFFFAOYSA-N
rxn:1:62115:24510,N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,PXMIKVSOLDOEHG-UHFFFAOYSA-N
rxn:1:62115:24553,N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,HQAOXVNEHKUQJG-UHFFFAOYSA-N
rxn:1:62115:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2cc3c(cc21)OCCO3,HSEISLFVMFFVBS-UHFFFAOYSA-N
rxn:1:62115:29889,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CC[C@H]7C[C@@H]6C(=O)NCCCN(Cc6ccncc6F)CCOc6ccccc67)nn5)C4)cc3C2=O)C(=O)N1,IZXZNEBWXZYPIQ-HMTPCLAXSA-N
rxn:1:62115:30494,COc1cncc(CN2CCCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)c1,AXQXPYBXVWZARU-UHFFFAOYSA-N
rxn:1:62115:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FVWMUHDLZWUEKC-UHFFFAOYSA-N
rxn:1:62115:30774,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,GQQPXEVQXWFZTK-UHFFFAOYSA-N
rxn:1:62115:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,JEWRYUKWJQSTEX-UHFFFAOYSA-N
rxn:1:62115:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,IYVDDRWHOYYVIU-UHFFFAOYSA-N
rxn:1:62116:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KHPPJCSADBKLIZ-UHFFFAOYSA-N
rxn:1:62126:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,JEHPZCAUDUQNGP-UHFFFAOYSA-N
rxn:1:62136:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5nc6c(N)ncnc6n5C5OC(CO)C(O)C5O)nn4)CC3)CC2)c1,UHXMHIAOJHGCHG-UHFFFAOYSA-N
rxn:1:62136:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4C4OC(CO)C(O)C4O)nn3)CC2)CC1,QZKMUPZELMJGBH-UHFFFAOYSA-N
rxn:1:62148:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)nn1)CC2,YRLDKFLVDUTDBR-UHFFFAOYSA-N
rxn:1:62234:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)nn1)CC2,PLOZKBGBUIAWOM-ZNYVPGHLSA-N
rxn:1:62541:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3C(CO)OC(n4cc(F)c(N)nc4=O)C3O)nn1)CC2,SSWPDTIXLDCNLI-UHFFFAOYSA-N
rxn:1:44000:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ccc(C[C@H](N)C(=O)O)cc4I)nn2)CC3)cn1,DGOUKYKZYJBEQI-DHUJRADRSA-N
rxn:1:44403:30254,Cc1cc(F)cc(C)c1C(=O)N1CCCn2nc(ccc2=O)C(=O)N(C)CC2(CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CC1,FKWCIXVSKSNDOI-FNXUFMOBSA-N
rxn:1:49450:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C(=O)c4cccn(Cc5ccc6c(c5)OC(F)(F)O6)c4=O)nn2)CC3)cn1,XWXDKSHBQHMORJ-UHFFFAOYSA-N
rxn:1:53596:29906,CN1CC2(CCCN(Cc3ccc4nccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(Br)cc4F)C3(F)F)nn1)CC2,FYFLPSKFDSVKCQ-UHFFFAOYSA-N
rxn:1:60395:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5ccc(C(=O)O)cc5o4)c3)nn1)CC2,OIGUJFOJSHRPPF-UHFFFAOYSA-N
rxn:1:61482:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)s3)nn1)CC2,OGMXSMOJQZYOBM-UHFFFAOYSA-N
rxn:1:61565:29840,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@H]7C[C@@H]6C(=O)NCCCN(Cc6ccc8nccnc8c6)CCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,GEHBJBXLENJDAS-NOZCOEMZSA-N
rxn:1:61565:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,RQPPTPDOYCRHAD-DRYROETJSA-N
rxn:1:61616:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc(N)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn2)CC3)cn1,FPQJVWRIGZARJQ-WDZRAGPMSA-N
rxn:1:61636:29938,O=C1NCC2(CCCN(Cc3ccc(F)cn3)CC3(CC3)COc3ccccc31)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,CDZGJEHDYNCWIR-JEQJLXBKSA-N
rxn:1:61636:29939,O=C1NCC2(CCCN(Cc3ncccc3F)CC3(CC3)COc3ccccc31)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,MFJPBANEXWOROO-JEQJLXBKSA-N
rxn:1:61636:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,WPPQBHICMOIJEM-MTTXBAGSSA-N
rxn:1:61714:30801,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCC2)CCC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)CC2)N1,HZKHDKCBNHTAEY-SBMPEULKSA-N
rxn:1:61925:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3C(CO)OC(n4cnc5c(N)ncnc54)C3O)nn1)CC2,JOSNULBIXBKWKU-UHFFFAOYSA-N
rxn:1:61965:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC4COP(=O)(O)OC4C3O)nn1)CC2,OKLRRYGHGRTEFW-UHFFFAOYSA-N
rxn:1:62076:30613,Cc1cn([C@H]2C[C@@H](n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N,IWNUQYXYBGVJSB-JHGKKEKLSA-N
rxn:1:62105:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,APOJCWHHWBRXCE-UHFFFAOYSA-N
rxn:1:62105:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RERQYYWEMSMMNQ-UHFFFAOYSA-N
rxn:1:62105:30897,Cc1cc2n(n1)CCCCN(C(=O)c1ccn(C)n1)CCCC1(CCCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,OEKSITUTRFYKIV-UHFFFAOYSA-N
rxn:1:62107:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SKDHYINSWKJQOQ-UHFFFAOYSA-N
rxn:1:62108:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CCNc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,QJBVTIUUVMMFFH-UHFFFAOYSA-N
rxn:1:62111:30801,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC4)cc3C2=O)C(=O)N1,NDZGKJQOSCOXGY-UHFFFAOYSA-N
rxn:1:62111:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,DYJDMBXBHMSCLX-UHFFFAOYSA-N
rxn:1:62112:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,MKSYFXCPNIZLNQ-UHFFFAOYSA-N
rxn:1:62112:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XWWGJOZRVYJGRL-UHFFFAOYSA-N
rxn:1:62115:30714,CN1CC2(CCCN(C(=O)C3CCCC3)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,GWUGQGREZAVBFO-UHFFFAOYSA-N
rxn:1:62116:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WEPMGOASIVFYDQ-UHFFFAOYSA-N
rxn:1:62117:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WNXKUJIEIIDIDL-UHFFFAOYSA-N
rxn:1:62136:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,NPBRLFHDDDWTBO-UHFFFAOYSA-N
rxn:1:62241:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@H]3C[C@H](O)[C@@H](CO)O3)nn1)CC2,PPPQOJCKBOBEBU-BSVYQLSHSA-N
rxn:1:62283:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccc(C(=O)NCC4O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)c3)nn1)CC2,CMANLQKHUNPWHZ-UBPOFOAQSA-N
rxn:1:44403:30143,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6cc(C8CC8)ccc6OCCN(C(=O)c6cccnc6)CCCN(C)C7=O)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,RCMOYMVBPDSMDM-LTSLWJCSSA-N
rxn:1:44403:30181,Cc1nn2c(C)c1CN(Cc1ccnc3ccccc13)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,BQPIHYINDQQYDZ-QLZFPRQWSA-N
rxn:1:44403:30446,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6cc(C8CC8)ccc6OCCCN(C(=O)c6ccon6)CCCN(C)C7=O)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,SCSNMJSQWRYECP-OFLGRTMESA-N
rxn:1:54737:30938,Cc1cc2n(n1)CCCCN(C(=O)C1CC(F)(F)C1)CCCC1(CCCN(C(=O)c3cn(CCC4C(c5ccc6nc[nH]c(=O)c6c5)C4(F)F)nn3)C1)CN(C)C2=O,HQPIEAASGSJNFQ-UHFFFAOYSA-N
rxn:1:60394:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4ccc(C(=O)O)cc4o3)nn1)CC2,SVRKNNWEHUHEIX-UHFFFAOYSA-N
rxn:1:60552:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,WOBAKUWBNXTHSM-UHFFFAOYSA-N
rxn:1:61565:29831,Cc1cncc(CN2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)[C@H](C3)C(=O)NCC2)c1,ADBRDZSJEZOZEP-HYZRXKLNSA-N
rxn:1:61565:30620,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccc(Cl)c(Cl)c8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,TYHPWLGSKSDMBO-OQHKRHHWSA-N
rxn:1:61565:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CC2,DRCZLLYFQBJQPJ-XCLSKFHJSA-N
rxn:1:61636:29929,O=C1NCC2(CCCN(Cc3ccncc3F)CC3(CC3)COc3ccccc31)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,QHDACDNNXTZHBN-JEQJLXBKSA-N
rxn:1:61636:30238,CN1CC2(CCCN(C(=O)C3CCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,COTKABLNJYGQKN-BQXNVAMJSA-N
rxn:1:61636:30239,CN1CC2(CCCN(C(=O)C3(c4ccccc4F)CC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,JFSLZAVYRPGXKH-JEQJLXBKSA-N
rxn:1:61636:30635,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccc(F)cc2)CCC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)N1,VHGMGAHVHCHCRQ-PHUITYRESA-N
rxn:1:61636:30671,CN1CC2(CCCN(C(=O)c3ccncc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,FDIFDTSOFMLEQB-XUWULSGGSA-N
rxn:1:61636:30690,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccn2)CCC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)N1,QYFOBCNNWHVTDW-KNGYOCKLSA-N
rxn:1:61713:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)nn1)CC2,OKLRRYGHGRTEFW-STGZTNIGSA-N
rxn:1:61714:30774,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,SFESHUGRYMNWFG-OLFOGYPDSA-N
rxn:1:61714:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)CC2)CC1,JLGMZOTVHULNCI-SDPUZWMASA-N
rxn:1:61922:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3C(O)C(CO)OC3n3cnc4c(N)ncnc43)nn1)CC2,WCMISHKJMISLNL-UHFFFAOYSA-N
rxn:1:62024:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,JSHJZVLAMZVZBL-MDTJXQSCSA-N
rxn:1:62110:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,VEHZWFBMKJWWOZ-UHFFFAOYSA-N
rxn:1:62113:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BMFYNATXDBHZJB-UHFFFAOYSA-N
rxn:1:62114:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,OWCHTALCVXYOPL-UHFFFAOYSA-N
rxn:1:62115:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)C1=O,DBUMZXJYYPCLDJ-IWDNQZOKSA-N
rxn:1:62115:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BDOCYMXAKGDCCI-UHFFFAOYSA-N
rxn:1:62115:30787,Cc1ccc(C(=O)N2CCCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)C3)cn1,FVAYOYNUOHIYEK-UHFFFAOYSA-N
rxn:1:62117:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FUZKTCFOVFDJIV-UHFFFAOYSA-N
rxn:1:62136:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,XABBJXSKDHAURC-UHFFFAOYSA-N
rxn:1:62136:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,FITRIPBDSGICDK-UHFFFAOYSA-N
rxn:1:62136:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,OGZITBFVUXUOSB-UHFFFAOYSA-N
rxn:1:62272:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)nn2)CC3)cn1,SNVQIFOJVHLOPS-UHFFFAOYSA-N
rxn:1:44403:30035,CCn1cc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)[C@H](C3)C(=O)NCC2)cn1,MQYLOSWUANTYBS-BLVDQPHYSA-N
rxn:1:44403:30828,CCn1cc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn2)C3)cn1,NCFIRQQLINXCPG-BIHCTVSRSA-N
rxn:1:54359:30479,Cc1cc2n(n1)CCCN(Cc1nccs1)CCCC1(CCN(C(=O)c3cn(CCC4C(c5ccc6nc(Cl)sc6c5)C4(F)F)nn3)CC1)CN(C)C2=O,RKHPERCJBBUILD-UHFFFAOYSA-N
rxn:1:60392:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(C(=O)O)cccc4o3)nn1)CC2,OURYNLLQAXSOSH-UHFFFAOYSA-N
rxn:1:60396:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(C(=O)O)ccc4o3)nn1)CC2,LMWWBSLZEWPYBI-UHFFFAOYSA-N
rxn:1:60451:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(S(=O)(=O)O)ccc4o3)nn1)CC2,KWFCODHZJOLVKJ-UHFFFAOYSA-N
rxn:1:61067:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,RXKWDHYQNJIUKH-UHFFFAOYSA-N
rxn:1:61422:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)o3)nn1)CC2,MHUWTCQXKGDMRU-UHFFFAOYSA-N
rxn:1:61565:29877,COc1ncc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCC2)cn1,LWMXTOFZONERMZ-MKICGWQRSA-N
rxn:1:61616:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(N)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CC1,XZQDLUPPYURACH-QIYWXZEISA-N
rxn:1:61616:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,IPKQYUHWCMWJEZ-STGZTNIGSA-N
rxn:1:61636:30692,CN1CC2(CCCN(C(=O)c3ccccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,BSECQLJJHRZKQS-XUWULSGGSA-N
rxn:1:62027:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(COc4nc(N)nc5[nH]cnc45)cc3)nn1)CC2,XEWCYQUZDPYUDF-UHFFFAOYSA-N
rxn:1:62033:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,PTBUMUDAQRHIMO-UHFFFAOYSA-N
rxn:1:62056:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)nn1)CC2,YRLDKFLVDUTDBR-STGZTNIGSA-N
rxn:1:62105:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,YANOBFDAEOKCJQ-UHFFFAOYSA-N
rxn:1:62108:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,CCGSPHXWXMJKRV-UHFFFAOYSA-N
rxn:1:62112:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,OPZWRKNTKMOVKL-UHFFFAOYSA-N
rxn:1:62112:30708,CCCC(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,UDCCNTFZRXLGMI-UHFFFAOYSA-N
rxn:1:62112:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,PMQAVCGGTHWCQP-UHFFFAOYSA-N
rxn:1:62113:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,TULZBXZULLMPEB-UHFFFAOYSA-N
rxn:1:62113:30723,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,PEPZLKWHAVYEHP-UHFFFAOYSA-N
rxn:1:62113:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FKSBVCJTQFPQTA-UHFFFAOYSA-N
rxn:1:62115:30427,Cc1ccc(C(=O)N2CCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,YXGGFRUVHHIWCA-UHFFFAOYSA-N
rxn:1:62116:24489,CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,OJKFQYMIPSSMOJ-UHFFFAOYSA-N
rxn:1:62117:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,GTBIUXIQXCTNEU-UHFFFAOYSA-N
rxn:1:62117:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,AWTBZJCOJYIDGJ-UHFFFAOYSA-N
rxn:1:62117:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SVRKSZIVBFJMLN-UHFFFAOYSA-N
rxn:1:62136:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,OXHHZCNBZUYTLJ-UHFFFAOYSA-N
rxn:1:62257:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,ZLFUNNRUDQBDPA-YTPGTJBYSA-N
rxn:1:62271:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,JVZHUDVYCBCDPH-UHFFFAOYSA-N
rxn:1:62290:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(CO)OC(n4cnc5c(N)ncnc54)C(O)C3O)nn1)CC2,NRBKKXZXPXRAQZ-UHFFFAOYSA-N
rxn:1:63315:30620,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)c(OC)n1,ZWEUXXUUOMUTRQ-UHFFFAOYSA-N
rxn:1:44403:30011,CCc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCCC1,AJSYXQMSQKZGKV-OOLIPDMXSA-N
rxn:1:44403:30017,Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCCC1,ZFYFSGZSDIQIIY-IHQDUYDOSA-N
rxn:1:44403:30438,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@H]7C[C@@H]6C(=O)NCCCN(C(=O)c6cnco6)CCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,OKRBNVMZZOFODR-IATLKGBKSA-N
rxn:1:49462:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,OGZITBFVUXUOSB-WDZRAGPMSA-N
rxn:1:49462:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,OXHHZCNBZUYTLJ-WDZRAGPMSA-N
rxn:1:49462:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,JRLVIJAVXPDNNG-XUWULSGGSA-N
rxn:1:54594:29912,COc1cncc(CN2CCCC3(CCN(C(=O)c4cn(CCC5C(c6ccc(Br)cc6C(F)(F)F)C5(F)F)nn4)CC3)CN(C)C(=O)c3cnn(c3)CC2)c1,IYLQIWDNNLYCAY-UHFFFAOYSA-N
rxn:1:61424:30620,CN1CC(NC(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)o2)CC1=O,IFRCISKUNQRPKM-UHFFFAOYSA-N
rxn:1:61427:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)o3)nn1)CC2,FBKOLEBDBQUWHB-UHFFFAOYSA-N
rxn:1:61467:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCNC(=O)C4)s3)nn1)CC2,QBLBEAVUXUYYLF-UHFFFAOYSA-N
rxn:1:61478:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)s3)nn1)CC2,JJUXBKOPCLVSOR-UHFFFAOYSA-N
rxn:1:61565:30486,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(Cc8ccn9ccnc9c8)CCCCOc8ccccc8C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,QMJSVMRLTJAUSP-WJRVAZFBSA-N
rxn:1:61636:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,VDTLFOGJQNHILO-ZOXBLHLASA-N
rxn:1:61636:30250,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,BURJPAHCKABVBG-NZZAPXTDSA-N
rxn:1:61636:30348,Cc1noc(C)c1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,YLPOKISDNLXXBJ-ZLXUNRMYSA-N
rxn:1:61636:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn2)CC3)cn1,ZHCZUUHHTLHPLY-STGZTNIGSA-N
rxn:1:61714:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)CC2,FRDWNPHEPCSWCZ-RKAHMBOHSA-N
rxn:1:62027:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(COc4nc(N)nc5[nH]cnc45)cc3)nn1)CC2,YHFZDGOGDGLXOO-UHFFFAOYSA-N
rxn:1:62027:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(COc4nc(N)nc5[nH]cnc45)cc3)nn1)CC2,UKDVXTLTXDLSEU-UHFFFAOYSA-N
rxn:1:62103:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JEBXESJXEFGSJU-UHFFFAOYSA-N
rxn:1:62105:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,MFVGFMMLXXMYOL-UHFFFAOYSA-N
rxn:1:62106:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,AZVGGDCWUIEMFN-UHFFFAOYSA-N
rxn:1:62106:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,PBSQADPWHAXZQP-UHFFFAOYSA-N
rxn:1:62110:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c2c(Br)cc(Cl)cc21,BUHZUGZEYSZPRF-UHFFFAOYSA-N
rxn:1:62111:30727,Cc1cc2n(n1)CCCCN(C(=O)C1CCCC1)CCCC1(CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC1)CN(C)C2=O,UGPMCUIGQVKKTI-UHFFFAOYSA-N
rxn:1:62113:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,ABMNIZQNJNGMOI-UHFFFAOYSA-N
rxn:1:62113:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XBUKZSXRRLPQAV-UHFFFAOYSA-N
rxn:1:62113:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,YBRLDFSQOOUJNJ-UHFFFAOYSA-N
rxn:1:62115:29916,COc1ncc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)cn1,RJGHRUYWTUAKAC-UHFFFAOYSA-N
rxn:1:62115:30209,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CFPNFUIMTJWQLZ-UHFFFAOYSA-N
rxn:1:62115:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SZASQKGFHJTKIZ-UHFFFAOYSA-N
rxn:1:62116:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CC2)co1,PGHCGUQTXLXELI-UHFFFAOYSA-N
rxn:1:62117:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HJJQMGLJFIXBSL-UHFFFAOYSA-N
rxn:1:62130:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,SSIDHFPPRRQBBN-UHFFFAOYSA-N
rxn:1:62148:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)nn1)CC2,DIWKEZVYRRIMEH-UHFFFAOYSA-N
rxn:1:49477:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(S(=O)(=O)c5cc(C)cc(C)c5)CC4)nn2)CC3)cn1,ILXXEOLWGDNYAH-UHFFFAOYSA-N
rxn:1:53828:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(F)cnc4Cl)C3(F)F)nn1)CC2,XHUAUXTZGIVANM-UHFFFAOYSA-N
rxn:1:59684:30620,CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](n2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)[C@H]1O,STQIYMDODDPLNI-QBMFPLKLSA-N
rxn:1:61463:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCCC4)s3)nn1)CC2,SYTOQGMMHNTYIS-UHFFFAOYSA-N
rxn:1:61636:30602,CN1CC2(CCCN(C(=O)c3cscn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,PRUPBOZMTALGNG-ZOXBLHLASA-N
rxn:1:61636:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,HTEIZNAYFUJQGN-STGZTNIGSA-N
rxn:1:61954:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(CO)OC(n4ccc(N)nc4=O)C(F)C3O)nn1)CC2,OAZBJJHITZZMLW-UHFFFAOYSA-N
rxn:1:62024:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,FITRIPBDSGICDK-HKFGVTHBSA-N
rxn:1:62052:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn1)CC2,VMHUJFNCTWNIJT-UHFFFAOYSA-N
rxn:1:62075:30675,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](OCCCn7cc(C(=O)N8CCC9(CCN(C(=O)c%10cccnc%10)CCCOc%10ccc(F)cc%10C(=O)NC9)CC8)nn7)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,DVMMEVPLRNAQGW-WFJMRNQGSA-N
rxn:1:62099:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,CCEVHBVFQRBYKC-UHFFFAOYSA-N
rxn:1:62102:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,KHMAHVRLJSGMMW-UHFFFAOYSA-N
rxn:1:62105:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,NKFJSHYIPZZPQE-UHFFFAOYSA-N
rxn:1:62107:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FKTHGUYVDNBKJH-UHFFFAOYSA-N
rxn:1:62110:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCN(C)c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn2)CC3)cn1,YHLFSELZYLKIFW-UHFFFAOYSA-N
rxn:1:62110:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,JGMPUUAZQSIQIG-UHFFFAOYSA-N
rxn:1:62111:30915,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3nccc3C1=O)CCCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)C2,HWGVDYPZBICJRL-UHFFFAOYSA-N
rxn:1:62112:30499,Cc1cc2n(n1)CCCN(C1CCN(c3ncccn3)CC1)CCCC1(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,YNUBFBVBKGKIHZ-UHFFFAOYSA-N
rxn:1:62112:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BUGKQTCOPAHOPX-UHFFFAOYSA-N
rxn:1:62113:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KJUJSWOMFBRWJG-UHFFFAOYSA-N
rxn:1:62114:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,IHZDODNPBZWBSM-UHFFFAOYSA-N
rxn:1:62114:30733,CN1CC2(CCCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCn2cc(cn2)C1=O,KWKOGSWMFZVLOK-UHFFFAOYSA-N
rxn:1:62115:29948,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6ccccc6OCCN(Cc6ccc8nccnc8c6)CCCNC7=O)nn5)C4)cc3C2=O)C(=O)N1,WGCJBPJWOFFEAR-DPVJYEIPSA-N
rxn:1:62115:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,QPLNBYIXMVMFEI-UHFFFAOYSA-N
rxn:1:62115:30765,COCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,OCFSROSCVAQODZ-UHFFFAOYSA-N
rxn:1:62115:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BWPBJZRIDXHURZ-UHFFFAOYSA-N
rxn:1:62115:30872,Cc1cc2n(n1)CCCCN(C(=O)c1cnccc1C)CCCC1(CCCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,BULZVNRBFIWHSR-UHFFFAOYSA-N
rxn:1:62116:30748,CC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HCWWLAALZRWGAE-UHFFFAOYSA-N
rxn:1:62117:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,YSBZRLUJCQRWAA-UHFFFAOYSA-N
rxn:1:62136:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,LOYHJNMTPPMIAH-UHFFFAOYSA-N
rxn:1:62136:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,ANDWSXFLQRWSSA-UHFFFAOYSA-N
rxn:1:62303:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@]3(CO)O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O)nn1)CC2,XWMJKQINVAQJBR-YIMJYPJGSA-N
rxn:1:62492:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)nn1)CC2,DKXSGXDDCGMPBH-UHFFFAOYSA-N
rxn:1:62622:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N([C@H]4CCCC[C@@H]4N(C)C)C3)nn1)CC2,QRAFRGMBJFJTKL-ACLHFTIQSA-N
rxn:1:63080:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(N7CCN(C)CC7)cc6)C5)nn4)CC3)CC2)co1,TWKUDVPBYXFEBO-UHFFFAOYSA-N
rxn:1:43879:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,JVASVJQFBNYYMV-BVLGMLIUSA-N
rxn:1:44403:30177,Cc1nn2c(C)c1CN(Cc1cnn(C)c1)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,LPJLNVOOWRUNNB-XGTRYSSESA-N
rxn:1:49461:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(S(=O)(=O)c5cn(CC)c(C)n5)CC4)nn2)CC3)cn1,JCDWCCDVUZTYFF-UHFFFAOYSA-N
rxn:1:49461:30869,CCn1cc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2)nc1C,ULHLLPRQHPDNRT-UHFFFAOYSA-N
rxn:1:54721:30237,Cc1ccccc1C(=O)N1CCCn2nc(ccc2=O)C(=O)N(C)CC2(CCN(C(=O)c3cn(CCC4C(c5ccc6c(Cl)ncnc6c5)C4(F)F)nn3)CC2)CC1,DKJYBCTUWKOBLN-UHFFFAOYSA-N
rxn:1:59357:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(CO)OC(n4ccc(N)nc4=O)C(O)C3O)nn1)CC2,DYQDGCWHSMPOBC-UHFFFAOYSA-N
rxn:1:59675:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c(=O)[nH]c3=O)nn1)CC2,MNXTXVMCIXMFOF-KOPYTRMOSA-N
rxn:1:60397:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(C(=O)O)ccc5o4)c3)nn1)CC2,XPSKXDYUVJQTTD-UHFFFAOYSA-N
rxn:1:60445:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(S(C)(=O)=O)ccc4o3)nn1)CC2,CPBWTHBONDKHIE-UHFFFAOYSA-N
rxn:1:61470:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)CC2)CC1,ZYGAPLHRLFKELB-UHFFFAOYSA-N
rxn:1:61565:30015,CCn1cc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCCC2)cn1,YRRWHEXYMFKARR-GRBJNVTLSA-N
rxn:1:61616:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(N)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CC1,DPELYVFCTDZXBA-FBDPTQBOSA-N
rxn:1:61636:29906,CN1CC2(CCCN(Cc3ccc4nccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,HLKOLYHGBYUGQC-JEQJLXBKSA-N
rxn:1:61636:30220,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,JENKVQUAJUZEJF-ONGLYRFXSA-N
rxn:1:61636:30668,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccncc2)CCC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)N1,SUQYHERVZIBURC-FBDPTQBOSA-N
rxn:1:61636:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,JKZPDNVEGIAOAB-MTTXBAGSSA-N
rxn:1:61924:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,KEOVQXXIARWJBL-UHFFFAOYSA-N
rxn:1:62052:30586,COc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5nc6c(=N)n7cnc6n5C5OC(COP(=O)(O)OP(=O)(O)OCC6OC7C(O)C6O)C(O)C5O)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cc1,RWCOESPLCORNFC-UHFFFAOYSA-N
rxn:1:62077:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)nn1)CC2,PXMWEUKESZIESD-UHFFFAOYSA-N
rxn:1:62103:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RZOBVLKLZVWDET-UHFFFAOYSA-N
rxn:1:62104:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,GXXIWFZJLPHREL-UHFFFAOYSA-N
rxn:1:62105:29916,COc1ncc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)cn1,MBSWMFBCSLGKDL-UHFFFAOYSA-N
rxn:1:62105:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XCVINJWGMRHVSF-UHFFFAOYSA-N
rxn:1:62106:30723,O=C1CCC(N2C(=O)c3ccc(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,FJIHNNPLBIPZJG-UHFFFAOYSA-N
rxn:1:62108:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,SLBLAMKPDTZWAY-UHFFFAOYSA-N
rxn:1:62108:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,YUVZQTHVJLKDIU-UHFFFAOYSA-N
rxn:1:62110:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,QPTDUNYYNKBVBK-UHFFFAOYSA-N
rxn:1:62113:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ULMLZTCBTFJURL-UHFFFAOYSA-N
rxn:1:62114:30804,Cc1cc2n(n1)CCCCN(C(=O)C1CCC1)CCCC1(CCCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C1)CN(C)C2=O,MSQCWQXJBKQUHI-UHFFFAOYSA-N
rxn:1:62115:29897,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CC[C@H]7C[C@@H]6C(=O)NCCCN(Cc6ccc(Cl)cn6)CCOc6ccccc67)nn5)C4)cc3C2=O)C(=O)N1,FEGZNQZNWHFQNO-HMTPCLAXSA-N
rxn:1:62115:30228,CN1CC2(CCCN(C(=O)CC3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CGCHKBSMAMHQNJ-UHFFFAOYSA-N
rxn:1:62241:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc5c(N)ncnc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)nn2)CC3)cn1,JCXRPZHVSXOLTD-BSVYQLSHSA-N
rxn:1:63002:30620,CCN1CCC(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)CC1,GMIMOZUGDWTWQR-UHFFFAOYSA-N
rxn:1:51515:30350,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc5c(c4)C(C)(C)c4ccccc4-5)C3(F)F)nn1)CC2,MUIFOYYASYBFIH-UHFFFAOYSA-N
rxn:1:59628:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(C(=O)c4cnccn4)CC3)nn1)CC2,SZSKLNKPJNTJFN-UHFFFAOYSA-N
rxn:1:60009:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,NDXXKJDRIUTLBJ-LIFCFFGOSA-N
rxn:1:60224:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,MJAZMKIGFIXLIH-UHFFFAOYSA-N
rxn:1:60399:30620,CC(=O)c1cccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)oc12,AJKLMGKNUXGLRC-UHFFFAOYSA-N
rxn:1:60412:30613,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,HWDZPLVOBYLGAL-UHFFFAOYSA-N
rxn:1:60413:30613,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7scnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,KJMSFJBRZBBPBE-UHFFFAOYSA-N
rxn:1:61478:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCS(=O)(=O)C5)s4)nn3)CC2)CC1,JHMKKLXZLSNKFD-UHFFFAOYSA-N
rxn:1:61565:30177,Cc1nn2c(C)c1CN(Cc1cnn(C)c1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,LPJLNVOOWRUNNB-ULPOGNSZSA-N
rxn:1:61565:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,XUDIHWKOGKIFGC-HBESADSPSA-N
rxn:1:61616:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,LXXJOOJQORSGLB-WDZRAGPMSA-N
rxn:1:61636:30164,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn2)c2cc(C3CC3)ccc2OCCC1,RGZDBYKDBVKMTN-IZPMPFLHSA-N
rxn:1:61636:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,XNKIRBQIGKKXDG-STGZTNIGSA-N
rxn:1:61636:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5nc(I)c6ncn([C@@H]7O[C@H](CO)[C@@H](O)[C@H]7O)c6n5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,GLAOJRWZXYOFKW-MTTXBAGSSA-N
rxn:1:61924:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,LAKCXAVLAOXOBX-UHFFFAOYSA-N
rxn:1:62062:30620,Cc1cn([C@H]2C[C@@H](n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,BWFXPLSCXAPRAM-QJUVWIGKSA-N
rxn:1:62077:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(-c5ccccc5-c5nnn[nH]5)cc4)nn3)CC2)CC1,CPOGQGSWRSESSH-UHFFFAOYSA-N
rxn:1:62099:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCN(C)c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,RSBHFFIPAZHSDP-UHFFFAOYSA-N
rxn:1:62104:30801,O=C1CCC(N2C(=O)c3ccc(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC4)cc3C2=O)C(=O)N1,SZDWLWWEQRYUIM-UHFFFAOYSA-N
rxn:1:62105:30774,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,WRSQIQOJGYETMI-UHFFFAOYSA-N
rxn:1:62105:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RSCZCFDNNZDLDX-UHFFFAOYSA-N
rxn:1:62112:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2c(Br)cc(Cl)cc21,GVYYRJJMDAXXBD-UHFFFAOYSA-N
rxn:1:62112:30130,Cc1ncsc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,UKEALTKDXUOBGX-ZFKIQYHXSA-N
rxn:1:62113:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WZJNWNPIQZWSFO-UHFFFAOYSA-N
rxn:1:62114:30592,COc1ccccc1C(=O)N1CCCCn2nc(C)cc2C(=O)N(C)CC2(CCCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)CCC1,GYYLKXGJSLJSRD-UHFFFAOYSA-N
rxn:1:62114:30765,COCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,KZVRNLMOPUUCIM-UHFFFAOYSA-N
rxn:1:62115:30882,Cc1cc2n(n1)CCCCN(C(=O)c1ccncc1C)CCCC1(CCCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,UKLWYTDHAHLXRT-UHFFFAOYSA-N
rxn:1:62116:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,BVMNMTVGZFJFSK-UHFFFAOYSA-N
rxn:1:62136:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc5c(N)ncnc5n4C4OC(CO)C(O)C4O)nn2)CC3)cn1,LYSPKLHIHOOJRX-UHFFFAOYSA-N
rxn:1:62298:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3CO)nn1)CC2,NJVQADHBRQQPBO-ISVWDLEJSA-N
rxn:1:62360:30907,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)ccc1-2,JFDRDMDIMLYRMJ-UHFFFAOYSA-N
rxn:1:49290:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,QWBAQPWAVDKUOE-LHEWISCISA-N
rxn:1:49474:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(S(=O)(=O)c5ccc(C)c(C)c5)CC4)nn2)CC3)cn1,PSHCCIMFKXEYMJ-UHFFFAOYSA-N
rxn:1:51216:29904,CN1CC2(CCCN(Cc3ccc4ncccc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(-c5c[nH]cn5)cc4)C3(F)F)nn1)CC2,UFAOKQZUVKCZJX-UHFFFAOYSA-N
rxn:1:59676:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)c(=O)[nH]c3=O)nn1)CC2,MNXTXVMCIXMFOF-CQZDDEPXSA-N
rxn:1:59699:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,FTANWBHSYHJHMU-ZFXISCRVSA-N
rxn:1:59779:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn1)CC2,GIVBBFOQWIRCKG-UHFFFAOYSA-N
rxn:1:60134:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(=O)NC3C(O)OC(CO)[C@H](O)[C@H]3O)nn1)CC2,XWZPZMXCMLYGMJ-DTBLWUHLSA-N
rxn:1:60224:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CC1,QDNQFSQWTLDZSS-UHFFFAOYSA-N
rxn:1:60226:30620,CC(=O)N1CCC(C(=O)N2CCC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2)CC1,WIYBTFIVMQEXPD-UHFFFAOYSA-N
rxn:1:60412:30907,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,AFIZXGBHUDQJFD-UHFFFAOYSA-N
rxn:1:60416:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cccc(Br)c5o4)nn3)CC2)CC1,VSISCGAZGVDHRQ-UHFFFAOYSA-N
rxn:1:60427:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5ccc(Br)cc5o4)nn3)CC2)CC1,XWNURHGJHKGOKF-UHFFFAOYSA-N
rxn:1:60428:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6ccc(Br)cc6o5)c4)nn3)CC2)CC1,HIDQLDZGTXMXCR-UHFFFAOYSA-N
rxn:1:60455:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(Cl)cc([N+](=O)[O-])c6o5)c4)nn3)CC2)CC1,YIWPEZATZKLBDK-UHFFFAOYSA-N
rxn:1:60483:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(C(=O)O)ccc5[nH]4)c3)nn1)CC2,MTURDSLYHAOUBT-UHFFFAOYSA-N
rxn:1:61616:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,SLOSJMWUYZUFQX-WDZRAGPMSA-N
rxn:1:61632:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@@H]4[C@H](Oc5ccc([N+](=O)[O-])cc5Cl)O[C@H](CO)[C@H](O)[C@@H]4O)nn3)CC2)CC1,ZSSURLIITXBJGJ-KXHMUDDQSA-N
rxn:1:61636:30648,CN1CC2(CCCN(C(=O)c3ccnn3C)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,YKRSCFYWXGTFSW-MTTXBAGSSA-N
rxn:1:61636:30791,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccc2F)CCC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)N1,TUXJZGGPCBCLFR-PHUITYRESA-N
rxn:1:61924:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn3)CC2)CC1,XZQDLUPPYURACH-UHFFFAOYSA-N
rxn:1:61924:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,PVQFXUYXPGCPLZ-UHFFFAOYSA-N
rxn:1:61924:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,XDGMPAMSEUMLEM-UHFFFAOYSA-N
rxn:1:62024:30249,Cc1cc(F)cc(C)c1C(=O)N1CCCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,WLEQWDZZRVIQGW-PNDHNPDFSA-N
rxn:1:62110:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,FOQSMMWWRHMGMJ-UHFFFAOYSA-N
rxn:1:62112:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,OATWULSERPUAAY-UHFFFAOYSA-N
rxn:1:62115:30492,Cc1cc2n(n1)CCCN(Cc1cc(C#N)ccc1F)CCCC1(CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,JDSMMUBHWNSDRG-UHFFFAOYSA-N
rxn:1:62130:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,JPFXWTZSOPMTOS-UHFFFAOYSA-N
rxn:1:63080:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cc5)C4)nn3)CC2)CC1,ROPKTMRVZQOXQE-UHFFFAOYSA-N
rxn:1:63197:30620,COC(=O)c1n[nH]cc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,MDYIRBSAADOELF-UHFFFAOYSA-N
rxn:1:43617:30620,CC#CCn1c(C#CCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)nc2c1c(=O)[nH]c(=O)n2C,XMPMRWIWYMEHKA-UHFFFAOYSA-N
rxn:1:43879:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)CC2)CC1,HSJDAFILLAVNGR-GSYAORPISA-N
rxn:1:43879:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,DQTJLWSIPYVJHW-CDBBDQOESA-N
rxn:1:43945:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3F)nn1)CC2,FQYILXRAWQWFLT-WEYPRACISA-N
rxn:1:44403:29808,CCn1ccnc1CN1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCCC1,MJEHNYMEWMSMKF-BIHVCZRMSA-N
rxn:1:53914:29904,CN1CC2(CCCN(Cc3ccc4ncccc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4c(F)cc(F)cc4F)C3(F)F)nn1)CC2,PHQWZVWCFXXTNW-UHFFFAOYSA-N
rxn:1:60009:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,IKOFVSIYITXZGR-YGOQTLHOSA-N
rxn:1:60412:30868,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,JAPCYPHCHPSZKW-UHFFFAOYSA-N
rxn:1:60474:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c6c(ccc5[nH]4)C(=O)c4ccccc4C6=O)nn3)CC2)CC1,KTHPUKREMSXUEZ-UHFFFAOYSA-N
rxn:1:60561:30907,N=C(Sc1ncccn1)C(F)(F)c1cccc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c1,FDOGIPPKUZELMI-UHFFFAOYSA-N
rxn:1:61565:30161,Cc1nn2c(C)c1CN(C(=O)c1cccnn1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,OHEFZOHIFDEHIF-ZMDHEVDSSA-N
rxn:1:61565:30856,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,LFSSXIAKNRDGCW-PBEFSZOISA-N
rxn:1:61616:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,SKMFWHOOSIXLDD-STGZTNIGSA-N
rxn:1:61616:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,QNWSLOUCXYIDDD-WDZRAGPMSA-N
rxn:1:61636:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,FVJIDHFSVDKYIZ-VHZYGSBASA-N
rxn:1:61703:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cc([N+](=O)[O-])cc5sn(C)c(=O)c45)nn3)CC2)CC1,PGINZPWCSMHMMR-UHFFFAOYSA-N
rxn:1:61714:30162,O=C1NCCCN(C(=O)C2CCOCC2)CCCOc2ccc(C3CC3)cc2[C@@H]2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)[C@H]1C2,CNKGOEWOHLAJJP-KJSRUGQPSA-N
rxn:1:61714:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)CC2)CC1,FRZYIYWCROKOCG-LYFVDHOTSA-N
rxn:1:61924:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,SKMFWHOOSIXLDD-UHFFFAOYSA-N
rxn:1:61924:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,QNWSLOUCXYIDDD-UHFFFAOYSA-N
rxn:1:62101:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,XNWDPZVWRNLNQD-UHFFFAOYSA-N
rxn:1:62102:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,UHIBBRDLRGWNGM-UHFFFAOYSA-N
rxn:1:62112:30774,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,WKSNUJGCAKTIRG-UHFFFAOYSA-N
rxn:1:62113:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,QRZRWCONAVHSTJ-UHFFFAOYSA-N
rxn:1:62114:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,UBCBCXUILYYRDN-UHFFFAOYSA-N
rxn:1:62115:30178,Cc1nn2c(C)c1CN(Cc1nc3ccccc3n1C)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,LUNPRZJLBLANMY-UHFFFAOYSA-N
rxn:1:62115:30334,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC7CC6c6ccccc6OCCN(Cc6ncccn6)CCCNC7=O)nn5)C4)cc3C2=O)C(=O)N1,MEWJBKXNTDYDMC-UHFFFAOYSA-N
rxn:1:62115:30515,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ccncc1C)CCCC1(CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,YGQUAIVICLJTHK-UHFFFAOYSA-N
rxn:1:62115:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WUAWMVAVBZWNPX-UHFFFAOYSA-N
rxn:1:62116:30791,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccccc8F)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,SQEGQSIKNLREOB-UHFFFAOYSA-N
rxn:1:62116:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,JGGZSVMLUHZBCP-UHFFFAOYSA-N
rxn:1:63088:30613,CNC(=O)c1ccc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1,JXPKRGSJIXZZTM-UHFFFAOYSA-N
rxn:1:43879:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn2)CC3)cn1,GREAGTCSAKIDSR-BVLGMLIUSA-N
rxn:1:49290:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,XETAJPKMCMBPOB-LHEWISCISA-N
rxn:1:53921:29909,CN1CC2(CCCN(Cc3nccs3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4c(F)cc(Br)cc4Br)C3(F)F)nn1)CC2,LUAMPOWGIUQLQL-UHFFFAOYSA-N
rxn:1:59693:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4cn([C@H]5C[C@H](O)[C@@H](CO)O5)c(=O)[nH]c4=O)nn3)CC2)CC1,ZMHBXBBHGMPRSO-PTHMKNEBSA-N
rxn:1:60009:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,CQCDGOGUCLVSAJ-JFDROPRKSA-N
rxn:1:60009:30698,CN1CC2(CCCN(C(=O)c3ccccc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,VHEMHHKORNTKMB-LIFCFFGOSA-N
rxn:1:60009:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)cn1,NGEUZYUFBBKFNY-LIFCFFGOSA-N
rxn:1:60102:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3OC(n4ccc(N)nc4=O)CC3O)nn1)CC2,WTUJSDXHRZZAFE-UHFFFAOYSA-N
rxn:1:60412:30628,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,PHAZMLZQLAMIOU-UHFFFAOYSA-N
rxn:1:60413:30658,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)C7CC7)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,ILIAYDCCGLYGBX-UHFFFAOYSA-N
rxn:1:60413:30921,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7ncoc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,DITYIBDCXPJZAN-UHFFFAOYSA-N
rxn:1:60439:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c(N)cccc6o5)c4)nn3)CC2)CC1,SFVGMANMIJDDSV-UHFFFAOYSA-N
rxn:1:60537:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc([N+](=O)[O-])ccc6n5C)c4)nn3)CC2)CC1,QTIQPOYOHLMYNR-UHFFFAOYSA-N
rxn:1:61475:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCN(C)CC5)s4)nn3)CC2)CC1,WQANMHAFQFIDNW-UHFFFAOYSA-N
rxn:1:61636:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CCNC(=O)c1cccc(c1)OCCC2,OGUPLXYOCXFDPX-KPSGRSMESA-N
rxn:1:61924:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,KUCYPZCVXTZPLR-UHFFFAOYSA-N
rxn:1:61965:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC4COP(=O)(O)OC4C3O)nn1)CC2,WCNGRTXJFCMQCC-UHFFFAOYSA-N
rxn:1:62102:29794,CCn1cc(CN2CCCC3(CCN(C(=O)c4cn(C5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)c(C)n1,VIDVCUOOIZWIAM-UHFFFAOYSA-N
rxn:1:62108:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCNc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)CC2)CC1,NTZOWUYFODHDBG-UHFFFAOYSA-N
rxn:1:62112:30240,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,UOXVBRVZLSPVRI-UHFFFAOYSA-N
rxn:1:62112:30300,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC7(CCN(Cc8ccc9nccnc9c8)CCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,SOJUBUUXHXKPLZ-UHFFFAOYSA-N
rxn:1:62112:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,OCCRQKGNRAMZGC-UHFFFAOYSA-N
rxn:1:62114:30515,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ccncc1C)CCCC1(CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC1)CN(C)C2=O,NQEBHKIOTXKNDQ-UHFFFAOYSA-N
rxn:1:62114:30565,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1cnccc1C)CCCC1(CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC1)CN(C)C2=O,BQMOHEHGQJGPCN-UHFFFAOYSA-N
rxn:1:62115:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XOQPTXSULHKAHE-UHFFFAOYSA-N
rxn:1:62117:24435,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,NCELCZOCGSYJFD-UHFFFAOYSA-N
rxn:1:62130:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,LFBHHIZSKKHUJF-UHFFFAOYSA-N
rxn:1:62368:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cc(C(F)(F)F)cc6c(=O)nc(N7CCC8(CC7)OC[C@H](C)O8)sc56)nn4)CC3)CC2)co1,WIRRWNWAZVPCOK-GFDSEFBSSA-N
rxn:1:62831:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N([C@H]4CCc5nc(N)sc5C4)C3)nn1)CC2,SXXMCBAJFQAPPO-JXTSYGIPSA-N
rxn:1:63320:30620,COc1nc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,IHMYXUVGWPGRSF-UHFFFAOYSA-N
rxn:1:43879:30628,Nc1ncnc2c1ncn2[C@@H]1O[C@@](CI)(n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)[C@@H](O)[C@H]1O,RUEYYZZQMYBEHQ-JBULLMGOSA-N
rxn:1:49462:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,XUUJNUKHEAMBMX-WDZRAGPMSA-N
rxn:1:53924:30485,Cc1csc(CN2CCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC4C(c5cc(Cl)c(F)c(Cl)c5)C4(F)F)nn2)CC3)n1,BLUMDJHPJJCRPX-UHFFFAOYSA-N
rxn:1:60009:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,UZKONMWOSBWGEN-LIFCFFGOSA-N
rxn:1:60009:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,AIQRPOIAAMTZDX-ALKIKZFASA-N
rxn:1:60009:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,KFJSQYWWGUATKR-JFDROPRKSA-N
rxn:1:60390:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,ZTAUTCQLPZNSTH-UHFFFAOYSA-N
rxn:1:60412:30668,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,SNVVZEXLCFKCTA-UHFFFAOYSA-N
rxn:1:60412:30829,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnco6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,NRLXUAKABUNPOV-UHFFFAOYSA-N
rxn:1:60412:30921,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,MRCPDAJFBCCSJJ-UHFFFAOYSA-N
rxn:1:60422:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(Br)ccc6o5)c4)nn3)CC2)CC1,FOCLCNJEPPEPAO-UHFFFAOYSA-N
rxn:1:60446:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(S(C)(=O)=O)ccc6o5)c4)nn3)CC2)CC1,VXIOUZNMZJUZSO-UHFFFAOYSA-N
rxn:1:60509:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(C#N)ccc5[nH]4)nn3)CC2)CC1,XOCSTSSETSLIQZ-UHFFFAOYSA-N
rxn:1:60559:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)C(=N)Sc5nccn5C)c4)nn3)CC2)CC1,OVSWAVUZWCBEOL-UHFFFAOYSA-N
rxn:1:60730:30907,CC(=O)N[C@@H]1[C@@H](O)[C@@H]2OC(c3ccccc3)OC[C@H]2O[C@@H]1n1cc(C(=O)N2CCC(C3CCN(C(=O)c4cncc(F)c4)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1,ODSJNMNTWJNGBT-NEPDWPBWSA-N
rxn:1:61478:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCS(=O)(=O)C5)s4)nn3)CC2)CC1,QSYZLDANFUESAO-UHFFFAOYSA-N
rxn:1:61636:29936,O=C1NCC2(CCCN(Cc3cncc(F)c3)CC3(CC3)COc3ccccc31)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,JDKROSGHPULOMU-JEQJLXBKSA-N
rxn:1:61904:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(O)[C@H](O)[C@@H](CO)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,PHLIZUSJHNYDSU-HZWQAJNASA-N
rxn:1:61924:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,LXXJOOJQORSGLB-UHFFFAOYSA-N
rxn:1:62102:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SDQDAVUIZVKICP-UHFFFAOYSA-N
rxn:1:62102:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,ABPYQKSOMLHZQT-UHFFFAOYSA-N
rxn:1:62105:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,KTCHXMPCTVWPRD-UHFFFAOYSA-N
rxn:1:62111:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,HOHJKCVLSJSJGQ-UHFFFAOYSA-N
rxn:1:62111:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn2)CC3)cn1,OIAMFQNYNAAMEL-UHFFFAOYSA-N
rxn:1:62112:30173,Cc1ocnc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,ZKMDDTGWLZATKA-ZFKIQYHXSA-N
rxn:1:62113:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,XFOGZBCZMBVIMS-UHFFFAOYSA-N
rxn:1:62115:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2c(Br)cc(Cl)cc21,AISGUOVJMDYGIC-UHFFFAOYSA-N
rxn:1:62115:29937,Cc1ccc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)nc1,VLPRXQFGCMUYJJ-UHFFFAOYSA-N
rxn:1:62115:30598,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC7(CCN(C(=O)c8cscn8)CCCOc8ccc(F)cc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,YOMRAZLHDRXYPG-UHFFFAOYSA-N
rxn:1:62269:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3OC(n4cnc5c(N)ncnc54)C(O)C3O)nn1)CC2,FTANWBHSYHJHMU-UHFFFAOYSA-N
rxn:1:62297:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn1)CC2,ITBIORRPKXARCW-UHFFFAOYSA-N
rxn:1:63231:30850,COc1cc(Br)ccc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,YHNNNSHZLWTCRS-UHFFFAOYSA-N
rxn:1:43879:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,UHGCLTSZEMUYIA-BVLGMLIUSA-N
rxn:1:54318:30350,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4c[nH]c5ncc(Br)cc45)C3(F)F)nn1)CC2,GJRUYDJGBZRDRT-UHFFFAOYSA-N
rxn:1:60009:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FYLWAYDLEHQJMR-UTVRUGRBSA-N
rxn:1:60009:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,SLDCNLNDJOKTLJ-NWFVACIHSA-N
rxn:1:60009:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,KEIKXJGGXWEWPL-JFDROPRKSA-N
rxn:1:60009:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FENYVWMEZDMEKM-LIFCFFGOSA-N
rxn:1:60009:30787,Cc1ccc(C(=O)N2CCCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)C3)cn1,VZRDRQIIADUJKZ-ZGHOWQPZSA-N
rxn:1:60009:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,VZQBWLOYLHTYJH-LIFCFFGOSA-N
rxn:1:60009:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)cn1,PGSMLXPZOSZLMH-JFDROPRKSA-N
rxn:1:60009:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FHBLBTXYPFXSKP-JFDROPRKSA-N
rxn:1:60009:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,ILXSEUOMYGSTON-YGENRYQBSA-N
rxn:1:60137:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@H]4[C@H](Oc5ccc([N+](=O)[O-])cc5Cl)O[C@H](CO)[C@@H](O)[C@@H]4O)nn3)CC2)CC1,VGUZFAJFNOPLTB-WVGCRONISA-N
rxn:1:60444:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(N)c(O)cc6o5)c4)nn3)CC2)CC1,WTKAMFCZHZBUOI-UHFFFAOYSA-N
rxn:1:60445:30189,CCn1ccnc1CN1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)c3nc4cc(S(C)(=O)=O)ccc4o3)nn2)CCNC(=O)c2cccc(c2)OCCCn2nc(C)c(c2C)C1,RVXIYCFZRFRCMJ-UHFFFAOYSA-N
rxn:1:60447:30868,COC(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,ZLHYJHJYUAQJCZ-UHFFFAOYSA-N
rxn:1:60485:30613,Cc1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1C,TXSFOLZSWCTJHD-UHFFFAOYSA-N
rxn:1:60538:30850,COC(=O)c1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,SRPHDZHSNYZRTR-UHFFFAOYSA-N
rxn:1:61436:30850,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,DQGWSQYLUQCSNN-UDMRQUEHSA-N
rxn:1:61464:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCCCC5)s4)nn3)CC2)CC1,CSKQLIXTEDMDNQ-UHFFFAOYSA-N
rxn:1:61480:30620,CN1CC(NC(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1=O,CFOLMEFJHZJHBV-UHFFFAOYSA-N
rxn:1:61921:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3C(O)C(CO)OC3n3ccc(N)nc3=O)nn1)CC2,WAZVCBUYFBUCGW-UHFFFAOYSA-N
rxn:1:61923:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(O)C(O)C(CO)OC3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,PHLIZUSJHNYDSU-UHFFFAOYSA-N
rxn:1:61924:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,MTUFXWOVVIHEBI-UHFFFAOYSA-N
rxn:1:62024:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5nc6c(N)ncnc6n5[C@@H]5O[C@H](CO)[C@H](O)C5O)nn4)CC3)CC2)c1,UHXMHIAOJHGCHG-LLSOSRFNSA-N
rxn:1:62102:30733,CN1CC2(CCCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCn2cc(cn2)C1=O,QIKMZBNDBRABRG-UHFFFAOYSA-N
rxn:1:62112:30793,CN1CC2(CCCN(C(=O)c3ccccc3F)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,QXWSLHSLCKOIKG-UHFFFAOYSA-N
rxn:1:62112:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XVCQJCNRKJFIIH-UHFFFAOYSA-N
rxn:1:62113:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RQRKAVRVAJDWDJ-UHFFFAOYSA-N
rxn:1:62114:30164,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2cc(C3CC3)ccc2OCCC1,UHCFXPIMCQYFOB-XVKJLAOKSA-N
rxn:1:62116:30608,Cc1ncsc1C(=O)N1CCCOc2ccc(F)cc2C(=O)NCC2(CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,FHIWVWNOEYECKU-UHFFFAOYSA-N
rxn:1:62117:30723,O=C1CCC(N2C(=O)c3cc(F)c(N4CC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,QJRJWTZJYXPNBM-UHFFFAOYSA-N
rxn:1:44659:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC#Cc4ccc5c(c4)CNCC5)nn2)CC3)cn1,MUBKFIKDQFVTCV-UHFFFAOYSA-N
rxn:1:44991:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC#Cc4cc(F)c([N+](=O)[O-])cc4Cl)nn2)CC3)cn1,YVRBTOJDOSWSTA-UHFFFAOYSA-N
rxn:1:47849:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3O)nn1)CC2,DYQDGCWHSMPOBC-WEYPRACISA-N
rxn:1:51455:30349,COc1ccc(CN2CCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4C(c5ccc(N6CCN(C)CC6)cc5)C4(F)F)nn2)CC3)cn1,XXYHAYMJEMUDTD-UHFFFAOYSA-N
rxn:1:60009:30586,COc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cc1,XLAQIHMNYSYLAW-LIFCFFGOSA-N
rxn:1:60009:30635,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccc(F)cc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,WNOAFESELBXKNN-XYRRLCSSSA-N
rxn:1:60009:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,DVCYKUYWSOJRAD-JFDROPRKSA-N
rxn:1:60009:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,MERPRSYEXUEGLS-ALKIKZFASA-N
rxn:1:60009:30723,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)C5CCCC5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,QJNGDRZZPIXGSB-MZWXJIGCSA-N
rxn:1:60009:30727,Cc1cc2n(n1)CCCCN(C(=O)C1CCCC1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,XMBPYYKZDBVKEE-XYFKDZRBSA-N
rxn:1:60009:30738,CN1CC2(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCCn2nccc2C1=O,FDMXFLWHWVMTTC-CPPLMDTMSA-N
rxn:1:60009:30793,CN1CC2(CCCN(C(=O)c3ccccc3F)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,DPUWMDWGKIRFNX-JFDROPRKSA-N
rxn:1:60009:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,STFVPIVJFVLMFE-JFDROPRKSA-N
rxn:1:60009:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,DFGQTCXCHPOQLM-LIFCFFGOSA-N
rxn:1:60333:30868,CC(=O)C1CCC2C3CC=C4CC(n5cc(C(=O)N6CCC(C7CCN(C(=O)c8cnccc8C)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CCC4(C)C3CCC12C,WXVHGIADHMIUCV-UHFFFAOYSA-N
rxn:1:60390:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)N1,CCVUGGKVCPAPMZ-UHFFFAOYSA-N
rxn:1:60399:30850,CC(=O)c1cccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)oc12,YINUSSVORNMEQP-UHFFFAOYSA-N
rxn:1:60413:30628,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,SJSXBTVMWZVUFZ-UHFFFAOYSA-N
rxn:1:60415:30852,COC(=O)c1ccc2nc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cncnc7C)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)oc2c1,PCIVBUIIMPIOFP-UHFFFAOYSA-N
rxn:1:60451:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ccccc4C(F)(F)c4nc5cc(S(=O)(=O)O)ccc5o4)nn2)CC3)cn1,GKVVZZCCQYKMDQ-UHFFFAOYSA-N
rxn:1:60456:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)nn3)CC2)CC1,XUQFVDWKNFVNAQ-UHFFFAOYSA-N
rxn:1:61565:30080,Cc1nc(C(=O)N2CCCOc3ccccc3[C@@H]3C[C@@H](CN(C(=O)c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)C3)C(=O)NCC2)co1,NKCITSABHFKJRQ-MVANCODGSA-N
rxn:1:61636:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CCNC(=O)c1cccc(c1)OCCC2,ZXFZBEJZZAUVPX-KPSGRSMESA-N
rxn:1:62095:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4)nn1)CC2,GIIKYVATUKPZIZ-UHFFFAOYSA-N
rxn:1:62098:30635,O=C1CCC(N2C(=O)c3ccc(NCCn4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccc(F)cc7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)cc3C2=O)C(=O)N1,PPBBSXGYZJAEKK-UHFFFAOYSA-N
rxn:1:62102:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BEEJBCXPNISWTO-UHFFFAOYSA-N
rxn:1:62104:30719,CN1CC2(CCCN(C(=O)c3cn(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)CCCN(C(=O)C2CCCC2)CCCn2cc(cn2)C1=O,OBECKCGKNCYFHK-UHFFFAOYSA-N
rxn:1:62112:30181,Cc1nn2c(C)c1CN(Cc1ccnc3ccccc13)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,JCAMCRNFKZMNFM-UHFFFAOYSA-N
rxn:1:62123:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,ANADSHBBIWKRAP-UHFFFAOYSA-N
rxn:1:62126:24435,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,KAJXVPPQVRTKFS-UHFFFAOYSA-N
rxn:1:62136:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,YLPBUGCPOPOWTG-UHFFFAOYSA-N
rxn:1:63211:30850,COc1cc(Br)c(F)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,YHFATXHZIMITKO-UHFFFAOYSA-N
rxn:1:63403:30850,Cc1nc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)cc1Br,JOOXBONORDJDOV-UHFFFAOYSA-N
rxn:1:44403:30137,Cc1nn2c(C)c1CN(C(=O)c1ccnn1C)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,QVZDFPYFFRZIJM-PUOKRQDHSA-N
rxn:1:44403:30159,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cccnn6)CCCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MNGMEGYMVLJXHC-PREFENJFSA-N
rxn:1:54241:30228,Cc1nc(N)c(N)cc1C1C(CCn2cc(C(=O)N3CCC4(CCCN(C(=O)CC5CCCCC5)CCCCn5cc(cn5)C(=O)N(C)C4)CC3)nn2)C1(F)F,AXHGETGMEFNFKH-UHFFFAOYSA-N
rxn:1:60009:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,ZZDYLGUFAYRPLW-YGENRYQBSA-N
rxn:1:60009:30236,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)CC5CCCCC5)CCCCOc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,ZCHPJDBOUZVGMB-UTVRUGRBSA-N
rxn:1:60009:30247,CN1CC2(CCCN(C(=O)C3(C)CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,CMJTZYFYQXBURM-XYFKDZRBSA-N
rxn:1:60009:30347,Cc1ccc(F)c(CN2CCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)c1,HOKQNWLVUMKLDI-YQZOKAAQSA-N
rxn:1:60009:30708,CCCC(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,FVRDHCNUKPDQPU-UTVRUGRBSA-N
rxn:1:60009:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,WXHMRGAYDLTPRA-JFDROPRKSA-N
rxn:1:60009:30765,COCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,XBAOPCKXLKQZFX-UTVRUGRBSA-N
rxn:1:60009:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,QSRGDWGLWZRJJT-ALKIKZFASA-N
rxn:1:60009:30774,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,CCJDLKFIQCMVSS-UTVRUGRBSA-N
rxn:1:60009:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,BWDKHFLUAHMUER-YGENRYQBSA-N
rxn:1:60009:30877,Cc1cnccc1C(=O)N1CCCOc2ccc(F)cc2C(=O)NCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,UPYMKSFNZMMQEF-XYFKDZRBSA-N
rxn:1:60009:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CC2)co1,ZZSDJJYPKIVGJT-YGOQTLHOSA-N
rxn:1:60009:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,PLSHEMQSXZJJMI-JFDROPRKSA-N
rxn:1:60390:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)CC1,IGTXGAHLOXQHKV-UHFFFAOYSA-N
rxn:1:60413:29918,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(Cc7ccnc(C)n7)CC7(CC7)COc7ccccc7C(=O)NC6)CC5)nn4)c3)nc2c1,IKUFOLRPCYYULZ-UHFFFAOYSA-N
rxn:1:60413:30164,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cncnc5C)CCCOc5ccc(C7CC7)cc56)nn4)c3)nc2c1,NZAPJUOBRBKXDZ-KLFBTDGFSA-N
rxn:1:60424:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(F)ccc6o5)c4)nn3)CC2)CC1,DSYQVVGCOBFKST-UHFFFAOYSA-N
rxn:1:60456:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)nn3)CC2)CC1,FREJFVPWYBJGQX-UHFFFAOYSA-N
rxn:1:60509:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(C#N)ccc5[nH]4)nn3)CC2)CC1,WRSXHPNDWHOPGP-UHFFFAOYSA-N
rxn:1:60529:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(C(=O)O)cccc5[nH]4)nn3)CC2)CC1,PATKQDOKUGQCRL-UHFFFAOYSA-N
rxn:1:61493:30869,CCN1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,YFAISKBRTAXKQE-UHFFFAOYSA-N
rxn:1:61500:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCOCC4)s3)nn1)CC2,GLGWUUJVLAZWQO-UHFFFAOYSA-N
rxn:1:61636:30126,O=C1NCCCN(C(=O)c2cscn2)CCCOc2ccc(C3CC3)cc2[C@@H]2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)[C@H]1C2,WDBHDOSIRVWEKM-DQXQNBSYSA-N
rxn:1:61854:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5C6CCC5CC6)s4)nn3)CC2)CC1,XMHAXXMODHUQDT-UHFFFAOYSA-N
rxn:1:62077:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)nn1)CC2,MFSNUJSSUQZUAY-UHFFFAOYSA-N
rxn:1:62105:30415,CC(C)C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,LWZLTIABVCLPGK-UHFFFAOYSA-N
rxn:1:62113:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CC2)co1,DTORWZVPSVXQNU-UHFFFAOYSA-N
rxn:1:63287:30850,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Br,ZYSJBEAVPFYQDG-UHFFFAOYSA-N
rxn:1:63326:30850,COc1cc(Br)cc(Br)c1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,ZZWQHAQSCPZPEH-UHFFFAOYSA-N
rxn:1:43879:30630,CN1CC2(CCCN(C(=O)c3cnccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,NMERWVWRARQIPL-KAGVWXDISA-N
rxn:1:44403:30713,Cc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)c4ccccc43)C3=C2CCCC3=O)cc1,BZCKSCQRHHDFJM-BOOMWGLDSA-N
rxn:1:51733:30850,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,BSHDKNHMILLMSX-UHFFFAOYSA-N
rxn:1:54133:30603,Cc1cc2n(n1)CCCCN(C(=O)c1cscn1)CCCC1(CCCN(C(=O)c3cn(CCC4C(c5ccc(C#N)cc5Cl)C4(F)F)nn3)C1)CN(C)C2=O,CDPSLXUPMIFWKS-UHFFFAOYSA-N
rxn:1:59700:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)nn1)CC2,USAHYMZBDIQTJI-KFHIMVBXSA-N
rxn:1:60009:30202,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,BFHXDGJZTQZAIW-XYFKDZRBSA-N
rxn:1:60009:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)C1=O,FZTXLSGCJFSMQH-CIWMRFTDSA-N
rxn:1:60009:30565,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1cnccc1C)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,DTWJXPNJVUVARO-WVUVGWLZSA-N
rxn:1:60009:30680,CN1CC2(CCCN(C(=O)c3cccnc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,MNVIFESRQVDMDI-YGENRYQBSA-N
rxn:1:60009:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,JAFBIHCYQXDSOZ-YGENRYQBSA-N
rxn:1:60009:30828,CCn1cc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)C3)cn1,OVDCURKWPAHIMY-QGPKYJIGSA-N
rxn:1:60009:30909,Cc1cc2n(n1)CCCCN(C(=O)c1cncc(F)c1)CCCC1(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C1)CN(C)C2=O,SDYCCUQGVRDZDX-CPPLMDTMSA-N
rxn:1:60224:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,GXRSTFGOIURIMU-UHFFFAOYSA-N
rxn:1:60390:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,RWQQJWAOPUJQMR-UHFFFAOYSA-N
rxn:1:60412:30850,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,BYVUOFFDKSDCFT-UHFFFAOYSA-N
rxn:1:60412:30890,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6coc(C)n6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,QXRQPLQXHOZMTK-UHFFFAOYSA-N
rxn:1:60413:30890,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7coc(C)n7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,WPULQYZPEITSFY-UHFFFAOYSA-N
rxn:1:60445:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(S(C)(=O)=O)ccc5o4)nn3)CC2)CC1,RBNDSJTVYDEFMQ-UHFFFAOYSA-N
rxn:1:60474:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c6c(ccc5[nH]4)C(=O)c4ccccc4C6=O)nn3)CC2)CC1,AVSRRCZHMWZVMV-UHFFFAOYSA-N
rxn:1:60510:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(C#N)ccc6[nH]5)c4)nn3)CC2)CC1,JKRNIRVFNIMQLN-UHFFFAOYSA-N
rxn:1:60551:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)C(=N)Sc3nncn3C)nn1)CC2,KUQMEJWIGAZMKC-UHFFFAOYSA-N
rxn:1:60552:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)C(=N)Sc5nncn5C)c4)nn3)CC2)CC1,CUTAPXPVDNGTAX-UHFFFAOYSA-N
rxn:1:61632:30648,CN1CC2(CCCN(C(=O)c3ccnn3C)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@H](Oc4ccc([N+](=O)[O-])cc4Cl)O[C@H](CO)[C@H](O)[C@@H]3O)nn1)CC2,IJKXLJCOYHTEEX-XMDPSZRHSA-N
rxn:1:62105:30247,CN1CC2(CCCN(C(=O)C3(C)CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IYGAOZRZSSVKGT-UHFFFAOYSA-N
rxn:1:62113:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,NBFVMVACIARECU-UHFFFAOYSA-N
rxn:1:62114:9861,Cc1n[nH]c2c1C(c1cc(Br)ccc1OCc1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)C(C#N)=C(N)O2,BOMAPZRRNJTPAB-UHFFFAOYSA-N
rxn:1:62115:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,BUDZZVZYCWUXCR-UHFFFAOYSA-N
rxn:1:62115:30249,Cc1cc(F)cc(C)c1C(=O)N1CCCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HHNNOQXQKDZIOO-UHFFFAOYSA-N
rxn:1:63209:30850,COc1c(F)cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1F,VNCYEGGEFVBYSS-UHFFFAOYSA-N
rxn:1:63320:30850,COc1nc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,BEBUYAPQEGFFOH-UHFFFAOYSA-N
rxn:1:63329:30850,COc1cc(Br)cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1,UJLBXFWDKLQRFD-UHFFFAOYSA-N
rxn:1:43879:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,QLMINCKXGDEOLO-NDLVYNRVSA-N
rxn:1:43879:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,UHEJTFFCCICRSQ-BVLGMLIUSA-N
rxn:1:44403:30679,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cccnc8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,LQMOGKWYWKGVPG-AJIPIVBFSA-N
rxn:1:54061:30909,Cc1cc2n(n1)CCCCN(C(=O)c1cncc(F)c1)CCCC1(CCCN(C(=O)c3cn(CCC4C(c5cc(F)c(F)cc5O)C4(F)F)nn3)C1)CN(C)C2=O,DLGDMBXRDPTDFC-UHFFFAOYSA-N
rxn:1:59428:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCCCCCCCCC3=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nn1)CC2,YCZCTXYFTSWVCV-UHFFFAOYSA-N
rxn:1:60009:30130,Cc1ncsc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)c2cc(C3CC3)ccc2OCC1,JECRWXIRJBCQSG-COYRQTLCSA-N
rxn:1:60009:30178,Cc1nn2c(C)c1CN(Cc1nc3ccccc3n1C)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,KMCMMEFFPNREQL-YGENRYQBSA-N
rxn:1:60009:30232,CN1CC2(CCN(C(=O)CC3CCCCC3)CCCn3nc(ccc3=O)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,DDWTXOYVRAEOIA-XYFKDZRBSA-N
rxn:1:60009:30240,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,ARJPOERBCYMRPX-WVUVGWLZSA-N
rxn:1:60009:30255,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,GWKKYHOULWRBPO-YQZOKAAQSA-N
rxn:1:60009:30428,Cc1ccc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)cn1,TYSRGYIZQKACDU-XYFKDZRBSA-N
rxn:1:60009:30515,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ccncc1C)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,ZXNUATGVBNZUJD-WVUVGWLZSA-N
rxn:1:60009:30583,Cc1cc2n(n1)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)CCO1,BTBQFTGUSBRDFL-ZJPBUPDRSA-N
rxn:1:60009:30671,CN1CC2(CCCN(C(=O)c3ccncc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,UXSXWHPXGVEQBE-YGENRYQBSA-N
rxn:1:60009:30692,CN1CC2(CCCN(C(=O)c3ccccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,YWWJKZUGDHWXHT-YGENRYQBSA-N
rxn:1:60009:30726,Cc1cc2n(n1)CCCCN(C(=O)C1CCCC1)CCCC1(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C1)CN(C)C2=O,MNPYTSKCLVYQJK-CPPLMDTMSA-N
rxn:1:60009:30734,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)C5CCCCC5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,QUNOFYTUYKBBLV-XYRRLCSSSA-N
rxn:1:60009:30801,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)C5CCC5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,JXFFTCBNDBUVJL-IQRYRTTRSA-N
rxn:1:60009:30813,Cc1cccc(C(=O)N2CCCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)C3)c1,VRVYAPFRPBIHSQ-WAHSOMMASA-N
rxn:1:60009:30835,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccon5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,CNAUMIGPLBMBPK-ZOXLWRGWSA-N
rxn:1:60009:30848,Cc1ncncc1C(=O)N1CCOCCOc2ccccc2C(=O)N(C)C(C2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,WYYYSTZDACKNAW-OEZPFRFASA-N
rxn:1:60417:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cccc(Br)c6o5)c4)nn3)CC2)CC1,RLBXBYCPGAKBFN-UHFFFAOYSA-N
rxn:1:60482:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(C(=O)O)ccc4[nH]3)nn1)CC2,SOFLUJFUXLHGPS-UHFFFAOYSA-N
rxn:1:61565:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)CC3)CC2)c1,MDLVYKFCVBIMHV-KVWPKNMOSA-N
rxn:1:61636:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CCNC(=O)c1cccc(c1)OCCC2,HFFHKTZSEISNJQ-WCMBYXODSA-N
rxn:1:61714:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)CC2,WGCVGKNAMPKRBZ-YJDUXVICSA-N
rxn:1:61762:30620,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(C(=O)O)O2)c(=O)[nH]c1=O,QEEFCKGPXJSCMU-UHFFFAOYSA-N
rxn:1:62102:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,YFXKQJHSQGMUGF-UHFFFAOYSA-N
rxn:1:62105:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BGUVQPGVUWACLK-UHFFFAOYSA-N
rxn:1:62116:30628,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8cnccn8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,FFVHEYAQPQEVBV-UHFFFAOYSA-N
rxn:1:63305:30620,COc1ccncc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,YRWRPYQQAPIVEM-UHFFFAOYSA-N
rxn:1:44403:30206,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCN(C(=O)CC8CCOCC8)CCCn8nc(ccc8=O)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WGBCIXAGEDHNHJ-DKKCSQABSA-N
rxn:1:44403:30792,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccccc8F)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,UHTNJXGXBLISSO-PVNIQTPFSA-N
rxn:1:54131:29909,CN1CC2(CCCN(Cc3nccs3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(C#N)ccc4Cl)C3(F)F)nn1)CC2,MAJJLTKGFJWFCD-UHFFFAOYSA-N
rxn:1:59626:30620,Cc1nnsc1C(=O)N1CCC(n2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1,ZLAQPGWVVJNACL-UHFFFAOYSA-N
rxn:1:60009:30164,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)c2cc(C3CC3)ccc2OCCC1,BNBZKGOQVJXPPJ-LZWLHYGRSA-N
rxn:1:60009:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,HIEGXKAFTWVIEY-ALKIKZFASA-N
rxn:1:60009:30242,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,QHXNEIZOURKUCK-AAVUUNPCSA-N
rxn:1:60009:30429,Cc1ccc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)cn1,VMYSDZRNWPVNJS-WVUVGWLZSA-N
rxn:1:60009:30432,CN1CCCN(C(=O)C2CCC2)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)C1=O,QCNYFVCBQUUVIC-RSBRHNPVSA-N
rxn:1:60009:30581,CN1CC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CCCCn3nccc3C1=O)CN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCO2,GRONPORGWKFPOY-ZJPBUPDRSA-N
rxn:1:60009:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,KKMQSDKEBNKTFH-LIFCFFGOSA-N
rxn:1:60009:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,JOYISIQSCFNCMQ-YGOQTLHOSA-N
rxn:1:60009:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CC2)c1,JJSBBQGYPXYXOJ-FLHSGLMGSA-N
rxn:1:60009:30824,CCn1cc(C(=O)N2CCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)cn1,DRVBTVCOJNAWDP-AAVUUNPCSA-N
rxn:1:60009:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FWNRBHXILJAYFZ-UTVRUGRBSA-N
rxn:1:60009:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FPNVSEVXPORIEC-ALKIKZFASA-N
rxn:1:60288:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(S(=O)(=O)c5cn(CC)c(C)n5)C4)nn2)CC3)cn1,HBAHLGSKPMXJKJ-UHFFFAOYSA-N
rxn:1:60390:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,YPJRDYNZDMKNOH-UHFFFAOYSA-N
rxn:1:60399:30613,CC(=O)c1cccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)oc12,HXUXIHOXJFGKQB-UHFFFAOYSA-N
rxn:1:60404:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6ccc([N+](=O)[O-])cc6o5)c4)nn3)CC2)CC1,IQSVSGIDJWWXNY-UHFFFAOYSA-N
rxn:1:60406:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc([N+](=O)[O-])ccc6o5)c4)nn3)CC2)CC1,PRGHUGFIRFWCFG-UHFFFAOYSA-N
rxn:1:60414:30868,COC(=O)c1ccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)oc2c1,KZYZFPWLEFBDDP-UHFFFAOYSA-N
rxn:1:60415:30868,COC(=O)c1ccc2nc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)oc2c1,BGLWGCQQHIZYKF-UHFFFAOYSA-N
rxn:1:60421:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(Br)ccc5o4)nn3)CC2)CC1,LOHYGCBWBMIBDC-UHFFFAOYSA-N
rxn:1:60452:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(=O)(=O)O)ccc5o4)c3)nn1)CC2,AMPRQAUYELDYCN-UHFFFAOYSA-N
rxn:1:60552:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,UXIOJXISQGHGNB-UHFFFAOYSA-N
rxn:1:61464:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCCCC4)s3)nn1)CC2,LXZVKJVMMKAYFG-UHFFFAOYSA-N
rxn:1:62103:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IUILGVYZXHCKMV-UHFFFAOYSA-N
rxn:1:62115:30583,Cc1cc2n(n1)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)CCO1,LHSLJCCRNUELST-UHFFFAOYSA-N
rxn:1:62115:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,MJYNWJIZOVNDHA-UHFFFAOYSA-N
rxn:1:62123:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FRKLRGOTBXFCSH-UHFFFAOYSA-N
rxn:1:62241:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)nn3)CC2)CC1,MMGCGPOPEHHXOJ-OMCMMKIDSA-N
rxn:1:62271:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,KWPSNNAEGZRZNP-UHFFFAOYSA-N
rxn:1:63226:30850,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)cc1Br,VCQZZXTWQAIJEF-UHFFFAOYSA-N
rxn:1:63228:30850,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Cl)cc1Br,ZMKAPEXIAPTHOV-UHFFFAOYSA-N
rxn:1:44403:24404,Cc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)c4ccccc43)C3=C2CCCC3=O)cc1Cl,OTHUNFRGCHFZGA-HRIDDSOYSA-N
rxn:1:44403:30161,Cc1nn2c(C)c1CN(C(=O)c1cccnn1)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,OHEFZOHIFDEHIF-PUOKRQDHSA-N
rxn:1:53701:30933,Cc1cc2n(n1)CCCCN(C(=O)c1ccc(F)cn1)CCCC1(CCCN(C(=O)c3cn(CCC4C(c5cnc(Cl)c(N)c5)C4(F)F)nn3)C1)CN(C)C2=O,FRYMTCBJYJCLBH-UHFFFAOYSA-N
rxn:1:59428:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCCCCCCCCCC4=NNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nn3)CC2)CC1,HBQTVHBVMMELDU-UHFFFAOYSA-N
rxn:1:59506:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3ccc4ncnc(N)c4c3)nn1)CC2,QKMPBDOBDRCBHS-UHFFFAOYSA-N
rxn:1:60009:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,ASXRCDVVKAAKFM-LQKCFQJJSA-N
rxn:1:60009:30206,CN1CC2(CCN(C(=O)CC3CCOCC3)CCCn3nc(ccc3=O)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,PZYSYOFTPBBVLL-AAVUUNPCSA-N
rxn:1:60009:30228,CN1CC2(CCCN(C(=O)CC3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,XKMMLTVABSTQLY-YQZOKAAQSA-N
rxn:1:60009:30252,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CC3(CC3)COc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,KWQOWYHJQUEABA-XYFKDZRBSA-N
rxn:1:60009:30459,Cc1cnccc1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,IZHWEVCJCRMPNZ-WVUVGWLZSA-N
rxn:1:60009:30518,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1cncc(F)c1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,XDQCJDJBBPSZMC-XYFKDZRBSA-N
rxn:1:60009:30537,Cc1cc2n(n1)CC1(CC1)CN(C(=O)CC1CC1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,FIPHWVKVSMTUJE-AAVUUNPCSA-N
rxn:1:60009:30543,Cc1cc2n(n1)CC1(CC1)CN(C(=O)C1CCOCC1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,BDEHOMNVRPYRDI-XYFKDZRBSA-N
rxn:1:60009:30580,Cc1cc2n(n1)CCN(C(=O)c1ccc(C(C)(C)C)cc1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,PPOMIMRBEAILFJ-YQZOKAAQSA-N
rxn:1:60009:30690,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,OQXVYLQQZZWFMG-ZUJOEQEKSA-N
rxn:1:60009:30729,CN1CC2(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)CCCN(C(=O)C2CCCC2)CCCCn2nccc2C1=O,GSCMLVMCBMUINC-QGPKYJIGSA-N
rxn:1:60009:30823,CCn1cc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CCO3)cn1,OCCYACFFJAACCY-ZPEGECIHSA-N
rxn:1:60009:30872,Cc1cc2n(n1)CCCCN(C(=O)c1cnccc1C)CCCC1(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C1)CN(C)C2=O,NGELZXNCOYQTDU-ZGHOWQPZSA-N
rxn:1:60009:30882,Cc1cc2n(n1)CCCCN(C(=O)c1ccncc1C)CCCC1(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C1)CN(C)C2=O,LOSXMNIABJRPLX-ZGHOWQPZSA-N
rxn:1:60009:30907,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,ASSPJRODRVJSKF-MZWXJIGCSA-N
rxn:1:60009:30933,Cc1cc2n(n1)CCCCN(C(=O)c1ccc(F)cn1)CCCC1(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C1)CN(C)C2=O,JKRFODNCNYCFOR-CPPLMDTMSA-N
rxn:1:60390:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,BHLOOVFUCAEHNX-UHFFFAOYSA-N
rxn:1:60391:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CC2,NYNQLJPMANLGRX-UHFFFAOYSA-N
rxn:1:61565:30173,Cc1ocnc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C2)c2cc(C3CC3)ccc2OCC1,VZRKCNHTTMWXJD-RADVURISSA-N
rxn:1:61565:30202,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCOCC8)CCCCn8nccc8C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,FPPOZKOGXAFPQW-YOQBRCMYSA-N
rxn:1:62105:30178,Cc1nn2c(C)c1CN(Cc1nc3ccccc3n1C)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,ODXMZBSRYRXXMQ-UHFFFAOYSA-N
rxn:1:62112:30615,Cc1cc2n(n1)CCCCN(C(=O)c1scnc1C)CCCC1(CCCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,HZWCPJNJEQCRRG-UHFFFAOYSA-N
rxn:1:62112:30801,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,MMZUIOIQXHBNIL-UHFFFAOYSA-N
rxn:1:62114:30593,COc1ccccc1C(=O)N1CCCCn2nc(C)cc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,VTENBQUSVWIFGS-UHFFFAOYSA-N
rxn:1:62115:30164,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2cc(C3CC3)ccc2OCCC1,IWMSTGCTXQLVCP-ZBOOXDJTSA-N
rxn:1:64859:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6nccnc6c5Br)C4)nn3)CC2)CC1,IHGACDLROKYBFG-UHFFFAOYSA-N
rxn:1:65067:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc6cccnc6c6ncccc56)C4)nn3)CC2)CC1,OGJZBXVZFSRQAY-UHFFFAOYSA-N
rxn:1:41016:30869,COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,BRULJUHMZWVLJX-UHFFFAOYSA-N
rxn:1:44403:30166,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C2)c2ccccc2OCCC1,VTWMVDUIDRIVCR-QUSCYWMASA-N
rxn:1:51733:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CC(n5cc(C)c(N6CCOCC6)nc5=O)OC4CO)nn3)CC2)CC1,KVCBHURDMVRHDG-UHFFFAOYSA-N
rxn:1:54185:30350,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(N)c(Cl)c4Cl)C3(F)F)nn1)CC2,GRFCKFCCGRJEMV-UHFFFAOYSA-N
rxn:1:59593:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(=C(F)B6OC(C)(C)C(C)(C)O6)C5)o4)nn3)CC2)CC1,WWDWAIJEWVAGOM-UHFFFAOYSA-N
rxn:1:60009:30194,Cc1ccc(F)c(CN2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)c1,LFWNVWTYQNCFQX-JFDROPRKSA-N
rxn:1:60009:30214,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)CC5CCOCC5)CCCCOc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,OOZQWAXHCUEHGF-YQZOKAAQSA-N
rxn:1:60009:30668,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccncc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,ZCDQUEGTVUUMRC-MZWXJIGCSA-N
rxn:1:60009:30780,Cc1ccc(C(=O)N2CCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)cn1,SNXQINKXGHKMMJ-XYFKDZRBSA-N
rxn:1:60009:30791,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccccc5F)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,MOSOEYCKQXYTPP-XYRRLCSSSA-N
rxn:1:60009:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,IOLPFWVDTREFRL-YGOQTLHOSA-N
rxn:1:60009:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,UTDXXHLQJYXSRF-UTVRUGRBSA-N
rxn:1:60204:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(CO)OC(n4ccc(N)nc4=O)C(F)(F)C3O)nn1)CC2,KCZBSOGLAOVSDP-UHFFFAOYSA-N
rxn:1:60390:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)CC1,DMJHYFWRAJVMRF-UHFFFAOYSA-N
rxn:1:60396:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(C(=O)O)ccc4o3)nn1)CC2,SXNPNZCASKOOIX-UHFFFAOYSA-N
rxn:1:60397:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(C(=O)O)ccc5o4)c3)nn1)CC2,MXXVAECJRBPXGX-UHFFFAOYSA-N
rxn:1:60485:30850,Cc1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1C,AMIPBKSDMPQPOL-UHFFFAOYSA-N
rxn:1:60537:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7cc([N+](=O)[O-])ccc7n6C)c5)nn4)CC3)CC2)co1,FAXDAIAQBWCICS-UHFFFAOYSA-N
rxn:1:60558:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)C(=N)Sc3nccn3C)nn1)CC2,LJKYGAZDGNKMBY-UHFFFAOYSA-N
rxn:1:60573:30635,N=C(Sc1nnc[nH]1)C(F)(F)c1cccc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccc(F)cc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c1,QMVKLCURNOXRNT-UHFFFAOYSA-N
rxn:1:60577:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)C(=N)SC5CCCC5)c4)nn3)CC2)CC1,OINZNALSLCUIDO-UHFFFAOYSA-N
rxn:1:61251:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4C[C@H](n5cc(C)c(N6CCOCC6)nc5=O)O[C@@H]4CO)nn3)CC2)CC1,KVCBHURDMVRHDG-UDMRQUEHSA-N
rxn:1:61565:24562,Cc1cccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)c4ccccc43)C3=C2CCCC3=O)c1,FESVINVEMVSBIY-SIHHEPIMSA-N
rxn:1:61565:30166,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C2)c2ccccc2OCCC1,VTWMVDUIDRIVCR-ADUUMHKSSA-N
rxn:1:61924:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ILJPXAIEIWNURP-UHFFFAOYSA-N
rxn:1:62080:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(=O)NC3C(O)OC(CO)C(O)C3O)nn1)CC2,XWZPZMXCMLYGMJ-UHFFFAOYSA-N
rxn:1:62102:30801,O=C1CCC(N2C(=O)c3ccc(N4CCCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,IQVJPTYKGWCOPJ-UHFFFAOYSA-N
rxn:1:62105:30195,COc1ccc(CN2CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,KQYKCEHVYSKNNW-UHFFFAOYSA-N
rxn:1:62115:30165,Cc1ncncc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,JLJJXFZZAPQSPW-PZAYWPJNSA-N
rxn:1:62115:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CZFZJIFCLVZYHR-UHFFFAOYSA-N
rxn:1:62130:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CN(c6ccc(N7CCOCC7)c(F)c6)C(=O)O5)nn4)CC3)CC2)co1,PJCHEUSJYKRBMY-UHFFFAOYSA-N
rxn:1:63239:30850,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ccc1Cl,VBZRUUKKHMZUPM-UHFFFAOYSA-N
rxn:1:63245:30850,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)c1,ZYALXQFMKUFZRB-UHFFFAOYSA-N
rxn:1:64318:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(Br)cc5C(=O)O)C4)nn3)CC2)CC1,HSKOLIDULDQNRJ-UHFFFAOYSA-N
rxn:1:64722:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)c(C(=O)O)n5)C4)nn3)CC2)CC1,NYYZNVRQOMNQLY-UHFFFAOYSA-N
rxn:1:44403:24532,Cc1ccc(Cl)cc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc32)C2=C1CCCC2=O,XPGPTEFAAGMMIO-NYXMBFRASA-N
rxn:1:44403:29840,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@H]7C[C@@H]6C(=O)NCCCN(Cc6ccc8nccnc8c6)CCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,GEHBJBXLENJDAS-DRPCCTGDSA-N
rxn:1:52962:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4cc(F)c(C(=O)O)cc4F)nn3)CC2)CC1,YBRDEQSMWYDOJV-UHFFFAOYSA-N
rxn:1:54318:30348,Cc1noc(C)c1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4c[nH]c5ncc(Br)cc45)C3(F)F)nn1)CC2,HUIPHWGCCSJPKM-UHFFFAOYSA-N
rxn:1:59779:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn2)CC3)cn1,PSHUQENONYKVPJ-UHFFFAOYSA-N
rxn:1:60009:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,QAPSADHHPFYNNB-OKJGEHNDSA-N
rxn:1:60009:30204,Cc1cc(C)cc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)c1,GOCBHCBZUNMICX-UTVRUGRBSA-N
rxn:1:60009:30528,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1cccnc1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,DNWXGWQTFKUQBW-XYFKDZRBSA-N
rxn:1:60009:30560,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CN(C)C(=O)c3cc(C)nn3CC3(CC3)C2)cn1,CAZDNZDGPCVBIM-XYFKDZRBSA-N
rxn:1:60009:30582,CN1CC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CCCn3nccc3C1=O)CN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCO2,ZSJQCYPVZVNEDL-HXGYQWTRSA-N
rxn:1:60009:30648,CN1CC2(CCCN(C(=O)c3ccnn3C)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,WSQRGAWYWFEKRR-UTVRUGRBSA-N
rxn:1:60009:30798,CN1C(=O)c2ccccc2OCCOCCN(C(=O)C2CCC2)CCC1C1CCN(C(=O)c2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)CC1,PXXRMOPSFGGRFT-LAABCOFWSA-N
rxn:1:60009:30822,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CN(C)C(=O)c3ccnn3CC3(CC3)C2)cn1,OUALSGVNJNKTKD-AAVUUNPCSA-N
rxn:1:60009:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,WKMMOMBKNBBGNW-XYRRLCSSSA-N
rxn:1:60412:30690,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,KCVIMGZTLVPECX-UHFFFAOYSA-N
rxn:1:60413:30648,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7ccnn7C)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,MRJIQYQEVODQJP-UHFFFAOYSA-N
rxn:1:60413:30851,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cncnc7C)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,XWCYWVFZNKDMMK-UHFFFAOYSA-N
rxn:1:60419:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6ccc(F)cc6o5)c4)nn3)CC2)CC1,OTABJBLYONQYDV-UHFFFAOYSA-N
rxn:1:60445:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(S(C)(=O)=O)ccc5o4)nn3)CC2)CC1,QHRYIEJLKDRCHW-UHFFFAOYSA-N
rxn:1:60457:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(S(N)(=O)=O)ccc6o5)c4)nn3)CC2)CC1,MXJQNSMEQXAPDA-UHFFFAOYSA-N
rxn:1:61482:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCS(=O)(=O)CC5)s4)nn3)CC2)CC1,SIWYVGJFKRQHOU-UHFFFAOYSA-N
rxn:1:61500:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCOCC5)s4)nn3)CC2)CC1,VFXAJZYOVJXGSG-UHFFFAOYSA-N
rxn:1:61565:30802,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,NNKLGXARDDBPQX-NHUFSQECSA-N
rxn:1:61616:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,LAKCXAVLAOXOBX-STGZTNIGSA-N
rxn:1:61860:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)c5ncc(C(F)(F)F)cc5Cl)cc4)nn3)CC2)CC1,JXHPDXHJPUYHOM-UHFFFAOYSA-N
rxn:1:62103:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XFHDOBQOTSJVNB-UHFFFAOYSA-N
rxn:1:62104:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,QDDCUQFJSILKJT-UHFFFAOYSA-N
rxn:1:62106:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BJBSDGPVQHMBTJ-UHFFFAOYSA-N
rxn:1:62111:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,RUYZBDJYYIOGPK-UHFFFAOYSA-N
rxn:1:62112:24489,CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)C21C(=O)N(Cc2cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,VMJAKYNXZFVJRR-UHFFFAOYSA-N
rxn:1:62113:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,IMGVWBKDASJZQI-UHFFFAOYSA-N
rxn:1:62114:29928,Cc1cc2c(cc1CN1CCCC3(CCN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C1)OCO2,CYHYSJGCXDYMBQ-UHFFFAOYSA-N
rxn:1:62114:30242,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,ZXUKRIARYHXOGA-UHFFFAOYSA-N
rxn:1:62115:30452,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2ccccc2OCC2(CC2)C1,JKGZNKYPKZUFCX-UHFFFAOYSA-N
rxn:1:64281:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5[nH]ncc5-c5cccc(Cl)c5)C4)nn3)CC2)CC1,CFEOWWCDKVFZIB-UHFFFAOYSA-N
rxn:1:64314:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(F)c(Br)cc5C(=O)O)C4)nn3)CC2)CC1,ZLROZALQCQLYAK-UHFFFAOYSA-N
rxn:1:64435:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)cc(Br)cc5OC(F)(F)F)C4)nn3)CC2)CC1,GHAHOFWWLVHDPR-UHFFFAOYSA-N
rxn:1:53828:30348,Cc1noc(C)c1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4cc(F)cnc4Cl)C3(F)F)nn1)CC2,BWDGZIQCGOXJHA-UHFFFAOYSA-N
rxn:1:59350:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3n[nH]c4nc[nH]c(=O)c34)nn1)CC2,BXZFMGZMGBHQPB-UHFFFAOYSA-N
rxn:1:60009:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,OCIFXVUXDJTOHW-LQKCFQJJSA-N
rxn:1:60009:30283,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CCCOc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,RUXLJLUQMXWRTD-AAVUUNPCSA-N
rxn:1:60009:30292,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4CC3c3ccccc3OCCN(Cc3ccc5cccnc5c3)CCCNC4=O)nn2)NC(=O)Cc2ccccc2CN1,TWCCOJNMQZZKBW-VYPUBKLHSA-N
rxn:1:60009:30411,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2ccccc2OCC2(CC2)C1,NUJSPDLLVSURPN-XYFKDZRBSA-N
rxn:1:60009:30492,Cc1cc2n(n1)CCCN(Cc1cc(C#N)ccc1F)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,TZROMZFNGFWCHF-YQZOKAAQSA-N
rxn:1:60009:30499,Cc1cc2n(n1)CCCN(C1CCN(c3ncccn3)CC1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,YGMPZDDLDMJICA-YQZOKAAQSA-N
rxn:1:60009:30552,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ccc(F)c(F)c1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,GTTBKTOQZRIUTL-WVUVGWLZSA-N
rxn:1:60009:30553,Cc1cc2n(n1)CCCCN(C(=O)c1ccc(F)c(F)c1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)CCO1,GMGXHOBASXMWIK-CPPLMDTMSA-N
rxn:1:60009:30766,COCC(=O)N1CCCCn2nc(C)cc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,WMBKBPNFJJHKRL-WTQYMLSTSA-N
rxn:1:60009:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,OOZARCNEGIMMBD-MZWXJIGCSA-N
rxn:1:60009:30915,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3nccc3C1=O)CCCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)C2,GDXUXQKJPMEUEJ-CPPLMDTMSA-N
rxn:1:60203:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn1)CC2,ULPZLPVTYIRVNI-UHFFFAOYSA-N
rxn:1:60390:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5ccccc5C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)nn4)CC3)CC2)co1,VKRQELIHPLMFEW-UHFFFAOYSA-N
rxn:1:60392:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(C(=O)O)cccc5o4)nn3)CC2)CC1,GVBKKGYGRXPSQC-UHFFFAOYSA-N
rxn:1:60412:30188,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCNC(=O)c5cccc(c5)OCCCn5nc(C)c(c5C)CN(Cc5cccc(C)n5)CC4)nn3)nc2c1,KBAYKQNXGVMVPD-UHFFFAOYSA-N
rxn:1:60416:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cccc(Br)c5o4)nn3)CC2)N1,WUERGAVYQIIGMB-UHFFFAOYSA-N
rxn:1:60434:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(C)cccc4o3)nn1)CC2,ILFKEZVQRNKPME-UHFFFAOYSA-N
rxn:1:60451:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(S(=O)(=O)O)ccc4o3)nn1)CC2,NGIHMHVVANWHTR-UHFFFAOYSA-N
rxn:1:60560:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)C(=N)Sc3ncccn3)nn1)CC2,QULJZLQWMVFLIT-UHFFFAOYSA-N
rxn:1:61565:24532,Cc1ccc(Cl)cc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc32)C2=C1CCCC2=O,XPGPTEFAAGMMIO-NNCBUXFYSA-N
rxn:1:61636:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,WYCSKGVSEGESBU-WDZRAGPMSA-N
rxn:1:62102:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,QNDHHBIPYLXZPH-UHFFFAOYSA-N
rxn:1:62104:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2ccccc21,CDRZKAQKXWKCPK-UHFFFAOYSA-N
rxn:1:62112:30198,CC1(C(=O)N2CCCCOc3ccccc3C(=O)NCC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)CCCCC1,UPPWQQREMTUJHB-UHFFFAOYSA-N
rxn:1:62112:30581,CN1CC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CCCCn3nccc3C1=O)CN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCO2,UXXJZXNPNLJCKS-UHFFFAOYSA-N
rxn:1:62115:30296,COc1ncc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)C(C3)c3ccccc3OCC2)cn1,VZTVHBHUXCFDBT-UHFFFAOYSA-N
rxn:1:62115:30708,CCCC(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,XBYNSANBFBNXST-UHFFFAOYSA-N
rxn:1:62861:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(C)(C)C)cc4Br)C3)nn1)CC2,TTXUNMGLFRTABW-UHFFFAOYSA-N
rxn:1:64476:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N)c(C#N)c(Br)n5)C4)nn3)CC2)CC1,COOWNFSFEVWPDW-UHFFFAOYSA-N
rxn:1:64508:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Cl)ccc5-c5nnn[nH]5)C4)nn3)CC2)CC1,SHDWRKLFZQQWCR-UHFFFAOYSA-N
rxn:1:64535:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(OC(F)(F)F)ccc5Br)C4)nn3)CC2)CC1,NVPDSHROSYFXDC-UHFFFAOYSA-N
rxn:1:43879:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,LAFFDGRJWSSDEL-KAGVWXDISA-N
rxn:1:44403:25130,Cc1ccc2c(c1)C1(CC(O)=Nc3c1c(C)nn3-c1ncnc3[nH]cnc13)C(=O)N2Cc1cn([C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@@H]2[C@@H]3C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)nn1,DZBJIHRCENCAQR-QUXPOPPQSA-N
rxn:1:44403:30041,Cc1nc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)[C@H](C3)C(=O)NCC2)co1,AKFZDZYPCSDRNE-PKSHNYPDSA-N
rxn:1:53922:30350,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4c(Br)cc(F)cc4Br)C3(F)F)nn1)CC2,XRPADPSMCJJJBJ-UHFFFAOYSA-N
rxn:1:59683:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3[C@H](O)[C@@H](n4cnc5c(N)ncnc54)O[C@H]3CO)nn1)CC2,JOSNULBIXBKWKU-RXTSVHAZSA-N
rxn:1:60009:29892,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(C3CCN(c5ncccn5)CC3)CCOc3ccccc34)nn2)NC(=O)Cc2ccccc2CN1,SFIVBPOQNBVVBG-MYNDJXCYSA-N
rxn:1:60009:29905,CN1CC2(CCCN(Cc3ccnc4ccccc34)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,LXQZPFMQWYPVET-ALKIKZFASA-N
rxn:1:60009:30210,CN1CC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CCN(C(=O)C2(C)CCCCC2)CCCn2nc(ccc2=O)C1=O,JMWNRCHMKMVUCZ-AAVUUNPCSA-N
rxn:1:60009:30534,Cc1cc2n(n1)CCCCN(C(=O)C(C)C)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)CCO1,LPKZPPKTLWEFSM-MQBZATMHSA-N
rxn:1:60009:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FZZHTBNCIMDDLD-JFDROPRKSA-N
rxn:1:60390:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,DLGSRAGOLSKAFH-UHFFFAOYSA-N
rxn:1:60390:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5ccccc5C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,CZARLTNJQJFBEP-UHFFFAOYSA-N
rxn:1:60390:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,PULUHQKTKQXXFZ-UHFFFAOYSA-N
rxn:1:60390:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,PDFZTCUUEFYWRM-UHFFFAOYSA-N
rxn:1:60394:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4ccc(C(=O)O)cc4o3)nn1)CC2,XCTAHEUIZQQXPT-UHFFFAOYSA-N
rxn:1:60448:30613,COC(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7scnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,MXWXZSFUVLRFDS-UHFFFAOYSA-N
rxn:1:60457:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)c3)nn1)CC2,UPEJGUZUMKATHT-UHFFFAOYSA-N
rxn:1:60474:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5ccccc5C(F)(F)c5nc6c7c(ccc6[nH]5)C(=O)c5ccccc5C7=O)nn4)CC3)CC2)co1,FDNRNUTVFHGRIZ-UHFFFAOYSA-N
rxn:1:60475:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c7c(ccc6[nH]5)C(=O)c5ccccc5C7=O)c4)nn3)CC2)CC1,VUDBCIVHQWVCFP-UHFFFAOYSA-N
rxn:1:61251:30802,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,CJENIVNHUQXEMR-CGUXBRGKSA-N
rxn:1:61251:30850,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,BSHDKNHMILLMSX-XGLWVNAJSA-N
rxn:1:61470:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)CC2)CC1,AABPATFNULREMJ-UHFFFAOYSA-N
rxn:1:61475:30802,CN1CCC(NC(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,SHXKMZAWZBIMIR-UHFFFAOYSA-N
rxn:1:61478:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)s3)nn1)CC2,JNSBFLWQRKRGQL-UHFFFAOYSA-N
rxn:1:61565:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2cc3c(cc21)OCCO3,CIGFJYIMUBMZTE-DNEHDTHXSA-N
rxn:1:61565:30159,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cccnn6)CCCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MNGMEGYMVLJXHC-XZWOGPRDSA-N
rxn:1:61616:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,OADOGIZYQWPTSJ-VQALGTGMSA-N
rxn:1:61713:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@@H]5COP(=O)(O)O[C@H]5[C@H]4O)nn3)CC2)CC1,JNMJOGOQBXCFOJ-PHUITYRESA-N
rxn:1:61924:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn3)CC2)CC1,MWHCTJPGLMXLBL-UHFFFAOYSA-N
rxn:1:62077:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)nn1)CC2,WIAAZJHRKPTACE-UHFFFAOYSA-N
rxn:1:62103:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,UNUUMONFRXWGBE-UHFFFAOYSA-N
rxn:1:62114:29949,Cn1cc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)C3)c3ccccc3OCC2)cn1,CNIZNUROJNHYEK-BIHKVZLISA-N
rxn:1:62114:30581,CN1CC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CCCCn3nccc3C1=O)CN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CCO2,YZJKDSZYFWLHKM-UHFFFAOYSA-N
rxn:1:62126:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,UURNGOZUOUUQFG-UHFFFAOYSA-N
rxn:1:62136:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,SLYBBOPQRRCLBA-UHFFFAOYSA-N
rxn:1:64465:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)ccc6ncccc56)C4)nn3)CC2)CC1,HBOOKTFHCMWRBH-UHFFFAOYSA-N
rxn:1:64859:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6nccnc6c5Br)C4)nn3)CC2)CC1,AQNDDNGPFODUST-UHFFFAOYSA-N
rxn:1:64925:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C#N)cnn5-c5ccc(Br)cc5)C4)nn3)CC2)CC1,CSPRBCORVRKALU-UHFFFAOYSA-N
rxn:1:44403:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2cc3c(cc21)OCCO3,CIGFJYIMUBMZTE-OAGZXLRASA-N
rxn:1:53836:30348,Cc1noc(C)c1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4cc(Cl)ncc4F)C3(F)F)nn1)CC2,DBPLONCREJOGQU-UHFFFAOYSA-N
rxn:1:60009:29785,Cc1cccc(C(=O)N2CCCOc3ccccc3C(=O)NCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CC2)n1,QBNBLTDTJWLIOI-XYFKDZRBSA-N
rxn:1:60009:30181,Cc1nn2c(C)c1CN(Cc1ccnc3ccccc13)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,JFLRCKBYOFYMRN-LQKCFQJJSA-N
rxn:1:60009:30224,CN1CC2(CCCN(C(=O)CC3CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,LAYFAZWTVSOLEY-WVUVGWLZSA-N
rxn:1:60009:30512,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ccnn1C)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,GCKBVCKLZTWNTQ-KWDKOVGYSA-N
rxn:1:60009:30547,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CN(C)C(=O)c3cc(C)nn3CC3(CC3)C2)cn1,URXYSGJMDXCAEN-WVUVGWLZSA-N
rxn:1:60009:30859,Cc1cc2n(n1)CCCCN(C(=O)CC1CC1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,GSRJSXBWIALDFW-AAVUUNPCSA-N
rxn:1:60333:30922,CC(=O)C1CCC2C3CC=C4CC(n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ncoc8C)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CCC4(C)C3CCC12C,OOLZSNQUFJBZKE-UHFFFAOYSA-N
rxn:1:60482:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(C(=O)O)ccc5[nH]4)nn3)CC2)CC1,NYQGHILCGGBDSO-UHFFFAOYSA-N
rxn:1:61023:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCN3CCC(N4CCSCC4)CC3)nn1)CC2,HALRGYSXVSLNIE-UHFFFAOYSA-N
rxn:1:61251:30734,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,UETQQVFHJOHACM-UDMRQUEHSA-N
rxn:1:61474:30846,CN1CCCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCOCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,BMLFZGQDJBXWKI-UHFFFAOYSA-N
rxn:1:61482:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)s3)nn1)CC2,CMQNFZVYFNWWRR-UHFFFAOYSA-N
rxn:1:61565:30001,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6ccccc6OCCN(Cc6ccn8ccnc8c6)CCCNC7=O)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,RYJINTYCNHKAJC-AIMMYKHQSA-N
rxn:1:61636:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)N1,NQDVBQWGUPGIQQ-CMNRHFTQSA-N
rxn:1:61924:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,UHQDECOCKJERQN-UHFFFAOYSA-N
rxn:1:62077:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(Cc4ccc(-c5ccccc5-c5nnn[nH]5)cc4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ZFFUIBYZOUDRGG-UHFFFAOYSA-N
rxn:1:62101:30723,O=C1CCC(N2C(=O)c3ccc(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC4)cc3C2=O)C(=O)N1,CFYLVFXTHJMYRS-UHFFFAOYSA-N
rxn:1:62102:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SIKCPWRIVVQXCO-UHFFFAOYSA-N
rxn:1:62102:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,ACLHTPFZVODIIH-UHFFFAOYSA-N
rxn:1:62112:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,QSSFSWQVRZKZOY-UHFFFAOYSA-N
rxn:1:62113:30708,CCCC(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,IKUGAGFISVBCRM-UHFFFAOYSA-N
rxn:1:62115:30238,CN1CC2(CCCN(C(=O)C3CCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,QYSOTDZDGHEVQL-UHFFFAOYSA-N
rxn:1:62116:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SBICPDIVUICXQS-UHFFFAOYSA-N
rxn:1:62270:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nn3)CC2)N1,CZYOLZYGVPPDLY-UHFFFAOYSA-N
rxn:1:63234:30850,COc1cc(Cl)ccc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,CHTYUBYOEXDJNQ-UHFFFAOYSA-N
rxn:1:63326:30868,COc1cc(Br)cc(Br)c1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,KLOYOLARLUVJJM-UHFFFAOYSA-N
rxn:1:63501:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)c(C)c5)C4)nn3)CC2)CC1,VDGDFMNFRHUWAZ-UHFFFAOYSA-N
rxn:1:64313:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Cl)c(Br)cc5C(=O)O)C4)nn3)CC2)CC1,MZECRUKGJHWRHY-UHFFFAOYSA-N
rxn:1:64318:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(Br)cc5C(=O)O)C4)nn3)CC2)CC1,VUSWQXOXNDTTIZ-UHFFFAOYSA-N
rxn:1:64319:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(Cl)cc5C(=O)O)C4)nn3)CC2)CC1,NDQAVYMRTXOODC-UHFFFAOYSA-N
rxn:1:64320:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(F)cc5C(=O)O)C4)nn3)CC2)CC1,OUWBORMJWOUXMC-UHFFFAOYSA-N
rxn:1:64364:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C(=O)O)cc(Cl)c(Br)c5F)C4)nn3)CC2)CC1,YAVRBVWRJUKQRJ-UHFFFAOYSA-N
rxn:1:64367:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C(=O)O)ccc(Br)c5F)C4)nn3)CC2)CC1,GNYUECZGYBXHGF-UHFFFAOYSA-N
rxn:1:64664:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-c6nnc(S)o6)cc5)C4)nn3)CC2)CC1,QVSHKEWKVPRQSB-UHFFFAOYSA-N
rxn:1:65435:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(-c6ccncc6)cs5)C4)nn3)CC2)CC1,MJOGLMUQUWFXDD-UHFFFAOYSA-N
rxn:1:43879:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn2)CC3)cn1,BQDMRTVZECDMDG-CDBBDQOESA-N
rxn:1:44246:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@@H](F)[C@@H]3O)nn1)CC2,OAZBJJHITZZMLW-SYZVXWJRSA-N
rxn:1:44403:29559,CCOC(=O)c1ncn2c1[C@@H](C)N=C(c1ccccc1F)c1cc(-c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)ccc1-2,WLVKWRJFHCYTQF-LWCROMODSA-N
rxn:1:44403:30034,Cc1ncncc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)[C@H](C2)C(=O)NCC1,QJHBNSIOVDBSKH-LVZYSRSQSA-N
rxn:1:44403:30698,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccccc8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,JSDFDLZTZYZSEZ-QSQJVBDRSA-N
rxn:1:51497:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc(-c6cc(C(=O)O)[nH]n6)cc5)C4(F)F)nn3)CC2)CC1,HKLVGCKXRNKQSH-UHFFFAOYSA-N
rxn:1:54066:30350,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(Br)cc(F)c4O)C3(F)F)nn1)CC2,DGMYJGLVJFNURJ-UHFFFAOYSA-N
rxn:1:59315:30850,Cc1cccc(Nc2nc3nonc3nc2-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c1C,MILSHXJMOFOAQS-UHFFFAOYSA-N
rxn:1:59689:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cccnc4=O)O[C@@H]3CO)nn1)CC2,NFRGVUCTVGRTAS-SPHPETMOSA-N
rxn:1:60009:30218,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)C5(c6ccccc6F)CC5)CCCCOc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,HKLHOBCYZDGEQI-ALKIKZFASA-N
rxn:1:60009:30233,CN1CC2(CCCN(C(=O)C3(c4ccccc4F)CC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,CSFCPGPGZXNNFT-UTVRUGRBSA-N
rxn:1:60009:30423,CN1CC2(CCCN(C(=O)c3ccc(F)c(F)c3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,GWNYWGLRXFUZLF-WVUVGWLZSA-N
rxn:1:60391:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)c4)nn3)CC2)CC1,WLOOGAJCNWCLGL-UHFFFAOYSA-N
rxn:1:60400:30850,CC(=O)c1cccc2nc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cncnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)oc12,GAIBOYMOWBVXQN-UHFFFAOYSA-N
rxn:1:61463:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCCC5)s4)nn3)CC2)CC1,QXRPFRZZUYCUTI-UHFFFAOYSA-N
rxn:1:61474:30620,CN1CCCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,OTMZQRLTKRMIJR-UHFFFAOYSA-N
rxn:1:61565:25130,Cc1ccc2c(c1)C1(CC(O)=Nc3c1c(C)nn3-c1ncnc3[nH]cnc13)C(=O)N2Cc1cn([C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@@H]2[C@@H]3C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)nn1,DZBJIHRCENCAQR-DMMZAEMKSA-N
rxn:1:61565:29999,Cc1ocnc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCC1,WVDUKYKBPVWOKD-NVSFSLSESA-N
rxn:1:61636:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,TWOUPQLPBIYULU-XUWULSGGSA-N
rxn:1:61923:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4(O)C(O)C(CO)OC4n4cnc5c(=O)[nH]c(N)nc54)nn3)CC2)CC1,HDTPHGSSBJPBTB-UHFFFAOYSA-N
rxn:1:61924:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,MMBFMMVSEBPTGE-UHFFFAOYSA-N
rxn:1:62102:30726,Cc1cc2n(n1)CCCCN(C(=O)C1CCCC1)CCCC1(CCCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,ZLKAGTTTXPXUOV-UHFFFAOYSA-N
rxn:1:62103:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,AYRUSBSRBJFNDE-UHFFFAOYSA-N
rxn:1:62105:30635,O=C1CCC(N2C(=O)c3ccc(N4CCCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccc(F)cc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,AKYIOQSHFZNYQZ-UHFFFAOYSA-N
rxn:1:62110:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,SAILQESVJJLRPP-UHFFFAOYSA-N
rxn:1:62111:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CC1,RDCUXFNXHLECNC-UHFFFAOYSA-N
rxn:1:62115:30685,CN1CC2(CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CCCCn3nccc3C1=O)CCCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)C2,NJRWDZCLZONDRH-UHFFFAOYSA-N
rxn:1:62116:30708,CCCC(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,GMFOHBNMOWKKBX-UHFFFAOYSA-N
rxn:1:62488:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)NCC5OC(O)C(O)C(O)C5O)c(O)c4)nn3)CC2)CC1,NXOHEHHLPMJRLC-UHFFFAOYSA-N
rxn:1:63164:30868,COC(=O)c1scc(Br)c1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,FYYYVWCFZLNPES-UHFFFAOYSA-N
rxn:1:63637:30850,Cc1nc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Br,ABAODCCJHOQURX-UHFFFAOYSA-N
rxn:1:63844:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5[nH]nc(C)c5-c5ccc(Br)cc5)C4)nn3)CC2)CC1,GOYJJHQOACDPBC-UHFFFAOYSA-N
rxn:1:64287:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(C(=O)O)cc4Br)C3)nn1)CC2,QGXZNRNXKKFJGN-UHFFFAOYSA-N
rxn:1:64476:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N)c(C#N)c(Br)n5)C4)nn3)CC2)CC1,QHTPFADQVPCTCY-UHFFFAOYSA-N
rxn:1:64612:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCC6)c(F)c5)C4)nn3)CC2)CC1,XILHUYBYLDVUBC-UHFFFAOYSA-N
rxn:1:65095:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(-c6cccc(Br)c6)no5)C4)nn3)CC2)CC1,JVYKVFZWUHBNEV-UHFFFAOYSA-N
rxn:1:65389:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccnn5Cc5cccs5)C4)nn3)CC2)CC1,FPMSKIDLAIBXIS-UHFFFAOYSA-N
rxn:1:43879:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,RGGLKVHFUGCFSQ-NDLVYNRVSA-N
rxn:1:43879:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,HVZSGVAJLIMIBG-NDLVYNRVSA-N
rxn:1:44403:25081,Cc1cccc2c1N(Cc1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)C(=O)C21CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12,PNRKYAYWORHWHI-BREYNNJBSA-N
rxn:1:49458:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn1)CC2,TYGICJYCEMVEPE-UHFFFAOYSA-N
rxn:1:54664:30350,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(Cl)ncc4C(F)(F)F)C3(F)F)nn1)CC2,BQRHPSJWNYNFBK-UHFFFAOYSA-N
rxn:1:59728:30736,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2cc(C(=O)N3CCC4(CCCN(C(=O)C5CCCCC5)CCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1,DLWGKAYUBBTIGI-UHFFFAOYSA-N
rxn:1:60009:29921,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(Cc5ccc(C(F)(F)F)nc5)CC5(CC5)COc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,JGRBNBWIUTZDNW-WVUVGWLZSA-N
rxn:1:60009:30115,Cc1ncncc1C(=O)N1CCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FOIOSRJEJYAEJW-XYFKDZRBSA-N
rxn:1:60009:30162,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)C3CCOCC3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,TZVXFOAVDKYHEN-LLJMIXRDSA-N
rxn:1:60009:30769,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2ccccc2OCCOCC1,BYZNSKRECRXHLU-XYFKDZRBSA-N
rxn:1:60404:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6ccc([N+](=O)[O-])cc6o5)c4)nn3)CC2)CC1,LCWOVAMKZUCDGI-UHFFFAOYSA-N
rxn:1:60413:30907,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cncc(F)c7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,FSBBTCRWYDXNIO-UHFFFAOYSA-N
rxn:1:60531:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc6ccccc6cc5[nH]4)nn3)CC2)CC1,MPLOLTUERXGJQW-UHFFFAOYSA-N
rxn:1:60561:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4ncccn4)c3)nn1)CC2,IZVCPMKNYWYQEZ-UHFFFAOYSA-N
rxn:1:60575:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)SC4=NCCN4)c3)nn1)CC2,BHVFGTBQNABEFR-UHFFFAOYSA-N
rxn:1:61565:25081,Cc1cccc2c1N(Cc1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)C(=O)C21CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12,PNRKYAYWORHWHI-GOTKFXCHSA-N
rxn:1:62027:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(COc4nc(N)nc5[nH]cnc45)cc3)nn1)CC2,PHHNXTVYIYABBA-UHFFFAOYSA-N
rxn:1:62045:30620,Cc1cn([C@H]2C[C@@H](n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O,CWZBOXHCTFWMOR-QJUVWIGKSA-N
rxn:1:62105:30256,CN1CC2(CCCN(C(=O)CC3CC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,UMWNCLZVAMTFDR-UHFFFAOYSA-N
rxn:1:62108:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCNc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn2)CC3)cn1,CRXJSFJWOKRESX-UHFFFAOYSA-N
rxn:1:62114:29916,COc1ncc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)cn1,GWZRHGHEPPOHTD-UHFFFAOYSA-N
rxn:1:62115:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,HEHSBHLIPVZEII-UHFFFAOYSA-N
rxn:1:62115:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CC2)c1,OLAJRENUSPPIIQ-UHFFFAOYSA-N
rxn:1:62313:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3[C@H](O)[C@@H](CO)O[C@H]3n3cnc4c(N)ncnc43)nn1)CC2,WCMISHKJMISLNL-XCZDWVJKSA-N
rxn:1:62871:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(Cc5ccc(C(C)(C)C)cc5)C4)nn3)CC2)CC1,JZUVYWCNDLSCHV-UHFFFAOYSA-N
rxn:1:63116:30613,COC(=O)c1cc(Br)c(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,XEIVRXUBFSTYGE-UHFFFAOYSA-N
rxn:1:63283:30850,COc1ccc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1F,MGOLEBOKBARNSR-UHFFFAOYSA-N
rxn:1:63640:30850,Cc1nc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(N)cc1Br,GIAYYWLDBVHDBZ-UHFFFAOYSA-N
rxn:1:64364:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C(=O)O)cc(Cl)c(Br)c5F)C4)nn3)CC2)CC1,XIQLIUGYVXSAIY-UHFFFAOYSA-N
rxn:1:64465:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)ccc6ncccc56)C4)nn3)CC2)CC1,TYDXEPLLNBDWKH-UHFFFAOYSA-N
rxn:1:64469:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(B(O)O)ccc5Cl)C4)nn3)CC2)CC1,HTTGKBNHLNISEB-UHFFFAOYSA-N
rxn:1:64496:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Br)ccc5OC(F)(F)F)C4)nn3)CC2)CC1,DNIVASTUWKXYEF-UHFFFAOYSA-N
rxn:1:64595:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)CC1,WOJZEBOCOKACNI-UHFFFAOYSA-N
rxn:1:64595:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)CC1,AIFACRFFWQQEFT-UHFFFAOYSA-N
rxn:1:65094:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(-c6ccccc6Cl)no5)C4)nn3)CC2)CC1,RRVVVBYYLFMKGB-UHFFFAOYSA-N
rxn:1:65290:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(CN6CCOCC6)c5)C4)nn3)CC2)CC1,STWKWRRIBWWIFK-UHFFFAOYSA-N
rxn:1:65421:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(-c6ccccc6O)cs5)C4)nn3)CC2)CC1,ZIKOQMFROFXFSY-UHFFFAOYSA-N
rxn:1:48059:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4[nH]nc(C(=O)O)c4c3)nn1)CC2,FCLODLGMWKLKIG-UHFFFAOYSA-N
rxn:1:48927:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc(N)c(F)c3F)nn1)CC2,ZUZNCKIJQVJEKE-UHFFFAOYSA-N
rxn:1:49462:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,HPPVTFOCNCRMOY-STGZTNIGSA-N
rxn:1:58766:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3ccnc(N)c3)nn1)CC2,MYVRGHAAZURPLY-UHFFFAOYSA-N
rxn:1:60009:30114,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)C5CCOCC5)CCCOc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,CGFCUMYSTOIHHC-XYFKDZRBSA-N
rxn:1:60009:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,VRJXEYGXKPMBFH-UTVRUGRBSA-N
rxn:1:60009:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FJKCKKQDSINCKW-ALKIKZFASA-N
rxn:1:60399:30922,CC(=O)c1cccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)oc12,SFXOVAXQRZIWRQ-UHFFFAOYSA-N
rxn:1:60459:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(Cl)c([N+](=O)[O-])cc6o5)c4)nn3)CC2)CC1,YVOWZUOULZPMQQ-UHFFFAOYSA-N
rxn:1:60510:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(C#N)ccc6[nH]5)c4)nn3)CC2)CC1,XASHMZSSTVXJAM-UHFFFAOYSA-N
rxn:1:61473:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCCC(O)C5)s4)nn3)CC2)CC1,DHPKRYMTRHEHHB-UHFFFAOYSA-N
rxn:1:61491:30846,CC1CC(C)CN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCOCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)C1,YBBPQHABVYPAQV-UHFFFAOYSA-N
rxn:1:61565:23667,CCOC(=O)c1ncn2c1[C@H](C)N=C(c1ccccc1F)c1cc(-c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)ccc1-2,WLVKWRJFHCYTQF-VZRWXYLQSA-N
rxn:1:61636:30361,CN1CC2(CCCN(Cc3cc(C#N)ccc3F)CCn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,NVAKKSTYOGUHOW-KTLRCIACSA-N
rxn:1:62087:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn2)CC3)cn1,SNVQIFOJVHLOPS-CNLZSYQRSA-N
rxn:1:62102:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IHKYUGWDFLIWIY-UHFFFAOYSA-N
rxn:1:62105:30794,Cc1cc2n(n1)CCCCN(C(=O)c1ccccc1F)CCCC1(CCCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,NFZMRAXFCDRKET-UHFFFAOYSA-N
rxn:1:62110:24445,CN(CCn1cc(CN2C(=O)C3(C(C#N)=C(N)N(c4cccc(F)c4)C4=C3C(=O)CC(C)(C)C4)c3ccccc32)nn1)c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O,HQKYXGJGDZDAHL-UHFFFAOYSA-N
rxn:1:62115:30225,Cc1cc(C)cc(C(=O)N2CCCCOc3ccccc3C(=O)NCC3(CCC2)CCN(C(=O)c2cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)c1,FGMNUPNWBQITNS-UHFFFAOYSA-N
rxn:1:62115:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KQMHQPXZNSXVQJ-UHFFFAOYSA-N
rxn:1:62488:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)NCC5OC(O)C(O)C(O)C5O)c(O)c4)nn3)CC2)N1,RGVOLXQAMJJDLU-UHFFFAOYSA-N
rxn:1:62538:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3C(CO)OC(n4ccc(=O)[nH]c4=O)C3O)nn1)CC2,YBZCWPSVFAHJDT-UHFFFAOYSA-N
rxn:1:63080:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCN(C)CC5)cc4)C3)nn1)CC2,KTXMGAXGZMNWSZ-UHFFFAOYSA-N
rxn:1:63083:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC3CC(=O)N(c4sc5c(c4C#N)CCN(C)C5)C3)nn2)c2c(Br)cc(Cl)cc21,JNHISSLKVACQPK-UHFFFAOYSA-N
rxn:1:63086:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(CCN5CCN(C)CC5)C4)nn3)CC2)CC1,GBMSCGYTACMMBU-UHFFFAOYSA-N
rxn:1:63117:30850,COC(=O)c1cc(Br)c(F)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,UNGNNRWZKYGGDJ-UHFFFAOYSA-N
rxn:1:63135:30868,COC(=O)c1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(I)c1,JTVXWLUDNLUTSW-UHFFFAOYSA-N
rxn:1:63386:30620,CSc1ncc(C#N)c(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,OLACKGKOBNLEDG-UHFFFAOYSA-N
rxn:1:63667:30620,Cc1nc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)sc1C(=O)O,HMTHHDXXNVXRFU-UHFFFAOYSA-N
rxn:1:64319:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(Cl)cc5C(=O)O)C4)nn3)CC2)CC1,OCVLGSJGHCRFBI-UHFFFAOYSA-N
rxn:1:64338:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Br)c(SC#N)cc5Cl)C4)nn3)CC2)CC1,OSLWDFHJXPZHIT-UHFFFAOYSA-N
rxn:1:64364:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)cc(Cl)c(Br)c4F)C3)nn1)CC2,DWHDSHSHKWRNBB-UHFFFAOYSA-N
rxn:1:64464:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)c6ncccc56)C4)nn3)CC2)CC1,ZLSDBEQBAQVKNR-UHFFFAOYSA-N
rxn:1:64757:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)cc5C(=O)O)C4)nn3)CC2)CC1,SSKMKADBPVWPRG-UHFFFAOYSA-N
rxn:1:65228:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(C6CCCCC6)cc5)C4)nn3)CC2)CC1,AHUBQCGYKJSOSY-UHFFFAOYSA-N
rxn:1:43879:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,AYJPXKSIMMQATI-IRJMXFFQSA-N
rxn:1:43879:30907,Nc1ncnc2c1ncn2[C@@H]1O[C@@](CI)(n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)[C@@H](O)[C@H]1O,FZVQRZYJYYRGIT-YZJQNVTBSA-N
rxn:1:48468:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@]4(O)[C@H](O)[C@@H](CO)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)nn3)CC2)CC1,HDTPHGSSBJPBTB-YMCLUEJNSA-N
rxn:1:48567:30620,Cc1nc(C)c(C(O)C(O)CCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)s1,GEPBKAAVLFMZCY-UHFFFAOYSA-N
rxn:1:49011:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4onc(N)c4c3)nn1)CC2,IUNIUONUIOXBMK-UHFFFAOYSA-N
rxn:1:49139:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4c(c3)C(=O)NC4=O)nn1)CC2,IAUQIFRNKRYARY-UHFFFAOYSA-N
rxn:1:51293:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc(-c6csc(N)n6)cc5)C4(F)F)nn3)CC2)CC1,OSFCNPPRXYLNRX-UHFFFAOYSA-N
rxn:1:60009:29775,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cncc(F)c5)CCCOc5cccc(c5)C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,GBVUSPJCVRSFCU-WVUVGWLZSA-N
rxn:1:60009:30198,CC1(C(=O)N2CCCCOc3ccccc3C(=O)NCC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)CCCCC1,XQPLXDXFJNKVFG-YQZOKAAQSA-N
rxn:1:60009:30544,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCCn3cc(cn3)C1=O)CN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCO2,ZSDMYYHZWRWUJP-UUXMVQGASA-N
rxn:1:60009:30938,Cc1cc2n(n1)CCCCN(C(=O)C1CC(F)(F)C1)CCCC1(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C1)CN(C)C2=O,IPFRPSOZCRORQB-ZPEGECIHSA-N
rxn:1:60390:30835,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccon2)CCC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)N1,DPVCTEZVBSKUHR-UHFFFAOYSA-N
rxn:1:60391:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CC2,YQYVLBNGXZBMDD-UHFFFAOYSA-N
rxn:1:60410:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(Cl)cc(Br)c5o4)nn3)CC2)CC1,VFLOOMNRAIWESV-UHFFFAOYSA-N
rxn:1:60447:30850,COC(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,OWOLTCZIVBDZFJ-UHFFFAOYSA-N
rxn:1:60457:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)c3)nn1)CC2,FPHLZIQZURVKLW-UHFFFAOYSA-N
rxn:1:61251:30620,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,WPLPLMJRMRTLMU-YTNVLELGSA-N
rxn:1:61996:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4[C@H](Oc5ccc([N+](=O)[O-])cc5F)OC(CO)[C@H](O)[C@@H]4O)nn3)CC2)CC1,TVEASEVNPWFAQH-LKFNHAFUSA-N
rxn:1:62115:30224,CN1CC2(CCCN(C(=O)CC3CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,PDEOGYASKKKLMP-UHFFFAOYSA-N
rxn:1:62283:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)NCC5O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]5O)c(O)c4)nn3)CC2)CC1,NXOHEHHLPMJRLC-FAGMLTKKSA-N
rxn:1:62290:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3(CO)OC(n4cnc5c(N)ncnc54)C(O)C3O)nn1)CC2,RJFUQPZONJAUKC-UHFFFAOYSA-N
rxn:1:63091:30613,CNC(=O)c1ccc(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,RYZFILLZLDBEHL-UHFFFAOYSA-N
rxn:1:63165:30868,COC(=O)c1nc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,BANQYRIQWXAXKJ-UHFFFAOYSA-N
rxn:1:64309:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(F)ccc(Br)c4C(=O)O)C3)nn1)CC2,BNJQHARRYGTQDL-UHFFFAOYSA-N
rxn:1:64313:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Cl)c(Br)cc5C(=O)O)C4)nn3)CC2)CC1,RFZAQOIATOPGCU-UHFFFAOYSA-N
rxn:1:64313:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)c(Br)cc4C(=O)O)C3)nn1)CC2,SNKUJRKNRICNDU-UHFFFAOYSA-N
rxn:1:64464:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)c6ncccc56)C4)nn3)CC2)CC1,OBGVDXQUBUTWIK-UHFFFAOYSA-N
rxn:1:64478:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N)nc(Br)c5C#N)C4)nn3)CC2)CC1,UUBKKQAFLBQUIR-UHFFFAOYSA-N
rxn:1:64613:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)c(F)c5)C4)nn3)CC2)CC1,ASCNYDPDGFBCHQ-UHFFFAOYSA-N
rxn:1:64765:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)cc5OC(F)(F)F)C4)nn3)CC2)CC1,CKHXWMYITUINOM-UHFFFAOYSA-N
rxn:1:64919:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cnc6ccccc6c5Cl)C4)nn3)CC2)CC1,QWNINOIYCGHJBN-UHFFFAOYSA-N
rxn:1:65228:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(C6CCCCC6)cc5)C4)nn3)CC2)CC1,VSSWXYOPBZADRA-UHFFFAOYSA-N
rxn:1:65236:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(CN6CCOCC6)cc5)C4)nn3)CC2)CC1,CNXZDKZTNXBUDB-UHFFFAOYSA-N
rxn:1:43879:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn([C@]5(CI)O[C@@H](n6cnc7c(N)ncnc76)[C@H](O)[C@@H]5O)nn4)CC3)CC2)co1,JFFGBECRVOUHIW-JBULLMGOSA-N
rxn:1:48796:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cnc(O)c(O)c3)nn1)CC2,FWYUEMXCLOEWMS-UHFFFAOYSA-N
rxn:1:49285:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5ncnc(Cl)c5c4)nn3)CC2)CC1,HGXIHRZBMANJQO-UHFFFAOYSA-N
rxn:1:58830:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3cnn(C)c3N)nn1)CC2,MFYNTJWSQFNSJC-UHFFFAOYSA-N
rxn:1:60009:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,HKKKTOGWTJOGSD-WVUVGWLZSA-N
rxn:1:60137:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@H]4[C@H](Oc5ccc([N+](=O)[O-])cc5Cl)O[C@H](CO)[C@@H](O)[C@@H]4O)nn3)CC2)CC1,ZSSURLIITXBJGJ-QAMUIUCNSA-N
rxn:1:60224:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CC1,LNOXDWSJFDTYRD-UHFFFAOYSA-N
rxn:1:60397:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(C(=O)O)ccc5o4)c3)nn1)CC2,XTHQYYZHQWRJKV-UHFFFAOYSA-N
rxn:1:60411:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(Cl)cc(Br)c6o5)c4)nn3)CC2)CC1,QXJOCTBWCVADJI-UHFFFAOYSA-N
rxn:1:60536:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc([N+](=O)[O-])ccc4n3C)nn1)CC2,FTJDXKVCGSNSKI-UHFFFAOYSA-N
rxn:1:60573:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)C(=N)Sc6nnc[nH]6)c5)nn4)CC3)CC2)co1,GYTLBAPVERYGJJ-UHFFFAOYSA-N
rxn:1:61597:30629,Cc1cc(=O)oc2cc(O[C@@H]3OC4COC(c5ccccc5)O[C@@H]4C(O)C3n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)ccc12,KOUZKWGOOKRDSG-WHNDWEOPSA-N
rxn:1:61965:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4C4OC5COP(=O)(O)OC5C4O)nn3)CC2)CC1,JNMJOGOQBXCFOJ-UHFFFAOYSA-N
rxn:1:62024:30907,Nc1ncnc2c1nc(-n1cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)n2[C@@H]1O[C@H](CO)[C@H](O)C1O,UMIXDOLRUZNNSO-QUOYLOSXSA-N
rxn:1:62105:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,PYYBVCWTTVWNRO-UHFFFAOYSA-N
rxn:1:62112:30491,Cc1nccc(CN2CCCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)n1,UHYINZBXZFVUGR-UHFFFAOYSA-N
rxn:1:62112:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,PSZHADXMHIIXGQ-UHFFFAOYSA-N
rxn:1:62115:30603,Cc1cc2n(n1)CCCCN(C(=O)c1cscn1)CCCC1(CCCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,CSETZWQAWTZCAZ-UHFFFAOYSA-N
rxn:1:62127:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SXJYMTDQFWPFSG-UHFFFAOYSA-N
rxn:1:62241:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@H]3C[C@H](O)[C@@H](CO)O3)nn1)CC2,RACWTELKRBGOAW-BSVYQLSHSA-N
rxn:1:62360:30827,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnn(CC)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)ccc1-2,PJPBXXJUGXEGEV-UHFFFAOYSA-N
rxn:1:63312:30868,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)n1,CFVLMFPERMEBBX-UHFFFAOYSA-N
rxn:1:64309:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(F)ccc(Br)c5C(=O)O)C4)nn3)CC2)CC1,KMCWYZHYCBNBAN-UHFFFAOYSA-N
rxn:1:64311:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Br)c(F)cc5C(=O)O)C4)nn3)CC2)CC1,FHJVEEAKGQKJHV-UHFFFAOYSA-N
rxn:1:64311:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Br)c(F)cc4C(=O)O)C3)nn1)CC2,SDFBVPCJJREFSP-UHFFFAOYSA-N
rxn:1:64314:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(F)c(Br)cc5C(=O)O)C4)nn3)CC2)CC1,HMJXFXCSKJFRAN-UHFFFAOYSA-N
rxn:1:64476:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CC2,IEJQLWNATTVWDI-UHFFFAOYSA-N
rxn:1:64612:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCCCC5)c(F)c4)C3)nn1)CC2,HYQSRSRFUIEAAA-UHFFFAOYSA-N
rxn:1:64669:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-c5nnn[nH]5)cc4)C3)nn1)CC2,OYXNDWYIQURBIZ-UHFFFAOYSA-N
rxn:1:64792:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)cc4Br)C3)nn1)CC2,WNBSUOHFURJNGP-UHFFFAOYSA-N
rxn:1:64859:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CC2,SLDLYQNBVXAESM-UHFFFAOYSA-N
rxn:1:65331:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(N6CCCCC6)c5)C4)nn3)CC2)CC1,DUEZLMDBWJVPDX-UHFFFAOYSA-N
rxn:1:46601:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC=Cc3ccc(O)c(-c4ccno4)c3)nn1)CC2,YJZNJSGXQUFMDJ-UHFFFAOYSA-N
rxn:1:48564:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3C[C@H](N4CCC(=O)NC4=O)O[C@@H]3CO)nn1)CC2,BVSZDPQHICNXKR-SREOESSPSA-N
rxn:1:48956:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cnc4cc[nH]c4c3)nn1)CC2,CLBLZFWJCFGLQY-UHFFFAOYSA-N
rxn:1:48987:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4[nH]nnc4c3)nn1)CC2,FEZKLXVHKYTIQU-UHFFFAOYSA-N
rxn:1:49002:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4nc(N)sc4c3)nn1)CC2,YOXDTBGNSCLQRM-UHFFFAOYSA-N
rxn:1:49121:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5nc(Cl)ccc5c4)nn3)CC2)CC1,OBKYQJJJDFEORJ-UHFFFAOYSA-N
rxn:1:49122:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5nccc(Cl)c5c4)nn3)CC2)CC1,YZMJTCRYHXHGFB-UHFFFAOYSA-N
rxn:1:49277:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3c[nH]c4ncnc(N)c34)nn1)CC2,QWJFEETXKULZDT-UHFFFAOYSA-N
rxn:1:59666:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cc(I)c(=O)[nH]c4=O)O[C@@H]3CO)nn1)CC2,CCYQNMJVJBVHGN-IBHRRMRLSA-N
rxn:1:60009:30169,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)c3cncc(F)c3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,KCLXELOVVVGVEG-DGFOQYQHSA-N
rxn:1:60009:30279,CN1CC2(CCCN(C(=O)C3CCC3)CC3(CC3)COc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,XFUXDNAQCASNDQ-WVUVGWLZSA-N
rxn:1:60413:30614,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7scnc7C)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,KHBWAXFNNVKACI-UHFFFAOYSA-N
rxn:1:60438:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(N)cccc5o4)nn3)CC2)CC1,GNTGBIAPEGPTNT-UHFFFAOYSA-N
rxn:1:60527:30613,Cc1cc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[nH]c2cc1C,HWFYNFPOFCOGCU-UHFFFAOYSA-N
rxn:1:60946:30396,Cc1cn([C@H]2CC(n3cc(C(=O)N4C[C@H]5C[C@@H](C4)c4cc(C6CC6)ccc4OCCCN(C(=O)c4ccnn4C)CCCN(C)C5=O)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCC1,RQNYOYBZQDYJNA-ZIVWOXLDSA-N
rxn:1:61565:30749,CC(=O)N1CCCC2(CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,UGQBDIMWNLFTKG-SJWVLTOKSA-N
rxn:1:61627:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@@H]4[C@@H](Oc5ccc6c(C)cc(=O)oc6c5)O[C@@H]5CO[C@H](c6ccccc6)O[C@@H]5[C@@H]4O)nn2)CC3)cn1,SBCKVVPCPJYSMM-CZMNCGMVSA-N
rxn:1:61639:30620,COc1ccc(C(=O)C(C)n2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)cc1S(N)(=O)=O,JHILCUPMBFMQBO-UHFFFAOYSA-N
rxn:1:61916:30907,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cncc(F)c7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC[C@]3(C)C1CC2,FRLMLZXVKHQJEI-FOOZKPJQSA-N
rxn:1:62105:30560,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cc(C)nn3CC3(CC3)C2)cn1,DVXGYXAEYZAKBU-UHFFFAOYSA-N
rxn:1:62113:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,MQHDZGYZVGYWRQ-UHFFFAOYSA-N
rxn:1:62114:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CCNC(=O)c1cccc(c1)OCCC2,HJQFGSLESYOPLE-UHFFFAOYSA-N
rxn:1:62114:30293,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC7CC6c6ccccc6OCCN(Cc6ccc8nccnc8c6)CCCNC7=O)nn5)CC4)cc3C2=O)C(=O)N1,OSITXAUJCSYRAT-UHFFFAOYSA-N
rxn:1:62117:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XVZHMZOXXYRKPA-UHFFFAOYSA-N
rxn:1:62368:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cc(C(F)(F)F)cc5c(=O)nc(N6CCC7(CC6)OC[C@H](C)O7)sc45)nn3)CC2)CC1,JOUCTOHBMPHRMB-GFDSEFBSSA-N
rxn:1:63313:30868,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Cl)n1,KCUMVNOYSMEABX-UHFFFAOYSA-N
rxn:1:64310:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(F)ccc(Cl)c5C(=O)O)C4)nn3)CC2)CC1,RIYBIEZZCKSUFD-UHFFFAOYSA-N
rxn:1:64318:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(Br)cc4C(=O)O)C3)nn1)CC2,OPTFTQABVFAEJQ-UHFFFAOYSA-N
rxn:1:64506:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)ccc4I)C3)nn1)CC2,CYIVXUGWAWLADK-UHFFFAOYSA-N
rxn:1:64508:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CC2,UIIPOJDKDKEXDH-UHFFFAOYSA-N
rxn:1:64508:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CC2,BKTNGVAGMUIJEC-UHFFFAOYSA-N
rxn:1:64838:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(OC(F)(F)F)cc5Br)C4)nn3)CC2)CC1,NEFLHCQXKKRVGE-UHFFFAOYSA-N
rxn:1:43879:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,CKGKOSNNMFGBBB-KAGVWXDISA-N
rxn:1:46628:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC=Cc3ccc([N+](=O)[O-])c4cnccc34)nn1)CC2,DQGNKAYMTOLDAW-UHFFFAOYSA-N
rxn:1:49285:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4ncnc(Cl)c4c3)nn1)CC2,NUAFSAHDGKPBFJ-UHFFFAOYSA-N
rxn:1:60412:30164,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CC[C@@H]5C[C@H]4C(=O)NCCCN(C(=O)c4cncnc4C)CCCOc4ccc(C6CC6)cc45)nn3)nc2c1,NRJNDJVOXMHBKP-KLFBTDGFSA-N
rxn:1:60412:30908,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,PDZMZLJETWLVAW-UHFFFAOYSA-N
rxn:1:60448:30868,COC(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,VPUBHPVCJDUMSV-UHFFFAOYSA-N
rxn:1:60457:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(S(N)(=O)=O)ccc6o5)c4)nn3)CC2)CC1,CPIWXPZUBBRNKM-UHFFFAOYSA-N
rxn:1:60457:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)c3)nn1)CC2,ZXQVZUGDVSXSNJ-UHFFFAOYSA-N
rxn:1:60560:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)C(=N)Sc4ncccn4)nn3)CC2)CC1,HFUBYHSWHYLJKJ-UHFFFAOYSA-N
rxn:1:60892:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(=O)N3CC(O)C(n4ccnc4)C3)nn1)CC2,ZDAQJDUMTCEZOP-UHFFFAOYSA-N
rxn:1:61565:24404,Cc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)c4ccccc43)C3=C2CCCC3=O)cc1Cl,OTHUNFRGCHFZGA-YJJSZDGMSA-N
rxn:1:61565:30725,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCCC8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WKGLTIGBNJMCSG-NHUFSQECSA-N
rxn:1:61923:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(O)C(O)C(CO)OC3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,QJVIXGOIHUAHDD-UHFFFAOYSA-N
rxn:1:62027:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(COc5nc(N)nc6[nH]cnc56)cc4)nn3)CC2)CC1,VHAGMLVDUNIPTI-UHFFFAOYSA-N
rxn:1:62102:29923,Cc1ccc(F)c(CN2CCCC3(CCN(C(=O)c4cn(C5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)c1,ASZNGXDDPPFPIX-UHFFFAOYSA-N
rxn:1:62105:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)C1=O,VBJXCYGQPGKSFR-CAGDIMIUSA-N
rxn:1:62114:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CC1,IADDFWYDCCIBTK-UHFFFAOYSA-N
rxn:1:62115:30173,Cc1ocnc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,HKHWNWLPISHQGD-VLEYYSFQSA-N
rxn:1:62115:30581,CN1CC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CCCCn3nccc3C1=O)CN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCO2,NLAOICJSTQQUND-UHFFFAOYSA-N
rxn:1:62134:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CC(n4ccc(N)nc4=O)OC3CO)nn1)CC2,IJEYTWKACRBUPG-UHFFFAOYSA-N
rxn:1:62283:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ccc(C(=O)NCC5O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]5O)c(O)c4)nn2)CC3)cn1,BVCUZAXFGNMOFG-NSZUGMKFSA-N
rxn:1:63081:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)CC2)CC1,HJEKAWLACCYKOX-UHFFFAOYSA-N
rxn:1:63320:30922,COc1nc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ncoc5C)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,SXYDBQNHXVBNQN-UHFFFAOYSA-N
rxn:1:64319:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(Cl)cc4C(=O)O)C3)nn1)CC2,UMYQPJPQTVFGHA-UHFFFAOYSA-N
rxn:1:64354:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)cc(OC(F)(F)F)cc5Br)C4)nn3)CC2)CC1,OFKUHYULTSSMOL-UHFFFAOYSA-N
rxn:1:64476:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CC2,FJIZFPGPYAXUQM-UHFFFAOYSA-N
rxn:1:64476:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N)c(C#N)c(Br)n5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,LZOOOFRDBBBMKQ-UHFFFAOYSA-N
rxn:1:64502:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)ccc4Br)C3)nn1)CC2,XGEHFKUAYQHFTE-UHFFFAOYSA-N
rxn:1:64550:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C#N)cc4C(F)(F)F)C3)nn1)CC2,AJUCPJGUUSDLMZ-UHFFFAOYSA-N
rxn:1:64612:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCC6)c(F)c5)C4)nn3)CC2)CC1,NURRZPIRVMJLKN-UHFFFAOYSA-N
rxn:1:65260:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-n5cnnn5)c4)C3)nn1)CC2,GEEKFLFYSDFELN-UHFFFAOYSA-N
rxn:1:65294:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(Cl)c5-n5ccnc5)C4)nn3)CC2)CC1,DJFNGGFODROLKL-UHFFFAOYSA-N
rxn:1:41016:30850,COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,GODQJVMCGQLIRA-UHFFFAOYSA-N
rxn:1:43879:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,NYMKEVCMEAPMAZ-CDBBDQOESA-N
rxn:1:44403:29996,Cc1ncncc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCC1,ZIQGVNYAMDUWLT-LVZYSRSQSA-N
rxn:1:44403:29999,Cc1ocnc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCC1,WVDUKYKBPVWOKD-KDYXQHCKSA-N
rxn:1:52499:30868,COc1ncc(C2CC2CCn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)cc1Cl,KRPSIIUZNMQXQR-UHFFFAOYSA-N
rxn:1:52964:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4cc(C(=O)O)c(F)cc4F)nn3)CC2)CC1,DGPNJWRHBJRGGO-UHFFFAOYSA-N
rxn:1:59428:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCCCCCCCCCC4=NNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nn3)CC2)CC1,XHHZOKMARMDLCV-UHFFFAOYSA-N
rxn:1:60009:30458,Cc1cnccc1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,RLRRJARZQWGNAJ-XYFKDZRBSA-N
rxn:1:60390:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,CBNXZBLYNCFWIU-UHFFFAOYSA-N
rxn:1:60391:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CC2,SJWRSOMSALADSF-UHFFFAOYSA-N
rxn:1:60518:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(Br)c(Br)cc5[nH]4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,NTRZESBRAXYEBE-UHFFFAOYSA-N
rxn:1:61419:30846,CN1CCCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCOCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)o2)CC1,OXJQOZQMWPLPBJ-UHFFFAOYSA-N
rxn:1:61493:30827,CCN1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnn(CC)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,WDUPVEYUPBYNNI-UHFFFAOYSA-N
rxn:1:61565:30126,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cscn6)CCCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DBFAAOFZOSLRAV-WGMRVBDFSA-N
rxn:1:61565:5538,Cc1c(Cl)cccc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc32)C2=C1CCCC2=O,DXWOTCYYCMKBDI-ZWVIDXRVSA-N
rxn:1:62102:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,WBWBWTSSMHBGPQ-UHFFFAOYSA-N
rxn:1:62106:30733,CN1CC2(CCCN(C(=O)c3cn(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCn2cc(cn2)C1=O,SCZKVAIXLCQNDV-UHFFFAOYSA-N
rxn:1:62112:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RGCKZTJAMBXDAY-UHFFFAOYSA-N
rxn:1:62112:30899,CN1CC2(CCCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)c2ccn(C)n2)CCCCn2nccc2C1=O,MCMPRNQDKSFMOH-UHFFFAOYSA-N
rxn:1:62115:30140,CN1CCCN(C(=O)C2CC2)CCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)C1=O,QQOUKXFRXVWZQV-QVBDUFNQSA-N
rxn:1:62130:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CN(c5ccc(N6CCOCC6)c(F)c5)C(=O)O4)nn2)CC3)cn1,DOTRHKVQFVTMRB-UHFFFAOYSA-N
rxn:1:62360:30668,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)ccc1-2,SMVLIFQTXIQVRZ-UHFFFAOYSA-N
rxn:1:63127:30613,COC(=O)c1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ccc1Br,XBTQOKAWGDPRST-UHFFFAOYSA-N
rxn:1:64310:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(F)ccc(Cl)c4C(=O)O)C3)nn1)CC2,RCGVSTMRWDTNOV-UHFFFAOYSA-N
rxn:1:64314:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)c(Br)cc4C(=O)O)C3)nn1)CC2,NGGLAMBJFFWJEJ-UHFFFAOYSA-N
rxn:1:64328:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(I)cccc4C(=O)O)C3)nn1)CC2,LUQSYRTVFZHBSS-UHFFFAOYSA-N
rxn:1:64491:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Br)ccc5C(=O)O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,NJTHILGJOHBKGL-UHFFFAOYSA-N
rxn:1:64508:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Cl)ccc5-c5nnn[nH]5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,VLSBBGAKWHWVQU-UHFFFAOYSA-N
rxn:1:64512:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Cl)ccc5C(=O)O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,AKLWHGMSMOGSFM-UHFFFAOYSA-N
rxn:1:64688:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCC6)cc5)C4)nn3)CC2)CC1,JFGLYSOBVXYCGF-UHFFFAOYSA-N
rxn:1:64900:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(C(=O)O)c4F)C3)nn1)CC2,YFENTWXBGDIZOC-UHFFFAOYSA-N
rxn:1:39926:30850,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,ZVDPSRGYTRSETD-UHFFFAOYSA-N
rxn:1:43435:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC#Cc3ccc(C4(C(=O)O)CC4)cc3)nn1)CC2,HPCMXMKRKSSNNA-UHFFFAOYSA-N
rxn:1:48468:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(O)[C@H](O)[C@@H](CO)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,YXLWQSBWKPNZJI-RKSRVQFCSA-N
rxn:1:49134:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4c(c3)C(=O)C(=O)N4)nn1)CC2,ZDAXWKHWBIFNHW-UHFFFAOYSA-N
rxn:1:49290:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,LFBHHIZSKKHUJF-LHEWISCISA-N
rxn:1:59420:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4n[nH]c5nnc(-c6ccccc6)c(-c6ccccc6)c45)nn3)CC2)CC1,JNKGMOQFGWPXFW-UHFFFAOYSA-N
rxn:1:60009:29865,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C3CCN(c5ncccn5)CC3)CCCOc3ccccc34)nn2)NC(=O)Cc2ccccc2CN1,XBWDPRVPZOPNJA-LZWLHYGRSA-N
rxn:1:60009:30782,Cc1ccc(C(=O)N2CCOCCOc3ccccc3C(=O)N(C)C(C3CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CC2)cn1,FQPJPDCBFQTDBO-JSGNCRLASA-N
rxn:1:60426:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(Cl)ccc6o5)c4)nn3)CC2)CC1,CGCQALPHDYZZOS-UHFFFAOYSA-N
rxn:1:60551:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ccccc4C(F)(F)C(=N)Sc4nncn4C)nn2)CC3)cn1,SXPPPAKKCTYFHB-UHFFFAOYSA-N
rxn:1:60553:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)C(=N)Sc4ccncc4)nn3)CC2)CC1,DNTSYBCNKAWBPU-UHFFFAOYSA-N
rxn:1:62102:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CC2)c1,ICFNWOJOWJOAEF-UHFFFAOYSA-N
rxn:1:62104:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,MATMASSLPHGADS-UHFFFAOYSA-N
rxn:1:62111:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,JHHWUVAZFOAGQW-UHFFFAOYSA-N
rxn:1:62112:30915,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3nccc3C1=O)CCCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)C2,LJBMQWQBQYMFQB-UHFFFAOYSA-N
rxn:1:62114:30756,CN1CC2(CCCN(C(=O)CC3CCCC3)CCCn3cc(cn3)C1=O)CCCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)C2,GHUHPYDVRJKLPK-UHFFFAOYSA-N
rxn:1:62115:5536,N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,FYNVACPUWHPFJL-UHFFFAOYSA-N
rxn:1:62117:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,ICOPUXSYCNVJSW-UHFFFAOYSA-N
rxn:1:63081:29923,Cc1ccc(F)c(CN2CCCC3(CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(N7CCN(C)CC7)cn6)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)c1,VCVOBSSPWPDIBB-UHFFFAOYSA-N
rxn:1:63081:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,SLTDKGQSEHNMAZ-UHFFFAOYSA-N
rxn:1:63191:30620,COC(=O)c1cnc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)s1,WACLEADBLVROHO-UHFFFAOYSA-N
rxn:1:63849:30620,Cc1n[nH]c(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)c1N,GMPSJTRTMFFRLU-UHFFFAOYSA-N
rxn:1:64268:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4cnccn4)C3)nn1)CC2,YATCYRJRIQRJSY-UHFFFAOYSA-N
rxn:1:64315:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)c(F)cc4C(=O)O)C3)nn1)CC2,DQLUNFGJEDIPBY-UHFFFAOYSA-N
rxn:1:64322:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(F)cc(F)cc4C(=O)O)C3)nn1)CC2,BEZQYTAVDIXRKX-UHFFFAOYSA-N
rxn:1:64330:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)ccc(F)c4F)C3)nn1)CC2,KVCLXPBJNDSOPA-UHFFFAOYSA-N
rxn:1:64367:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)ccc(Br)c4F)C3)nn1)CC2,VSJDYMUNMIPTSP-UHFFFAOYSA-N
rxn:1:64479:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)c(C#N)cc4F)C3)nn1)CC2,BEFXMEGAAGAJIU-UHFFFAOYSA-N
rxn:1:64502:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)ccc4Br)C3)nn1)CC2,RDQQCNXTKSCDSG-UHFFFAOYSA-N
rxn:1:64669:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-c5nnn[nH]5)cc4)C3)nn1)CC2,BKHBCBIBVQQMOB-UHFFFAOYSA-N
rxn:1:64766:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)cc5OC(F)F)C4)nn3)CC2)CC1,NUYNTDRUVUQPHM-UHFFFAOYSA-N
rxn:1:64838:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(OC(F)(F)F)cc5Br)C4)nn3)CC2)CC1,HUWXBTASMQYCRY-UHFFFAOYSA-N
rxn:1:43609:30907,Cc1cc2c(cc1C#CCn1cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)C(C)(C)CCC2(C)C,CQVFJFYFKNLINJ-UHFFFAOYSA-N
rxn:1:49443:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,HWGFQJFMXUFWDC-UHFFFAOYSA-N
rxn:1:51950:30850,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,DQGWSQYLUQCSNN-UHFFFAOYSA-N
rxn:1:60009:30720,CN1CC2(CCCN(C(=O)C3CCCC3)CCCn3nccc3C1=O)CN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCO2,FBOLWZVCXBFYIT-MQBZATMHSA-N
rxn:1:60412:30629,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,LUJHFBHSSOPTJP-UHFFFAOYSA-N
rxn:1:60469:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5ccccc5n4-c4ccc(Cl)cc4)nn3)CC2)CC1,XNBJLJQGTCYKDY-UHFFFAOYSA-N
rxn:1:60512:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(Br)cc(C)c6[nH]5)c4)nn3)CC2)CC1,DYDRROVPUHYOMN-UHFFFAOYSA-N
rxn:1:60632:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@@H]5OC(C)(C)O[C@@H]54)nn3)CC2)CC1,SKSACIOFGZREJK-XQQDXVKHSA-N
rxn:1:61351:30620,CCNc1nc(=O)n([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)cc1C,IYNUSTFAYJYTNP-CGUXBRGKSA-N
rxn:1:61565:30471,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cncc(F)c8)CCCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MDYXLRAZXHDHJY-XRBATDKBSA-N
rxn:1:61616:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,KEOVQXXIARWJBL-STGZTNIGSA-N
rxn:1:61632:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@@H]4[C@H](Oc5ccc([N+](=O)[O-])cc5Cl)O[C@H](CO)[C@H](O)[C@@H]4O)nn3)CC2)CC1,VGUZFAJFNOPLTB-XQKHVGPMSA-N
rxn:1:62105:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,LATIENBJNUNNSO-UHFFFAOYSA-N
rxn:1:62115:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WDIGTTFVPJBKOV-UHFFFAOYSA-N
rxn:1:62117:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VYFLIRZPZVWGIW-UHFFFAOYSA-N
rxn:1:62136:30734,Nc1ncnc2c1nc(-n1cc(C(=O)N3CCC(C4CCN(C(=O)C5CCCCC5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)n2C1OC(CO)C(O)C1O,GTAAOPWXFHHPCN-UHFFFAOYSA-N
rxn:1:62136:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,NJTSNJBLUIKDKS-UHFFFAOYSA-N
rxn:1:63081:30635,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccc(F)cc7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)nc2)CC1,JROWHJVZHOZPBN-UHFFFAOYSA-N
rxn:1:63111:30620,CNc1ncnc(Cl)c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,ZSPGMIQPDBSMEP-UHFFFAOYSA-N
rxn:1:63641:30850,Cc1nc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c([N+](=O)[O-])cc1Br,WSAJTTFAVJHRKN-UHFFFAOYSA-N
rxn:1:63658:30869,Cc1nc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)c(Cl)n1,RLHURDMNNCXKRQ-UHFFFAOYSA-N
rxn:1:64287:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(C(=O)O)cc4Br)C3)nn1)CC2,ZEOQBUAJMOSBBZ-UHFFFAOYSA-N
rxn:1:64291:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc([N+](=O)[O-])cc4Br)C3)nn1)CC2,JIMURKIZEBLBRR-UHFFFAOYSA-N
rxn:1:64314:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)c(Br)cc4C(=O)O)C3)nn1)CC2,IYDNPVJMYLTHRS-UHFFFAOYSA-N
rxn:1:64568:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(OC(F)(F)F)c(Br)c5)C4)nn3)CC2)CC1,XXWBJHLAYHVUQT-UHFFFAOYSA-N
rxn:1:64595:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)N1,WUWSWSKYQHJZFQ-UHFFFAOYSA-N
rxn:1:64736:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(=O)N4N=C5C(=Cc6ccc(F)cc6)CCCC5C4c4ccc(F)cc4)nn3)CC2)CC1,UDGCIBWFZDISPX-UHFFFAOYSA-N
rxn:1:64865:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccccc4-n4cnnn4)C3)nn1)CC2,BIBQGBQJTJFMGO-UHFFFAOYSA-N
rxn:1:64899:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(C(=O)O)c4Br)C3)nn1)CC2,SWSWRLBPBXSVEJ-UHFFFAOYSA-N
rxn:1:65095:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(-c6cccc(Br)c6)no5)C4)nn3)CC2)CC1,NWUWZPBJHYAQGV-UHFFFAOYSA-N
rxn:1:65265:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(Br)c4C(=O)O)C3)nn1)CC2,KERYDBIEDHMYFT-UHFFFAOYSA-N
rxn:1:65299:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(Cl)c4C(=O)O)C3)nn1)CC2,JNQIPAYZQPHOBR-UHFFFAOYSA-N
rxn:1:44403:29776,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cncc(F)c8)CCCOc8cccc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,ULASSWPHETYACX-KVHBEAKCSA-N
rxn:1:44403:30471,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cncc(F)c8)CCCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MDYXLRAZXHDHJY-YBOVLIMXSA-N
rxn:1:44403:5538,Cc1c(Cl)cccc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc32)C2=C1CCCC2=O,DXWOTCYYCMKBDI-BCBOWNJDSA-N
rxn:1:46592:30868,Cc1nc(O)c2cc(C=CCCn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)ccc2n1,UATQKDVIYUBPEI-UHFFFAOYSA-N
rxn:1:47801:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3cccc(S(N)(=O)=O)c3)nn1)CC2,XFBGESLHZKSUOP-UHFFFAOYSA-N
rxn:1:47802:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(S(N)(=O)=O)cc3)nn1)CC2,DGZJHCJQJCWEIB-UHFFFAOYSA-N
rxn:1:49462:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5nc6c(N)ncnc6n5[C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)nn4)CC3)CC2)c1,UHXMHIAOJHGCHG-BCYXCRKESA-N
rxn:1:53138:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCN(C5CCN(C(=O)OC(C)(C)C)CC5)C4=O)nn3)CC2)CC1,KGTUCEJZHCJRPA-UHFFFAOYSA-N
rxn:1:59428:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(C4CCCCCCCCCCC4=NNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nn3)CC2)N1,SPHCAGMHHLWUFL-UHFFFAOYSA-N
rxn:1:60390:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,CWIMPWDZRYFIQT-UHFFFAOYSA-N
rxn:1:60403:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ccccc4C(F)(F)c4nc5ccc([N+](=O)[O-])cc5o4)nn2)CC3)cn1,ADLNWGXNJJUKJP-UHFFFAOYSA-N
rxn:1:60446:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(C)(=O)=O)ccc5o4)c3)nn1)CC2,WINGBSGEWNVGHC-UHFFFAOYSA-N
rxn:1:60457:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)c3)nn1)CC2,CWXSEMDETDTELE-UHFFFAOYSA-N
rxn:1:60829:30850,Cc1cc(C)c(-c2cnc(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)o2)cc1C,ULPKJKNEQIEKDI-UHFFFAOYSA-N
rxn:1:61761:30850,CC(=O)N(C1=C(n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)C(=O)c2ccccc2C1=O)c1ccccc1,FGTKCEPIEZTWDY-UHFFFAOYSA-N
rxn:1:61924:30602,CN1CC2(CCCN(C(=O)c3cscn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,HSOBJRSUTVHVDS-UHFFFAOYSA-N
rxn:1:62024:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@H](O)C3O)nn1)CC2,XUUJNUKHEAMBMX-GFEZPYLTSA-N
rxn:1:62117:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JRZAYTXFXIJEEV-UHFFFAOYSA-N
rxn:1:63081:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)CC2)CC1,BXKIEOCOYWSKRM-UHFFFAOYSA-N
rxn:1:63207:30620,COCc1nnc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)s1,GBJFAJBODDFOGA-UHFFFAOYSA-N
rxn:1:63389:30922,CSc1nc(Cl)cc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,PBIYPHPQRAROGE-UHFFFAOYSA-N
rxn:1:63778:30850,Cc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)nc1Br,NRAMYBDYNUZVBK-UHFFFAOYSA-N
rxn:1:63924:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)cnn4C)C3)nn1)CC2,VVPCOTTXTIZIOK-UHFFFAOYSA-N
rxn:1:64524:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)ccc4C(=O)O)C3)nn1)CC2,RRVPNWBWPJYKSJ-UHFFFAOYSA-N
rxn:1:64839:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6cc(OC(F)(F)F)ccc6N)C5)nn4)CC3)CC2)co1,WDZQPFFCVZVDMO-UHFFFAOYSA-N
rxn:1:65227:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)c(F)c4F)C3)nn1)CC2,QJWDPIWOGZYRDZ-UHFFFAOYSA-N
rxn:1:65314:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(F)c4C(=O)O)C3)nn1)CC2,NLMWOGOCLKSRIB-UHFFFAOYSA-N
rxn:1:65386:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccnn4CCO)C3)nn1)CC2,JNABLCVWMQPCFZ-UHFFFAOYSA-N
rxn:1:65390:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cnn(CC(=O)O)c4)C3)nn1)CC2,ITJNRQADINWPLF-UHFFFAOYSA-N
rxn:1:65582:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(-c5ccncc5)s4)C3)nn1)CC2,IWGMNKOCLMRUBX-UHFFFAOYSA-N
rxn:1:65588:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(C5CC5)s4)C3)nn1)CC2,FBHZDYQAEGOAJT-UHFFFAOYSA-N
rxn:1:39926:30628,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,DVOWYVOBYDDHOB-UHFFFAOYSA-N
rxn:1:39926:30868,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,PZCXDDXUSZOOGR-UHFFFAOYSA-N
rxn:1:41746:30850,COc1cc(C=CCn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)cc(I)c1O,KYBDYWMVJXUQLG-UHFFFAOYSA-N
rxn:1:49299:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(O)C(O)CC(N)=O)c3)nn1)CC2,KNKBJTHLTSBSNO-UHFFFAOYSA-N
rxn:1:51456:30850,COC(=O)c1cc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)cc2[nH]ncc12,NOFARNQTQIXIOK-UHFFFAOYSA-N
rxn:1:53032:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc(S(N)(=O)=O)cc4F)nn3)CC2)CC1,HYORMJNWPUUCSP-UHFFFAOYSA-N
rxn:1:53083:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc5ncc(Cl)nc5c4)nn3)CC2)CC1,URGFAADDYDAVCP-UHFFFAOYSA-N
rxn:1:53141:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc5ncnc(N)c5c4)nn3)CC2)CC1,PBAYWIACQNQEJL-UHFFFAOYSA-N
rxn:1:58832:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3cn(C)nc3N)nn1)CC2,YZXRVBPJOYBEPV-UHFFFAOYSA-N
rxn:1:59349:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCCCc4c[nH]c5ncnc(N)c45)nn3)CC2)CC1,WEIZGSDHEMVTSB-UHFFFAOYSA-N
rxn:1:59481:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCCCc4ccc5nccc(Cl)c5c4)nn3)CC2)CC1,QAWYJHICMRVEBJ-UHFFFAOYSA-N
rxn:1:60009:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,AWVGWRHZPZFQLV-JFDROPRKSA-N
rxn:1:60391:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7c(cc(S(=O)(=O)O)c8ccccc87)o6)c5)nn4)CC3)CC2)co1,IIYJVAIVNYGZBT-UHFFFAOYSA-N
rxn:1:60413:30154,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCNC(=O)c6cccc(c6)OCCCn6nc(C)c(c6C)CN(C(=O)c6ccc(C)nc6)CC5)nn4)c3)nc2c1,HQOOPHKXJXWEFZ-UHFFFAOYSA-N
rxn:1:60514:30850,Cc1cc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2cc1Br,HIPJVSWZVCIRGZ-UHFFFAOYSA-N
rxn:1:61616:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,KSEYJDYPSGIDLN-WDZRAGPMSA-N
rxn:1:61636:30938,Cc1cc2n(n1)CCCCN(C(=O)C1CC(F)(F)C1)CCCC1(CCCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)C1)CN(C)C2=O,BYOSHPMNTBRFEP-HDMBIGBZSA-N
rxn:1:62112:30565,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1cnccc1C)CCCC1(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,CJZXSSAZHZNHFK-UHFFFAOYSA-N
rxn:1:62112:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,QYJVJUVBBBQKJP-UHFFFAOYSA-N
rxn:1:62115:30756,CN1CC2(CCCN(C(=O)CC3CCCC3)CCCn3cc(cn3)C1=O)CCCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)C2,PSVFOEZIECRGEY-UHFFFAOYSA-N
rxn:1:62116:30723,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,MRBLNFMSEYBIOV-UHFFFAOYSA-N
rxn:1:63116:30850,COC(=O)c1cc(Br)c(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,IEHUMSLAPDWBCG-UHFFFAOYSA-N
rxn:1:64364:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)cc(Cl)c(Br)c4F)C3)nn1)CC2,XHJTWVUONUILEG-UHFFFAOYSA-N
rxn:1:64416:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)c([N+](=O)[O-])cc4N)C3)nn1)CC2,AVQLYTBFGHWGDL-UHFFFAOYSA-N
rxn:1:64480:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)c(C(=O)O)cc4F)C3)nn1)CC2,GUZHRFALRXCDJL-UHFFFAOYSA-N
rxn:1:64508:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CC2,GINIKPHSLDOSAC-UHFFFAOYSA-N
rxn:1:64803:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(Cl)cc4C(=O)O)C3)nn1)CC2,RIYWZMVQOZTKAN-UHFFFAOYSA-N
rxn:1:64816:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(F)cc4C(=O)O)C3)nn1)CC2,MTLNNAFITTYBPO-UHFFFAOYSA-N
rxn:1:64899:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(C(=O)O)c4Br)C3)nn1)CC2,ICZHUENHGFJQJU-UHFFFAOYSA-N
rxn:1:65255:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-c5nnn[nH]5)c4)C3)nn1)CC2,KOJMNZDHFISWOP-UHFFFAOYSA-N
rxn:1:39926:30668,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,TYJMBJXFFIMDGT-UHFFFAOYSA-N
rxn:1:43879:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,GLIMDKIBFHQJPB-CDBBDQOESA-N
rxn:1:47536:30620,COc1ccc(N)cc1C(O)C(O)Cn1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)c(Cl)c4)CCCOc4ccccc4-c4cncc(c4)C(=O)N(C)C3)CC2)nn1,MCZYMCOQNOTYFI-UHFFFAOYSA-N
rxn:1:47771:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(/C(N)=N/O)cc3)nn1)CC2,XGRVIGZNFSMHKJ-UHFFFAOYSA-N
rxn:1:47945:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(S(N)(=O)=O)c(Cl)c3)nn1)CC2,SIMWDAWDXOGJOQ-UHFFFAOYSA-N
rxn:1:49114:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5c(Cl)ncnc5c4)nn3)CC2)CC1,FETKEUPRCXRGOA-UHFFFAOYSA-N
rxn:1:58535:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCSc3nnnn3C3CCCC3)nn1)CC2,BWOKNHQDRJTSIY-UHFFFAOYSA-N
rxn:1:60224:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)CC3)CC2)co1,YEFWQZVXYOJHJE-UHFFFAOYSA-N
rxn:1:60511:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(Br)cc(C)c5[nH]4)nn3)CC2)CC1,ASBFZOBJIJMBSF-UHFFFAOYSA-N
rxn:1:61565:30630,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cnccn8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CCFRINANFKVMGB-CQWOQDRNSA-N
rxn:1:61565:30757,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCCC8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WYXPSGIOBSSRRT-CTGFJFBKSA-N
rxn:1:61636:29791,O=C1NCC2(CCCN(Cc3cccnc3)CC3(CC3)COc3ccccc31)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,QSLMZWZDIJVABF-JEQJLXBKSA-N
rxn:1:61636:30195,COc1ccc(CN2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,NQTOWKPCSUVWOQ-QXVZUVDFSA-N
rxn:1:61636:30714,CN1CC2(CCCN(C(=O)C3CCCC3)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,GHGBZWVIDPCRAW-BQXNVAMJSA-N
rxn:1:61924:30204,Cc1cc(C)cc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn2)CC3)c1,AHNQGNXMGHQGTN-UHFFFAOYSA-N
rxn:1:62075:30688,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](OCCCn7cc(C(=O)N8CCC9(CCN(C(=O)c%10ccccn%10)CCCOc%10ccc(F)cc%10C(=O)NC9)CC8)nn7)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,XDWBSLSRPMCXIN-LFFPWJAOSA-N
rxn:1:62105:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,LEZMEINOCKSZPB-UHFFFAOYSA-N
rxn:1:62113:30734,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,UGZLVIFNAKJQCR-UHFFFAOYSA-N
rxn:1:62115:30167,Cc1nc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)c3cc(C4CC4)ccc3OCCC2)co1,FDUFYTFAHKQFEL-KJYKRRFASA-N
rxn:1:62115:30545,Cc1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cc(C)nn3CC3(CC3)C2)n1,SLQVJTBUTUCOHO-UHFFFAOYSA-N
rxn:1:62116:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,RALBLLHHNOMTNV-UHFFFAOYSA-N
rxn:1:63382:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4ccc(S(C)(=O)=O)cc4)C3)nn1)CC2,UYSMGSUPQWBOGA-UHFFFAOYSA-N
rxn:1:64256:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(Cc5nc(-c6cccnc6)no5)C4)nn3)CC2)N1,KWGQKZCYDHVQNC-UHFFFAOYSA-N
rxn:1:64311:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Br)c(F)cc4C(=O)O)C3)nn1)CC2,XHAIPVMLBNKCQX-UHFFFAOYSA-N
rxn:1:64326:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Cl)cccc4C(=O)O)C3)nn1)CC2,NFWFLDIMRXHOKZ-UHFFFAOYSA-N
rxn:1:64364:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C(=O)O)cc(Cl)c(Br)c5F)C4)nn3)CC2)N1,OMHFNVLGRQNUSW-UHFFFAOYSA-N
rxn:1:64382:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(F)c(C(=O)O)c4F)C3)nn1)CC2,XRDKONLVZQCWGF-UHFFFAOYSA-N
rxn:1:64508:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CC2,GALFBSIRMNAXFD-UHFFFAOYSA-N
rxn:1:64512:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4C(=O)O)C3)nn1)CC2,KXCRJRNJNRCIBA-UHFFFAOYSA-N
rxn:1:64587:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc([N+](=O)[O-])c(C(=O)O)c4)C3)nn1)CC2,IDSBGUKJBMMUQH-UHFFFAOYSA-N
rxn:1:65244:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(Cn5cncn5)cc4)C3)nn1)CC2,PRPDGQLWNUEAFE-UHFFFAOYSA-N
rxn:1:65260:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-n5cnnn5)c4)C3)nn1)CC2,OGXGWFYJFNUPOD-UHFFFAOYSA-N
rxn:1:65558:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5[nH]ccc45)C3)nn1)CC2,KJTYBOXISWPDQP-UHFFFAOYSA-N
rxn:1:44403:30638,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccc(F)cc8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,SDMMUIRNMSWBRD-FCUYDPNFSA-N
rxn:1:49137:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4c(c3)NC(=O)C4=O)nn1)CC2,HRNZWMKIJNGLPQ-UHFFFAOYSA-N
rxn:1:49462:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,RXBMSTHKMRXDTR-STGZTNIGSA-N
rxn:1:60399:30868,CC(=O)c1cccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)oc12,HQPIXBPNFWFRBA-UHFFFAOYSA-N
rxn:1:60500:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5ccccc5n4C)nn3)CC2)CC1,XVDXTMYXZXFPJW-UHFFFAOYSA-N
rxn:1:60561:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)C(=N)Sc5ncccn5)c4)nn3)CC2)CC1,ICKGSHMCIDPBNJ-UHFFFAOYSA-N
rxn:1:60573:30690,N=C(Sc1nnc[nH]1)C(F)(F)c1cccc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c1,ILCYQPQOQSRNBK-UHFFFAOYSA-N
rxn:1:61474:30724,CN1CCCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,BUILGKGBLGTGBL-UHFFFAOYSA-N
rxn:1:61480:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CC(=O)N(C)C5)s4)nn3)CC2)CC1,MDGRALFYTPPFLO-UHFFFAOYSA-N
rxn:1:61636:30353,Cc1ncccc1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,DKWDGAMATBHYNT-KTLRCIACSA-N
rxn:1:61636:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,YFDLKHJUGWVYLV-MTTXBAGSSA-N
rxn:1:62052:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn1)CC2,ATVFCEAPLMTKJE-UHFFFAOYSA-N
rxn:1:62102:29922,CC(C)n1nccc1CN1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CNC(=O)c2ccccc2OCC2(CC2)C1,JMWROOSTRULPIU-UHFFFAOYSA-N
rxn:1:62106:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RQDZTABTGDVYRM-UHFFFAOYSA-N
rxn:1:62116:30801,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,ZDRWPYZBBMMESE-UHFFFAOYSA-N
rxn:1:62749:30620,C[C@@H](CO)N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,JOGUMBKCGROEOB-UFXYQILXSA-N
rxn:1:62860:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(OC(C)(C)C)cc4)C3)nn1)CC2,WJOBOFSKZMFBIW-UHFFFAOYSA-N
rxn:1:63253:30850,COc1ccc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1,IQDLMGATLLFZTP-UHFFFAOYSA-N
rxn:1:64100:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4cncnc4)C3)nn1)CC2,JNXFPJRQJWNAOB-UHFFFAOYSA-N
rxn:1:64120:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4nccs4)C3)nn1)CC2,BWXIBCNTCGEKGU-UHFFFAOYSA-N
rxn:1:64321:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Cl)cc(F)cc4C(=O)O)C3)nn1)CC2,REUFCTBMKOJOTM-UHFFFAOYSA-N
rxn:1:64474:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)c(F)cc4F)C3)nn1)CC2,GAYWORXLUQUDPM-UHFFFAOYSA-N
rxn:1:64505:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)ccc4F)C3)nn1)CC2,JNCLSBLXJJXDMI-UHFFFAOYSA-N
rxn:1:64584:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(F)c(C(=O)O)c4)C3)nn1)CC2,YXQFVSCCZYMPAA-UHFFFAOYSA-N
rxn:1:64925:30628,N#Cc1cnn(-c2ccc(Br)cc2)c1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,JUZYEVNMNIFVFH-UHFFFAOYSA-N
rxn:1:65196:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)cc(F)c4C(=O)O)C3)nn1)CC2,RKFZLAYAVKEFJX-UHFFFAOYSA-N
rxn:1:65246:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6cc(Br)ccc6n5)C4)nn3)CC2)CC1,HYHBTUHOVWQLQD-UHFFFAOYSA-N
rxn:1:39926:30690,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,SOJLFUXVNGWDDV-UHFFFAOYSA-N
rxn:1:39926:30836,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccon6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,SFYKGESSVCDXFG-UHFFFAOYSA-N
rxn:1:39926:30907,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,GPIDGKQRKAOZJT-UHFFFAOYSA-N
rxn:1:46589:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC=Cc3ccc4[nH]nc(C(=O)O)c4c3)nn1)CC2,MBSJHCRIGPYBME-UHFFFAOYSA-N
rxn:1:49124:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5c(Cl)ccnc5c4)nn3)CC2)CC1,XWBOWSUDIKQUHG-UHFFFAOYSA-N
rxn:1:49475:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)nn2)CC3)cn1,YGCDNFDYBCPFSB-UHFFFAOYSA-N
rxn:1:53228:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4c(F)c(F)c(C(=O)O)c(F)c4F)nn3)CC2)CC1,AQVLIJUQNPKPMJ-UHFFFAOYSA-N
rxn:1:60009:29915,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(Cc5ccn6ccnc6c5)CC5(CC5)COc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,OWCYJKMJBYPYAL-UTVRUGRBSA-N
rxn:1:60009:30630,CN1CC2(CCCN(C(=O)c3cnccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,XCLRCNJNUXUUGA-HLGWTGTNSA-N
rxn:1:60434:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(C)cccc5o4)nn3)CC2)CC1,QGTBPCLDZHOUHI-UHFFFAOYSA-N
rxn:1:60438:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(N)cccc4o3)nn1)CC2,HPKONBGHSFJYGC-UHFFFAOYSA-N
rxn:1:60455:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4cccc(C(F)(F)c5nc6cc(Cl)cc([N+](=O)[O-])c6o5)c4)nn2)CC3)cn1,AAMLUMQOPPDXSL-UHFFFAOYSA-N
rxn:1:60461:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6ccccc6o5)c4)nn3)CC2)CC1,GWZBWWUJYVQVSE-UHFFFAOYSA-N
rxn:1:60487:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(F)ccc5n4C)nn3)CC2)CC1,YVBLASXQFOUZPN-UHFFFAOYSA-N
rxn:1:60491:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(O)cccc5[nH]4)nn3)CC2)CC1,XHMNYJOQWHOCRS-UHFFFAOYSA-N
rxn:1:60533:30868,COc1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,ZLFSDAYCMMNBND-UHFFFAOYSA-N
rxn:1:60538:30868,COC(=O)c1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,ULSTUIBIFFURDN-UHFFFAOYSA-N
rxn:1:61636:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,OZWZHTOQGXAMPG-STGZTNIGSA-N
rxn:1:61924:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,FEROESAZUKAFET-UHFFFAOYSA-N
rxn:1:62087:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,ZLFUNNRUDQBDPA-CNLZSYQRSA-N
rxn:1:62105:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,GEMGYKWEPKSIPG-UHFFFAOYSA-N
rxn:1:62115:30801,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,PUYBEWHKEJQBNZ-UHFFFAOYSA-N
rxn:1:62117:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,NYTVPCKSLIRJEK-UHFFFAOYSA-N
rxn:1:63117:30613,COC(=O)c1cc(Br)c(F)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,IMAHFMCAJCURIN-UHFFFAOYSA-N
rxn:1:63855:30620,Cc1nc(-c2cccc(N3CC(Cn4cc(C(=O)N5CCC6(CCCN(C(=O)c7ccc(Cl)c(Cl)c7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)CC3=O)c2)n[nH]1,MIXFSYXIIWRYOT-UHFFFAOYSA-N
rxn:1:64320:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(F)cc4C(=O)O)C3)nn1)CC2,LTZOXOUJQSYPIT-UHFFFAOYSA-N
rxn:1:64613:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)c(F)c5)C4)nn3)CC2)N1,INNPAQDQTJNIDE-UHFFFAOYSA-N
rxn:1:64716:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)nc5)C4)nn3)CC2)N1,DSXNNWSGTWBJOU-UHFFFAOYSA-N
rxn:1:64794:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)cc4Cl)C3)nn1)CC2,KNJLEZXQTCKDIL-UHFFFAOYSA-N
rxn:1:64859:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CC2,KTPQBUIOWOFFFZ-UHFFFAOYSA-N
rxn:1:64859:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CC2,TYCFADGGFFJFRV-UHFFFAOYSA-N
rxn:1:64859:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CC2,QDIKYHCLNIOJSW-UHFFFAOYSA-N
rxn:1:49095:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cccc5cccc(Cl)c45)nn3)CC2)CC1,DDEIOEAPMIJTFR-UHFFFAOYSA-N
rxn:1:53173:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc(N5CCNCC5)cc4)nn3)CC2)CC1,VCMJOJVAYSLNRE-UHFFFAOYSA-N
rxn:1:59303:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3cccc4[nH]cnc34)nn1)CC2,UBFIKEBELJXXIC-UHFFFAOYSA-N
rxn:1:60009:30595,COc1ccccc1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)CCC1,JVHDQZHFXKYMFD-ZBCIGMMASA-N
rxn:1:60224:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CC1,CYNVZURIVRUSPZ-UHFFFAOYSA-N
rxn:1:60413:29871,CCn1ccnc1CN1CCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(=O)(=O)NC)ccc5o4)c3)nn1)CC2,DIDCOJKTWQQMQT-UHFFFAOYSA-N
rxn:1:60413:30668,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccncc7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,KMJFCAGVVKDIIS-UHFFFAOYSA-N
rxn:1:60475:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7c8c(ccc7[nH]6)C(=O)c6ccccc6C8=O)c5)nn4)CC3)CC2)co1,MZRAVYKWLLFZBC-UHFFFAOYSA-N
rxn:1:60482:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(C(=O)O)ccc5[nH]4)nn3)CC2)CC1,WMRPADLOKAOIKC-UHFFFAOYSA-N
rxn:1:60487:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(F)ccc5n4C)nn3)CC2)CC1,LBZDGYBAUDMDFI-UHFFFAOYSA-N
rxn:1:60488:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7cc(F)ccc7n6C)c5)nn4)CC3)CC2)co1,NRQZMEMQELRBPO-UHFFFAOYSA-N
rxn:1:60533:30850,COc1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,NSDFAPNUJQDZBD-UHFFFAOYSA-N
rxn:1:61565:30756,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCCC7(CCCN(C(=O)CC8CCCC8)CCCn8cc(cn8)C(=O)N(C)C7)C6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,GXZLZPKKPWSHHL-ZTSLAXBPSA-N
rxn:1:61732:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(C[C@H]4CN(c5ccc(N6CCOCC6)c(F)c5)C(=O)O4)nn3)CC2)N1,QGCVUSZFYSVMSL-LUEXLKCISA-N
rxn:1:62024:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@H](O)C4O)nn3)CC2)CC1,QZKMUPZELMJGBH-QUOYLOSXSA-N
rxn:1:62111:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,KOQDCVSTVAUMBN-UHFFFAOYSA-N
rxn:1:62114:30235,Cc1cc(C)cc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn2)CC3)c1,DYFZYQDWFJLDFD-UHFFFAOYSA-N
rxn:1:62116:29794,CCn1cc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)c(C)n1,FIPZZWVLJKOKNV-UHFFFAOYSA-N
rxn:1:62127:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BOLSGHOMPRVUEQ-UHFFFAOYSA-N
rxn:1:62136:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,RXBMSTHKMRXDTR-UHFFFAOYSA-N
rxn:1:63226:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cc(OC)c(Br)cc5Br)C4)nn2)CC3)cn1,BKFIOKGHRJRTMR-UHFFFAOYSA-N
rxn:1:64287:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(C(=O)O)cc5Br)C4)nn3)CC2)CC1,YDXQVYUDOKENKC-UHFFFAOYSA-N
rxn:1:64354:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)cc(OC(F)(F)F)cc5Br)C4)nn3)CC2)CC1,ICCYJKGTLSVJML-UHFFFAOYSA-N
rxn:1:64504:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)ccc4Cl)C3)nn1)CC2,XFCHMKKIRGQHSN-UHFFFAOYSA-N
rxn:1:64506:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)ccc4I)C3)nn1)CC2,ZPHGJEGVMUAFNA-UHFFFAOYSA-N
rxn:1:64507:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)ccc4O)C3)nn1)CC2,BAMDUGSQTYYKQR-UHFFFAOYSA-N
rxn:1:64792:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)cc4Br)C3)nn1)CC2,AXHXRRJTWQMFPS-UHFFFAOYSA-N
rxn:1:64945:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)c(Br)cn4)C3)nn1)CC2,TWDPZWDSJOAVIR-UHFFFAOYSA-N
rxn:1:65141:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Br)cc(C(=O)O)c4)C3)nn1)CC2,WWUHKIHLXRFPJI-UHFFFAOYSA-N
rxn:1:65509:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncc(B(O)O)cn4)C3)nn1)CC2,PXDGDISMPFJKIL-UHFFFAOYSA-N
rxn:1:65582:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(-c5ccncc5)s4)C3)nn1)CC2,YOBNKQCSZPVLTH-UHFFFAOYSA-N
rxn:1:65587:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(C5CC5)[nH]4)C3)nn1)CC2,HNALWOZIADYXPA-UHFFFAOYSA-N
rxn:1:39926:30890,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6coc(C)n6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,OUXZUQKZZLTMBV-UHFFFAOYSA-N
rxn:1:47757:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3cnc(C(=O)O)c(N)c3)nn1)CC2,BESKISOZQFVIOZ-UHFFFAOYSA-N
rxn:1:53260:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc5[nH]c6c(c5c4)CCCC6)nn3)CC2)CC1,KQPRYBJNAAIFJQ-UHFFFAOYSA-N
rxn:1:59415:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3C(CO)OC(n4cnc5c(N)ncnc54)C3F)nn1)CC2,JJVCOKLCYAHKDL-UHFFFAOYSA-N
rxn:1:59845:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn2)CC3)cn1,SNVQIFOJVHLOPS-JDZDGBONSA-N
rxn:1:60009:30200,CN1CC2(CCCN(C(=O)C3CCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,UTKIQRDWAGOAFW-XYFKDZRBSA-N
rxn:1:60413:30185,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCNC(=O)c6cccc(c6)OCCCn6nc(C)c(c6C)CN(Cc6ccc7cccnc7c6)CC5)nn4)c3)nc2c1,XSDNOWGEKGQXGL-UHFFFAOYSA-N
rxn:1:60413:30914,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)CC7CCOCC7)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,XUSBVKWTEDAGBO-UHFFFAOYSA-N
rxn:1:60430:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6ccc(Cl)cc6o5)c4)nn3)CC2)CC1,IQNRYQQPNVQYLT-UHFFFAOYSA-N
rxn:1:60456:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,DEQCXVKWOHBZGE-UHFFFAOYSA-N
rxn:1:60533:30922,COc1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,NCTKHDOSXPXVHF-UHFFFAOYSA-N
rxn:1:60554:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)C(=N)Sc5ccncc5)c4)nn3)CC2)CC1,BSNDPCJSWRKPHK-UHFFFAOYSA-N
rxn:1:60558:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)C(=N)Sc4nccn4C)nn3)CC2)CC1,FNGRMFOTPKRVTA-UHFFFAOYSA-N
rxn:1:61565:30460,Cc1nc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCCC2)co1,UVTVQHUOIULVFX-BXOPTTFCSA-N
rxn:1:61979:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccc(C(=O)N4CCCC(CN5CCCC5)C4)cc3)nn1)CC2,BQIRLOYCPUQFDK-UHFFFAOYSA-N
rxn:1:62110:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,YENMJXQXQIPZLE-UHFFFAOYSA-N
rxn:1:62111:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,MMXCUSZJYKUGQE-UHFFFAOYSA-N
rxn:1:62112:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VBCCTHRPWCSMKA-UHFFFAOYSA-N
rxn:1:62114:30321,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC7(CCN(Cc8ccn9ccnc9c8)CCCOc8ccccc8C(=O)NC7)CC6)nn5)CC4)cc3C2=O)C(=O)N1,AKCDCSNYSALTHC-UHFFFAOYSA-N
rxn:1:62114:30819,Cc1cccc(C(=O)N2CCCCn3nc(C)cc3C(=O)N(C)CC3(CCCN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)C3)CCC2)n1,CBPLFSUGIPSMOI-UHFFFAOYSA-N
rxn:1:62271:30635,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccc(F)cc2)CCC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)CC2)N1,KPDNGGAKJZUCOE-UHFFFAOYSA-N
rxn:1:62272:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,MDASZVUPNSFVSV-UHFFFAOYSA-N
rxn:1:62864:30922,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCC1,IHCQUTZCNUNYTR-UHFFFAOYSA-N
rxn:1:63290:30850,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Cl,JUZPESULQXEWSA-UHFFFAOYSA-N
rxn:1:63435:30613,Cc1cc(Br)c(C(=O)O)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,MEBWYCBPULDGLE-UHFFFAOYSA-N
rxn:1:64313:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)c(Br)cc4C(=O)O)C3)nn1)CC2,DMNCXONDZBCHAY-UHFFFAOYSA-N
rxn:1:64318:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(Br)cc4C(=O)O)C3)nn1)CC2,KZVVCYBQBNRDDF-UHFFFAOYSA-N
rxn:1:64540:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc([N+](=O)[O-])ccc4C(=O)O)C3)nn1)CC2,QHHCYPMTSUSMBD-UHFFFAOYSA-N
rxn:1:64595:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)CC1,UNBQCAZQLMKTIA-UHFFFAOYSA-N
rxn:1:64647:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5c(c4)N4CCN=C4S5)C3)nn1)CC2,QAAISCGRRBTBKQ-UHFFFAOYSA-N
rxn:1:64925:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C#N)cnn4-c4ccc(Br)cc4)C3)nn1)CC2,IXBCXTMPDBMEKB-UHFFFAOYSA-N
rxn:1:65064:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(Cl)nc6c(Br)cccc56)C4)nn3)CC2)CC1,CKZDCSCJLOIQJT-UHFFFAOYSA-N
rxn:1:65141:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Br)cc(C(=O)O)c5)C4)nn3)CC2)CC1,RTBWHIRNFIPKGQ-UHFFFAOYSA-N
rxn:1:65257:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-n6ccnc6)c5)C4)nn3)CC2)CC1,KMCFFZJPUWAQGY-UHFFFAOYSA-N
rxn:1:65468:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N5CCCCC5)nc(N)n4)C3)nn1)CC2,HXHCBSOXIYHKDM-UHFFFAOYSA-N
rxn:1:39926:30613,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,ZLCFZNKDXSBNMO-UHFFFAOYSA-N
rxn:1:43879:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,VMTIFGPBUXRDEK-CDBBDQOESA-N
rxn:1:44403:30026,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cnccn6)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,RTRPSRANSVYRMJ-GEPBJKRPSA-N
rxn:1:47945:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(S(N)(=O)=O)c(Cl)c3)nn1)CC2,PHACBRNWEQNFNX-UHFFFAOYSA-N
rxn:1:48546:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccnc(N)c3)nn1)CC2,HKRPTUQFPSYQFB-UHFFFAOYSA-N
rxn:1:59558:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(=O)c4ccc(F)cc4F)nn3)CC2)CC1,DLSJVWXWYAYKSG-UHFFFAOYSA-N
rxn:1:60009:30132,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)c3cnccn3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,OGNSAWJMVKQUCM-QCPZILSYSA-N
rxn:1:60009:30195,COc1ccc(CN2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,DDPLGFXCIIDUGV-ALKIKZFASA-N
rxn:1:60009:30197,Cc1nn2c(C)c1CN(C(=O)c1c(F)cccc1F)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,MNOALUXKQXGBCK-UTVRUGRBSA-N
rxn:1:60009:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FAGBKMIMMFSWQU-ALKIKZFASA-N
rxn:1:60009:30924,Cc1cc2n(n1)CCCCN(C(=O)c1ncoc1C)CCCC1(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C1)CN(C)C2=O,GNYMRCURNOSOCT-WJUBLZQXSA-N
rxn:1:60552:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,WQVUATIDNGPJKW-UHFFFAOYSA-N
rxn:1:61500:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCOCC5)s4)nn3)CC2)CC1,HAOWTMWVHMYEJJ-UHFFFAOYSA-N
rxn:1:61565:30635,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccc(F)cc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,QCDDXKPZNDODIA-JWOCURBZSA-N
rxn:1:61636:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,BMIBKAUWEWSBSC-VQALGTGMSA-N
rxn:1:62102:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XMQIHMWIAZFAMH-UHFFFAOYSA-N
rxn:1:62106:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,WLWMIXBACXBEIX-UHFFFAOYSA-N
rxn:1:62112:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,KOWAIGSGJXDZIF-UHFFFAOYSA-N
rxn:1:62113:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KVVMIIWGJVAKMU-UHFFFAOYSA-N
rxn:1:62114:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,AVVKJGLQTJICDA-UHFFFAOYSA-N
rxn:1:62115:29928,Cc1cc2c(cc1CN1CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C1)OCO2,IHJSZCBAUIQOCS-UHFFFAOYSA-N
rxn:1:62116:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IJOTXALKPCFCJS-UHFFFAOYSA-N
rxn:1:62368:30629,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(-n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cnccn8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)c4s3)CC2)O1,NTQRIRYECAQFJS-YTTGMZPUSA-N
rxn:1:62582:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCCCC4Oc4c(C=O)c(C)nn4C4CCCCO4)nn3)CC2)CC1,FKLKKZLCKJFBAY-UHFFFAOYSA-N
rxn:1:63210:30850,COc1cc(Br)c(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,WFTRJFMNWXYEKR-UHFFFAOYSA-N
rxn:1:63307:30850,COc1cnc(Cl)nc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,FCTBZDBSWMSILV-UHFFFAOYSA-N
rxn:1:63446:30629,Cc1cc([N+](=O)[O-])c(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,VGCBLDLBLDSVIV-UHFFFAOYSA-N
rxn:1:63910:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-c6nncn6C)c5)C4)nn3)CC2)CC1,NKBDMDQAONRPHQ-UHFFFAOYSA-N
rxn:1:64595:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,SVLHRKFFFDVBSF-UHFFFAOYSA-N
rxn:1:64608:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)c(F)c4)C3)nn1)CC2,BRYDSOORGGAAKR-UHFFFAOYSA-N
rxn:1:64613:30723,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)c(F)c5)C4)nn3)CC2)N1,AUTASXQMZIQHAH-UHFFFAOYSA-N
rxn:1:65224:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6nsnc6c5)C4)nn3)CC2)CC1,WENGTQFLXKMCQA-UHFFFAOYSA-N
rxn:1:65257:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-n6ccnc6)c5)C4)nn3)CC2)CC1,QGDAQRBAAFKNSO-UHFFFAOYSA-N
rxn:1:65436:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nccc(-c6cccnc6)n5)C4)nn3)CC2)CC1,CPMDOXQYLNAMLP-UHFFFAOYSA-N
rxn:1:65450:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc6c(s5)CCCC6)C4)nn3)CC2)CC1,DNWZXNUNTUHWLO-UHFFFAOYSA-N
rxn:1:39926:30921,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,NFGPOSITWOREDJ-UHFFFAOYSA-N
rxn:1:43879:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,AXYSPCSVLZACGA-CDBBDQOESA-N
rxn:1:44403:30907,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC(C7CCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,UDLSGTDHNCWZSD-CWUHPDDMSA-N
rxn:1:48973:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cccc4[nH]ccc34)nn1)CC2,HZTUFNIKIIEIKC-UHFFFAOYSA-N
rxn:1:49002:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5nc(N)sc5c4)nn3)CC2)CC1,QALHHLICBBRKOD-UHFFFAOYSA-N
rxn:1:50000:30868,Cc1cc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)cc(C)n1,KADUXHHTHGPWTD-UHFFFAOYSA-N
rxn:1:60009:29924,Cc1noc(C)c1CN1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CNC(=O)c2ccccc2OCC2(CC2)C1,UQHXJTADLHYIGB-YQZOKAAQSA-N
rxn:1:60009:30243,CN1CC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CCN(C(=O)C2(c3ccccc3F)CC2)CCCn2nc(ccc2=O)C1=O,XUZMRXIGCNDCPA-WVUVGWLZSA-N
rxn:1:60009:30494,COc1cncc(CN2CCCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)c1,RCYABDALNWGEJA-ALKIKZFASA-N
rxn:1:60009:30681,Cc1cc2n(n1)CCCCN(C(=O)c1cccnc1)CCCC1(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C1)CN(C)C2=O,MZLFXRQMEBXCCV-CPPLMDTMSA-N
rxn:1:60009:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,IFKYXIWBOUMLKH-ALKIKZFASA-N
rxn:1:60009:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,FKCCEKHYOKHLDT-YGENRYQBSA-N
rxn:1:60143:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCO[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn1)CC2,NSLKDGOMDJDHCW-UJWZESCRSA-N
rxn:1:60454:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(Cl)cc([N+](=O)[O-])c5o4)nn3)CC2)CC1,NPLRVSDPOWQFQC-UHFFFAOYSA-N
rxn:1:61565:29833,Cc1cc2c(cc1CN1CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCCC1)OCO2,STEOYMXOQLECCM-YTGSZGPRSA-N
rxn:1:61761:30907,CC(=O)N(C1=C(n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)C(=O)c2ccccc2C1=O)c1ccccc1,JTZISMZTACFXDH-UHFFFAOYSA-N
rxn:1:62115:30194,Cc1ccc(F)c(CN2CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)c1,CURQKSPZSRYKSY-UHFFFAOYSA-N
rxn:1:62115:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,GUNMAWDLCAELSJ-UHFFFAOYSA-N
rxn:1:62115:30692,CN1CC2(CCCN(C(=O)c3ccccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,MSJQZFZQQRODBM-UHFFFAOYSA-N
rxn:1:63449:30620,Cc1c(N)cc(C(=O)O)cc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,DHVPEENXGMKFTK-UHFFFAOYSA-N
rxn:1:63637:30629,Cc1nc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)cc1Br,SPGPLKZGTIFHGE-UHFFFAOYSA-N
rxn:1:64324:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cccc4C(=O)O)C3)nn1)CC2,HUMOFPJOJWFLPX-UHFFFAOYSA-N
rxn:1:64613:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)c(F)c4)C3)nn1)CC2,ZAFOHMANDKSWIE-UHFFFAOYSA-N
rxn:1:64669:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-c5nnn[nH]5)cc4)C3)nn1)CC2,LTKWFPURMCCLQH-UHFFFAOYSA-N
rxn:1:64687:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6=O)cc5)C4)nn3)CC2)N1,LEIQMTOGCOSNNU-UHFFFAOYSA-N
rxn:1:64840:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(OC(F)(F)F)cc5N)C4)nn3)CC2)CC1,FZSWOJRMQMBXTE-UHFFFAOYSA-N
rxn:1:64859:30181,Cc1nn2c(C)c1CN(Cc1ccnc3ccccc13)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,GOJWXEDCOHOHKJ-UHFFFAOYSA-N
rxn:1:64859:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CC2,LKBMPQXZCPKPSO-UHFFFAOYSA-N
rxn:1:64931:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(Cl)ccc5C(=O)O)C4)nn3)CC2)CC1,HRBUIZRQZXPVSR-UHFFFAOYSA-N
rxn:1:65067:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc6cccnc6c6ncccc56)C4)nn3)CC2)CC1,IADHPCQZBTWFOY-UHFFFAOYSA-N
rxn:1:65254:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-c6cc[nH]n6)c5)C4)nn3)CC2)CC1,HWPVIOBJBVFEOX-UHFFFAOYSA-N
rxn:1:65309:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(Cn6cncn6)c5)C4)nn3)CC2)CC1,JLKYWVGEHAYTAM-UHFFFAOYSA-N
rxn:1:65332:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(N6CCOCC6)c5)C4)nn3)CC2)N1,AAORJVFMLPEECA-UHFFFAOYSA-N
rxn:1:65575:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(-c6ccccc6Cl)[nH]5)C4)nn3)CC2)CC1,AVRNHBAYZRMVPN-UHFFFAOYSA-N
rxn:1:65575:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(-c6ccccc6Cl)[nH]5)C4)nn3)CC2)CC1,YLWBYQUJLIFUMP-UHFFFAOYSA-N
rxn:1:39926:29892,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CC[C@H]5C[C@@H]4C(=O)NCCCN(C4CCN(c6ncccn6)CC4)CCOc4ccccc45)nn3)c12,JSENMOADUBYRGU-LUPQGNFSSA-N
rxn:1:39926:29906,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(Cc6ccc7nccnc7c6)CCCn6cc(cn6)C(=O)N(C)C5)CC4)nn3)c12,FUYMNVAMSQSUNE-UHFFFAOYSA-N
rxn:1:39926:30164,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CC[C@@H]5C[C@H]4C(=O)NCCCN(C(=O)c4cncnc4C)CCCOc4ccc(C6CC6)cc45)nn3)c12,GCUYANWPAIIPQY-KLFBTDGFSA-N
rxn:1:44403:30460,Cc1nc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCCC2)co1,UVTVQHUOIULVFX-AKQQMJKASA-N
rxn:1:47804:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccccc3S(N)(=O)=O)nn1)CC2,KZXMIDDTGBHZEI-UHFFFAOYSA-N
rxn:1:49290:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(C[C@H]4CN(c5ccc(N6CCOCC6)c(F)c5)C(=O)O4)nn3)CC2)N1,ZJKABPKUARYOAV-ZTPFDXHGSA-N
rxn:1:60009:28994,Cc1sc2nc(SCc3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)nc(-n3[se]c4nccnc4c3=O)c2c1C,GCHXOERCEHCNMF-OWHBQTKESA-N
rxn:1:60009:30165,Cc1ncncc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)c2cc(C3CC3)ccc2OCC1,KJYDPNZNCLRHSJ-PULJDYTHSA-N
rxn:1:60009:30250,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,LSIJZTBXAISADK-WVUVGWLZSA-N
rxn:1:60009:30529,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ncoc1C)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,YYLDAHHEMPHDJC-KWDKOVGYSA-N
rxn:1:60009:30625,CN1CC2(CCCN(C(=O)c3cnccn3)CCOCCOc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FBWMTTXEARBDMJ-SIEKYESCSA-N
rxn:1:60009:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,MOKOGBVYBBPQGB-ALKIKZFASA-N
rxn:1:60009:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,YZWAYZJXAQNLAW-JFDROPRKSA-N
rxn:1:60514:30881,Cc1cc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2cc1Br,PAUVCEJPJBPAEF-UHFFFAOYSA-N
rxn:1:60552:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,QFBSFHAINGEHJK-UHFFFAOYSA-N
rxn:1:60559:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nccn4C)c3)nn1)CC2,VMILRKKRTAOTDK-UHFFFAOYSA-N
rxn:1:60561:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4cccc(C(F)(F)C(=N)Sc5ncccn5)c4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,APZSPILJGKBXGT-UHFFFAOYSA-N
rxn:1:61714:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)CC2,OEELMQWXPFCAEA-UIWMLGLESA-N
rxn:1:62106:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,OPFDDMBUNNAGHE-UHFFFAOYSA-N
rxn:1:62107:30738,CN1CC2(CCCN(C(=O)c3cn(CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCCn2nccc2C1=O,PBWLLAIAGGOGIU-UHFFFAOYSA-N
rxn:1:62110:30907,CN(CCn1cc(C(=O)N2CCC(C3CCN(C(=O)c4cncc(F)c4)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1)c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O,WXVUYUSBKSTPFC-UHFFFAOYSA-N
rxn:1:62113:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WQFAEAOBSMIOMX-UHFFFAOYSA-N
rxn:1:62115:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,JCTGOXFIDQJYAN-UHFFFAOYSA-N
rxn:1:62116:30126,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cscn6)CCCOc6ccc(C8CC8)cc67)nn5)C4)cc3C2=O)C(=O)N1,ZQNYNGHSMKMNCC-INPSVIDHSA-N
rxn:1:62117:24489,CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,ACXFXVQDZMQFPJ-UHFFFAOYSA-N
rxn:1:62136:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4C4OC(CO)C(O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,FCPZIQMGPDUTFU-UHFFFAOYSA-N
rxn:1:62249:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)nn1)CC2,XWZPZMXCMLYGMJ-QPDOHZRUSA-N
rxn:1:62257:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn2)CC3)cn1,SNVQIFOJVHLOPS-YTPGTJBYSA-N
rxn:1:62582:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCCCC4Oc4c(C=O)c(C)nn4C4CCCCO4)nn3)CC2)CC1,IWZKCTGYQAGWRG-UHFFFAOYSA-N
rxn:1:62660:30629,Cc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)n2)cc1,OOCSARDUMSSMDN-UHFFFAOYSA-N
rxn:1:62845:30635,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccc(F)cc2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(C6CCCO6)o5)C4)nn3)CC2)N1,KOWOLNVKUBHLCA-UHFFFAOYSA-N
rxn:1:63081:30791,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccccc7F)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)nc2)CC1,PSRKGHIITRLMGG-UHFFFAOYSA-N
rxn:1:63481:30613,COc1cc(Cl)c(C)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,LUANXZACCHPZHO-UHFFFAOYSA-N
rxn:1:64599:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)c(Cl)c4)C3)nn1)CC2,JSTMFGFZFRETPX-UHFFFAOYSA-N
rxn:1:64858:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6ncccc6c5C#N)C4)nn3)CC2)CC1,PGRUYDQQOIBOIQ-UHFFFAOYSA-N
rxn:1:64859:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,OURDZOHDNGNJET-UHFFFAOYSA-N
rxn:1:65058:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5[nH]cc(I)c45)C3)nn1)CC2,VRVQBKACJWJGAO-UHFFFAOYSA-N
rxn:1:65572:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(-c6ccc(Cl)cc6)o5)C4)nn3)CC2)CC1,FHYGAUARCSFFHG-UHFFFAOYSA-N
rxn:1:39926:30172,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CC[C@@H]5C[C@H]4C(=O)NCCCN(C(=O)c4ncoc4C)CCCOc4ccc(C6CC6)cc45)nn3)c12,VAOKRTFMNFWFQV-ZADIWHOSSA-N
rxn:1:41043:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC=Cc4cc(Cl)ccc4CC(=O)O)nn2)CC3)cn1,XCLQXECCKUVPBQ-UHFFFAOYSA-N
rxn:1:43879:30170,CN1CCCN(C(=O)c2cncc(F)c2)CCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)C2)C1=O,QOMYVGINEYITNR-FBTOOCGRSA-N
rxn:1:43879:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CCNC(=O)c1cccc(c1)OCCC2,UBOPSWKJDGBPAJ-DIFSGLEJSA-N
rxn:1:44403:30398,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccnn8C)CCCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DKWMIIDOAXOPIT-ZQOGUPQBSA-N
rxn:1:44403:30749,CC(=O)N1CCCC2(CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,UGQBDIMWNLFTKG-HAIHJNTOSA-N
rxn:1:47959:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3C[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)nn1)CC2,MQBZDSRVYTXBON-SREOESSPSA-N
rxn:1:49121:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5nc(Cl)ccc5c4)nn3)CC2)CC1,JTZBZLAOVNPROU-UHFFFAOYSA-N
rxn:1:50023:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccc(C(=O)NC[C@H]4OC(O)[C@H](O)[C@@H](O)[C@@H]4O)c(O)c3)nn1)CC2,CMANLQKHUNPWHZ-VNKLDLLASA-N
rxn:1:59697:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@@]34CO[C@@H]([C@H](n5ccc(=O)[nH]c5=O)O3)[C@@H]4O)nn1)CC2,IVSSFQFCYJHBGG-ZRFFNJIASA-N
rxn:1:60009:30142,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)c3cccnc3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,ZZFWGDJSGFEFRQ-LZWLHYGRSA-N
rxn:1:60009:30481,CCn1nccc1CN1CCCn2nc(C)cc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,GATOOSWYXZNVPK-XYFKDZRBSA-N
rxn:1:60009:30508,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1cnccn1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,JVNPBHUAVKXARB-PEKCXUPYSA-N
rxn:1:60451:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ccccc4C(F)(F)c4nc5cc(S(=O)(=O)O)ccc5o4)nn2)CC3)cn1,MGGBSXWGQJKAKY-UHFFFAOYSA-N
rxn:1:60514:30868,Cc1cc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2cc1Br,FSHZQTLNDFIXCV-UHFFFAOYSA-N
rxn:1:61251:30922,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,DJIKYAHHEPLVKY-HAMGJEGRSA-N
rxn:1:61565:29858,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6cncc(F)c6)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,XZMBVKOCXHWFON-FMBBFNHBSA-N
rxn:1:61565:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,ZIMGPFQBQFXPOU-DRYROETJSA-N
rxn:1:61714:30418,O=C1NCC2(CCCN(C(=O)c3ccc(F)c(F)c3)CCCOc3ccccc31)CN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)CCO2,MJRAAIBWLNQISA-WMZFZGGUSA-N
rxn:1:61714:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,RYMMHIVIAYDWSW-RORKFMLOSA-N
rxn:1:62108:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,QYLMVTHDADFUFS-UHFFFAOYSA-N
rxn:1:62112:30907,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,MKRUPSMPZUGLDX-UHFFFAOYSA-N
rxn:1:62128:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCOc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nn1)CC2,CBHBONJUYLLNAL-UHFFFAOYSA-N
rxn:1:62130:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CN(c5ccc(N6CCOCC6)c(F)c5)C(=O)O4)nn3)CC2)N1,ZJKABPKUARYOAV-UHFFFAOYSA-N
rxn:1:62838:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3O)nn1)CC2,DYQDGCWHSMPOBC-UHUOBPGLSA-N
rxn:1:63081:30189,CCn1ccnc1CN1CCN(C(=O)c2cn(CC3CC(=O)N(c4ccc(N5CCN(C)CC5)cn4)C3)nn2)CCNC(=O)c2cccc(c2)OCCCn2nc(C)c(c2C)C1,PTTFOCGTBNYXOK-UHFFFAOYSA-N
rxn:1:63207:30922,COCc1nnc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)s1,DRRVTLYFEJCEFM-UHFFFAOYSA-N
rxn:1:64330:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C(=O)O)ccc(F)c5F)C4)nn3)CC2)CC1,VWUDACKVUYSUHA-UHFFFAOYSA-N
rxn:1:64367:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)ccc(Br)c4F)C3)nn1)CC2,LNYSGMOBEXQQPP-UHFFFAOYSA-N
rxn:1:64435:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)cc(Br)cc5OC(F)(F)F)C4)nn3)CC2)CC1,XAFMALAUESTAHR-UHFFFAOYSA-N
rxn:1:64575:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCCC5)c(C#N)c4)C3)nn1)CC2,STBRRDBBHBJRGK-UHFFFAOYSA-N
rxn:1:64583:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(Cl)c(C(=O)O)c4)C3)nn1)CC2,FVCFMPPDDPLAED-UHFFFAOYSA-N
rxn:1:64687:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5=O)cc4)C3)nn1)CC2,AUCQZCOJCGMIHV-UHFFFAOYSA-N
rxn:1:64716:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)nc4)C3)nn1)CC2,PUUZHDRVAOWPJN-UHFFFAOYSA-N
rxn:1:65064:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(Cl)nc6c(Br)cccc56)C4)nn3)CC2)CC1,YTEYUJFQZRQENO-UHFFFAOYSA-N
rxn:1:65441:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(C#N)c(C#N)[nH]4)C3)nn1)CC2,WDICRDXKFOBPSP-UHFFFAOYSA-N
rxn:1:39926:30167,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CC[C@@H]5C[C@H]4C(=O)NCCCN(C(=O)c4coc(C)n4)CCCOc4ccc(C6CC6)cc45)nn3)c12,MSPXLXYOMTXGFO-IIZRLQMASA-N
rxn:1:43879:30668,Nc1ncnc2c1ncn2[C@@H]1O[C@@](CI)(n2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccncc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)[C@@H](O)[C@H]1O,QAVMGBBMFAYLEW-YZJQNVTBSA-N
rxn:1:43879:30690,Nc1ncnc2c1ncn2[C@@H]1O[C@@](CI)(n2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)[C@@H](O)[C@H]1O,OTPLHZMZDZMRFL-XLTKLJDSSA-N
rxn:1:43879:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)CC2)CC1,HDKPZWGDEHDYQJ-JBULLMGOSA-N
rxn:1:47989:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3cnc(-n4ccnc4)nc3)nn1)CC2,VEERYWPJAUGSNU-UHFFFAOYSA-N
rxn:1:48495:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cnn(C)c3)nn1)CC2,MFQCZMVAYSXDRC-UHFFFAOYSA-N
rxn:1:51503:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc6c(O)c(C(=O)O)cnc6c5)C4(F)F)nn3)CC2)CC1,RBQNHWPJBXXCOE-UHFFFAOYSA-N
rxn:1:60009:29904,CN1CC2(CCCN(Cc3ccc4ncccc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,YWGHIOSRHRJEKX-ALKIKZFASA-N
rxn:1:60009:30235,Cc1cc(C)cc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)c1,PNCWGUDAHPJAJJ-YQZOKAAQSA-N
rxn:1:60009:30737,Cc1cc2n(n1)CCCN(C(=O)C1CCCCC1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)CCO1,GNJUCWXMIGDDIP-QGPKYJIGSA-N
rxn:1:60224:24489,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccccc6F)C6=C5C(=O)CC(C)(C)C6)c5ccccc53)nn2)CC4)cn1,YNVVPIRIBRLAOR-UHFFFAOYSA-N
rxn:1:60273:30620,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N,XISQOCMNRPXXFK-UHFFFAOYSA-N
rxn:1:60487:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(F)ccc5n4C)nn3)CC2)CC1,MHNKPWCMMHLXMQ-UHFFFAOYSA-N
rxn:1:60629:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@@H](N5)C(O)[C@H]4O)[C@H](O)C3O)nn1)CC2,RTQCEOBOYKXVQL-KMCOHDRPSA-N
rxn:1:61636:30939,Cc1cc2n(n1)CCCN(C(=O)C1CC(F)(F)C1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn2)CCO1,SHGKUMAMOYZYAJ-HUMGSSATSA-N
rxn:1:62102:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,FGZXRWNCEPKGEC-UHFFFAOYSA-N
rxn:1:62105:30386,Cc1noc(C)c1CN1CCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IWSKFZKLYVEUGE-UHFFFAOYSA-N
rxn:1:62105:30529,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ncoc1C)CCCC1(CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,UFLYVMMYTLNUSO-UHFFFAOYSA-N
rxn:1:62113:24445,CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,JIYSDCBFUUIIJR-UHFFFAOYSA-N
rxn:1:62113:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XLAQQPURVZVVQV-UHFFFAOYSA-N
rxn:1:62115:24425,N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,NERJFVKLJZLCOB-UHFFFAOYSA-N
rxn:1:62123:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CBFBWFRMUUFQSD-UHFFFAOYSA-N
rxn:1:62123:30734,O=C1CCC(N2C(=O)c3cccc(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)c3C2=O)C(=O)N1,OAXSKXVOZNRZHB-UHFFFAOYSA-N
rxn:1:63081:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)CC2)CC1,UNJRHEHIBGTXBG-UHFFFAOYSA-N
rxn:1:63085:30629,CN1CCC(CN2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)CC1,BSRDGFVMKVGWDF-UHFFFAOYSA-N
rxn:1:63215:30629,COc1cc(F)c([N+](=O)[O-])cc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,POSZXERQBPDNPZ-UHFFFAOYSA-N
rxn:1:63243:30850,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1C(F)(F)F,TXGWGDJBXQEXEY-UHFFFAOYSA-N
rxn:1:63579:30613,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)n(-c2ccc(F)cc2)n1,KYYFUEMISDJOGX-UHFFFAOYSA-N
rxn:1:64508:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Cl)ccc5-c5nnn[nH]5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,BINFIXWUPQCMFV-UHFFFAOYSA-N
rxn:1:64554:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)cc5CO)C4)nn3)CC2)CC1,PSCLRPMNMUXPBF-UHFFFAOYSA-N
rxn:1:64705:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)nn1)CC2,JDZRKVLVLPISEK-UHFFFAOYSA-N
rxn:1:64734:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)cn5)C4)nn3)CC2)N1,SMKSIKHHFJZXLK-UHFFFAOYSA-N
rxn:1:64891:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(C#N)c4Br)C3)nn1)CC2,LQTVUGMZCWRZGN-UHFFFAOYSA-N
rxn:1:64925:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C#N)cnn4-c4ccc(Br)cc4)C3)nn1)CC2,NJVMOIGOYLMQPV-UHFFFAOYSA-N
rxn:1:64980:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncc(C(=O)O)cc4Br)C3)nn1)CC2,LOLZBWCXVJDISP-UHFFFAOYSA-N
rxn:1:65364:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccnc4C(=O)O)C3)nn1)CC2,IQUKAXOPPQBOSW-UHFFFAOYSA-N
rxn:1:65561:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5[nH]nnc45)C3)nn1)CC2,LWSNPYNCYBRSFS-UHFFFAOYSA-N
rxn:1:39926:30132,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CC[C@@H]5C[C@H]4C(=O)NCCCN(C(=O)c4cnccn4)CCCOc4ccc(C6CC6)cc45)nn3)c12,VCTKDNGPFVZNBM-IIZRLQMASA-N
rxn:1:43879:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,HDDFVKVKBUPRKQ-CDBBDQOESA-N
rxn:1:44139:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3C[C@@H](n4ccc(=O)[nH]c4=O)O[C@H]3CO)nn1)CC2,MQBZDSRVYTXBON-JDRLYAORSA-N
rxn:1:60009:29928,Cc1cc2c(cc1CN1CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C1)OCO2,RDZOALAPVGLXAB-UTVRUGRBSA-N
rxn:1:60009:30155,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)C3CCC3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,PPFAOTOCTJITCZ-FUEWDOBXSA-N
rxn:1:60009:30545,Cc1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CN(C)C(=O)c3cc(C)nn3CC3(CC3)C2)n1,ZCVJYUIYWZYZBB-WVUVGWLZSA-N
rxn:1:60403:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4ccc([N+](=O)[O-])cc4o3)nn1)CC2,KBQCNCANJASWRZ-UHFFFAOYSA-N
rxn:1:60474:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)nn1)CC2,UIWTWKOVQJVEQT-UHFFFAOYSA-N
rxn:1:60534:30613,COc1ccc2[nH]c(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7scnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,YUDZLEYVCNTGNF-UHFFFAOYSA-N
rxn:1:60552:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,ISOIMBVTLHONNN-UHFFFAOYSA-N
rxn:1:61537:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC(=O)N4CCC5(CC4)N(C)C(=O)CS5(=O)=O)nn2)CC3)cn1,JKAAQUFCWZWWOG-UHFFFAOYSA-N
rxn:1:61565:29859,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6ncccc6F)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,JWTUECPQJXSZGY-QQWAGVRPSA-N
rxn:1:61636:30680,CN1CC2(CCCN(C(=O)c3cccnc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,HTYNLGUILBDUFG-XUWULSGGSA-N
rxn:1:61890:30647,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccnn6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,LTQSCSSHBLAKOB-FPRBQUIYSA-N
rxn:1:62052:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,IZNPZBYFJLZEKO-UHFFFAOYSA-N
rxn:1:62105:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SQPIYRFWKTVYTH-UHFFFAOYSA-N
rxn:1:62107:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HRIKEWIUYFZLGG-UHFFFAOYSA-N
rxn:1:62111:30723,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC4)cc3C2=O)C(=O)N1,BCRWYEHAOWJHEK-UHFFFAOYSA-N
rxn:1:62115:24565,N#CC1=C(N)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,YZKRIJQVCUXMOC-UHFFFAOYSA-N
rxn:1:62115:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,DDRLGLVOFXNCLF-UHFFFAOYSA-N
rxn:1:62116:30293,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC7CC6c6ccccc6OCCN(Cc6ccc8nccnc8c6)CCCNC7=O)nn5)C4)cc3C2=O)C(=O)N1,GTGDELAVKSXQHU-UHFFFAOYSA-N
rxn:1:62116:30752,CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,GNZSSJDDEPSZBQ-UHFFFAOYSA-N
rxn:1:62335:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CN(C(=O)OC(C)(C)C)C4(CCS(=O)(=O)CC4)C3)nn1)CC2,KMMCYYQFHAYXSM-UHFFFAOYSA-N
rxn:1:62360:30881,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)ccc1-2,DUMPZPTTWCCSMT-UHFFFAOYSA-N
rxn:1:63081:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCN(C)CC5)cn4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,HHAFSBPNYCLESG-UHFFFAOYSA-N
rxn:1:63371:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(C4CCN(S(C)(=O)=O)CC4)C3)nn1)CC2,QWVCFXRGOOAYIU-UHFFFAOYSA-N
rxn:1:63543:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)CN5CCCCC5)cc4)nn3)CC2)CC1,UQIVNPPUJBHQOT-UHFFFAOYSA-N
rxn:1:63921:30735,CSc1nc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)nn1C,KEYLOFYDKKWQSF-UHFFFAOYSA-N
rxn:1:64215:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(Cc5ccc6nccnc6c5)C4)nn3)CC2)CC1,KUOGTCNMCKHTMI-UHFFFAOYSA-N
rxn:1:64309:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(F)ccc(Br)c5C(=O)O)C4)nn3)CC2)CC1,JVKCWKCGSPFANJ-UHFFFAOYSA-N
rxn:1:64328:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(I)cccc4C(=O)O)C3)nn1)CC2,ANBBMJNJTXMUEL-UHFFFAOYSA-N
rxn:1:64435:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)cc(Br)cc5OC(F)(F)F)C4)nn3)CC2)CC1,UMUPWOPLLTYAEQ-UHFFFAOYSA-N
rxn:1:64491:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Br)ccc5C(=O)O)C4)nn3)CC2)CC1,LMNWDMGLXAGWIK-UHFFFAOYSA-N
rxn:1:64577:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C3)nn1)CC2,VWHHTMVLLSKXTA-UHFFFAOYSA-N
rxn:1:64674:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)cc4)C3)nn1)CC2,NXEZTYVBXMJKDW-UHFFFAOYSA-N
rxn:1:64689:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCCC6)cc5)C4)nn3)CC2)CC1,UFGWQKJNBBSQBA-UHFFFAOYSA-N
rxn:1:64865:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5ccccc5-n5cnnn5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,MZJMPVMBCSTLKR-UHFFFAOYSA-N
rxn:1:39926:30647,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccnn6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,ROOUIGRKZVSHJP-UHFFFAOYSA-N
rxn:1:42832:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC#Cc4ccc5nc(Cl)sc5c4)nn3)CC2)CC1,SBNDFLAAGFJYLY-UHFFFAOYSA-N
rxn:1:43879:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,PXRGFPYPJSHCHE-CDBBDQOESA-N
rxn:1:43967:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3C[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O)nn1)CC2,ITBIORRPKXARCW-SREOESSPSA-N
rxn:1:50700:30620,Cc1cc(C2C(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C2(F)F)ccc1C(=O)O,BMVSIRCBMYYHKV-UHFFFAOYSA-N
rxn:1:52965:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc(F)c(C(=O)O)c4F)nn3)CC2)CC1,BIISPRKOSPHIBR-UHFFFAOYSA-N
rxn:1:58140:4804,Cc1cc(-n2cc(COC(=O)c3c(N)sc4c3C(C)CCC4)nn2)nc(Cl)c1C#N,AZSGOQWXJLWLCQ-UHFFFAOYSA-N
rxn:1:60009:29548,CC(C)S(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CCC2(O)c1cn(C[C@H]2NC(=O)Cc3ccccc3CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)nn1,BQQXIGMCPBTXNF-BDOVPLJVSA-N
rxn:1:60009:30056,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)C5CCOCC5)CCCc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,BHUXYCZUTPREOE-WVUVGWLZSA-N
rxn:1:60009:30159,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)c3cccnn3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,KNJMXLLBJZEWEA-GQQXQQMZSA-N
rxn:1:60203:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn1)CC2,OSVWINFGQFRUNR-UHFFFAOYSA-N
rxn:1:60536:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc([N+](=O)[O-])ccc5n4C)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ZFIVVRHVERFLGE-UHFFFAOYSA-N
rxn:1:60553:30628,N=C(Sc1ccncc1)C(F)(F)c1ccccc1-n1cc(C(=O)N2CCC(C3CCN(C(=O)c4cnccn4)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1,YSTXQKIWXFLNEN-UHFFFAOYSA-N
rxn:1:60597:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5ccc(Nc6nc(-c7ccncc7)nc7ccccc67)cc5)nn4)CC3)CC2)co1,OPBPEPYLSQSFTQ-UHFFFAOYSA-N
rxn:1:60643:30735,CCn1cc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C2)nc1C,CRGSPAZWGIFQQI-UHFFFAOYSA-N
rxn:1:61732:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4CN(c5ccc(N6CCOCC6)c(F)c5)C(=O)O4)nn3)CC2)CC1,AKICHACYYPXKJC-PTYUOYDSSA-N
rxn:1:61892:30629,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCC1,BBSBWWNHLVXHNM-CGUXBRGKSA-N
rxn:1:61923:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(O)C(O)C(CO)OC3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,BUEHFTNIYFLHSZ-UHFFFAOYSA-N
rxn:1:62032:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nn1)CC2,AGLWOYOUKGUCIS-UHFFFAOYSA-N
rxn:1:62110:30723,CN(CCn1cc(C(=O)N2CCC(C3CCN(C(=O)C4CCCC4)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1)c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O,YBHOIKVUTUIBOT-UHFFFAOYSA-N
rxn:1:62111:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,WYEQIJMJJAPFLC-UHFFFAOYSA-N
rxn:1:62113:30907,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,OHTGFMZCPBUVSH-UHFFFAOYSA-N
rxn:1:62114:30484,COc1ccc(CN2CCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn2)CC3)cn1,LTFHPWQOCQLXLD-UHFFFAOYSA-N
rxn:1:62115:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,UNRNXDAQBJXAKT-UHFFFAOYSA-N
rxn:1:62272:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,LRVPYOICWCIORL-UHFFFAOYSA-N
rxn:1:63165:30629,COC(=O)c1nc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,ZZSGQCFCIFXRFP-UHFFFAOYSA-N
rxn:1:63404:30628,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)c(C)c1Br,LOKAIEVZCFOWBR-UHFFFAOYSA-N
rxn:1:63634:30850,Cc1nc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ncc1Br,ZJUDEPKACJBCGU-UHFFFAOYSA-N
rxn:1:63653:30620,Cc1ncc(C#N)c(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,GHCGZVYVZILVTP-UHFFFAOYSA-N
rxn:1:64327:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(F)cccc4C(=O)O)C3)nn1)CC2,JKTUVRPGVAFKCC-UHFFFAOYSA-N
rxn:1:64508:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cc(Cl)ccc5-c5nnn[nH]5)C4)nn2)CC3)cn1,INNSDIPNEVXUJD-UHFFFAOYSA-N
rxn:1:64569:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc([N+](=O)[O-])c(Br)c5)C4)nn3)CC2)CC1,AQHOUPBUXDFCBF-UHFFFAOYSA-N
rxn:1:64733:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCC6)cn5)C4)nn3)CC2)CC1,RUWLRILQVRUJAH-UHFFFAOYSA-N
rxn:1:65207:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N6CCOCC6)ncn5)C4)nn3)CC2)N1,CEGFXVPLSDWXLT-UHFFFAOYSA-N
rxn:1:65227:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)c(F)c4F)C3)nn1)CC2,DNSBRLLDZMATIK-UHFFFAOYSA-N
rxn:1:39926:30183,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCNC(=O)c5cccc(c5)OCCCn5nc(C)c(c5C)CN(Cc5ccc6nccnc6c5)CC4)nn3)c12,PJECJEISUYTAEF-UHFFFAOYSA-N
rxn:1:40704:31130,C[C@@]1(O)CCC[C@H]1n1c(=O)c(-c2cn(CC=Cc3ccnc4ccccc34)nn2)cc2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc21,OZYRMMGPUHNVKJ-KAODMTDESA-N
rxn:1:42392:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC#Cc4cc(F)c(Cl)c(F)c4)nn3)CC2)CC1,XJUIVRPTVHHNAO-UHFFFAOYSA-N
rxn:1:43934:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](F)[C@@H]3O)nn1)CC2,GHBWVDYSWJYSQL-MQHGMPHMSA-N
rxn:1:44403:24562,Cc1cccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)c4ccccc43)C3=C2CCCC3=O)c1,FESVINVEMVSBIY-KWLLXDRESA-N
rxn:1:44403:30167,Cc1nc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3cc(C4CC4)ccc3OCCC2)co1,DVBYNMYAUQCCIC-NSBQRASXSA-N
rxn:1:49116:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4ncc(Cl)nc4c3)nn1)CC2,KNVPOCBURQQJEB-UHFFFAOYSA-N
rxn:1:59334:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3ccc4[nH]nnc4c3)nn1)CC2,HHOTVEKXCOKLKP-UHFFFAOYSA-N
rxn:1:60009:29776,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3cccc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,DXVDREFOKHKLIM-YQZOKAAQSA-N
rxn:1:60009:29902,CN1CC2(CCCN(Cc3cnc4ccccc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,INEWABGKRCAPRV-ALKIKZFASA-N
rxn:1:60009:30714,CN1CC2(CCCN(C(=O)C3CCCC3)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,DJLCJCZWPIUNCQ-AAVUUNPCSA-N
rxn:1:60009:30748,CC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,FNVOJHLDHFWDPP-UTVRUGRBSA-N
rxn:1:60009:30902,Cc1cc2n(n1)CCCN(C(=O)c1cncc(F)c1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,ZNPBOMPZGDGMSV-AAVUUNPCSA-N
rxn:1:60390:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,QMNLNTVNHXZTNV-UHFFFAOYSA-N
rxn:1:60413:30602,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cscn7)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,NBQHBFQWIONIOV-UHFFFAOYSA-N
rxn:1:60537:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc([N+](=O)[O-])ccc6n5C)c4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,BLJBFOAOJUCLCD-UHFFFAOYSA-N
rxn:1:61482:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)s3)nn1)CC2,HDXBUVPKPIHIRL-UHFFFAOYSA-N
rxn:1:62084:30613,CCC(=O)Nc1nc2c(s1)C(O)C(n1cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)CC2,BOTJBNPJCMJSFA-UHFFFAOYSA-N
rxn:1:62098:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,MBPCGRZKTWSTLS-UHFFFAOYSA-N
rxn:1:62105:29799,CCn1cc(CN2CCCOc3ccccc3C(=O)NCC3(CCC2)CCN(C(=O)c2cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)c(C)n1,SOZBIZKWRBOVCI-UHFFFAOYSA-N
rxn:1:62105:29928,Cc1cc2c(cc1CN1CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C1)OCO2,COYQHKVBTACELM-UHFFFAOYSA-N
rxn:1:62106:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,YSQQEYKNPUQGOW-UHFFFAOYSA-N
rxn:1:62110:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,LRGGTUHVJLBGBX-UHFFFAOYSA-N
rxn:1:62113:30130,Cc1ncsc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,QOZDOIMRDGCLDL-AWDFSYQVSA-N
rxn:1:62113:30137,Cc1nn2c(C)c1CN(C(=O)c1ccnn1C)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,NAXAOLRNTADWEB-UHFFFAOYSA-N
rxn:1:62113:30732,Cc1ccccc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)c3ccccc32)C2=C1CC(C)(C)CC2=O,VZOACYDVDKLALN-UHFFFAOYSA-N
rxn:1:62114:30198,CC1(C(=O)N2CCCCOc3ccccc3C(=O)NCC3(CCC2)CCN(C(=O)c2cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn2)CC3)CCCCC1,PPDCFPGTCJYMHL-UHFFFAOYSA-N
rxn:1:62115:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,QMDXADPHAZHOAH-UHFFFAOYSA-N
rxn:1:62136:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,ZCFCJVGJHYHVCL-UHFFFAOYSA-N
rxn:1:62360:30613,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)ccc1-2,LRWRNKOJUAHQSH-UHFFFAOYSA-N
rxn:1:63081:30907,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7cncc(F)c7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)nc2)CC1,VJONQXKMSSVNTF-UHFFFAOYSA-N
rxn:1:63219:30613,COc1ncc(Br)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,YCYFEHRPPBTSCH-UHFFFAOYSA-N
rxn:1:63308:30868,COc1nc(Br)ccc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,XYXQZCTWWZIHFL-UHFFFAOYSA-N
rxn:1:63664:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(-c6sccc6C)o5)C4)nn3)CC2)CC1,LKXYGRGWKCVEHI-UHFFFAOYSA-N
rxn:1:63854:30613,Cc1nc(-c2cccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7scnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)c2)cs1,UUNWRNREHAXUOG-UHFFFAOYSA-N
rxn:1:64448:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(C(=O)O)cc4[N+](=O)[O-])C3)nn1)CC2,OYOITKHPWWBYCF-UHFFFAOYSA-N
rxn:1:64581:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(Br)c(C(=O)O)c4)C3)nn1)CC2,XHWJWWZURRTTFM-UHFFFAOYSA-N
rxn:1:64581:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(Br)c(C(=O)O)c4)C3)nn1)CC2,HGAOEOCYXQBMMA-UHFFFAOYSA-N
rxn:1:64655:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nc[nH]c5c4)C3)nn1)CC2,ZADYKMYGECCBCG-UHFFFAOYSA-N
rxn:1:64927:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C#N)cnn5-c5ccccn5)C4)nn3)CC2)CC1,CQVKTGJEHQJVPP-UHFFFAOYSA-N
rxn:1:44403:29837,COc1cncc(CN2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCCC2)c1,FDRWBGSOPWHSHY-GIGKVJBYSA-N
rxn:1:48055:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc(-c5csc(N)n5)cc4)nn3)CC2)CC1,BUPVRICCHKKDFG-UHFFFAOYSA-N
rxn:1:49462:30793,CN1CC2(CCCN(C(=O)c3ccccc3F)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,LHHDALHKBRXXEU-WDZRAGPMSA-N
rxn:1:58999:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,KTBDYQILOIMNPD-PVQKVPPSSA-N
rxn:1:59506:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3ccc4ncnc(N)c4c3)nn1)CC2,LBBFWOZBIHDHLD-UHFFFAOYSA-N
rxn:1:59684:30613,CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](n2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)[C@H]1O,XKGTZRLJSPKWFP-WVVWPIGOSA-N
rxn:1:60009:24066,Cc1cc(C)c(-c2ccc(C3CC4(C)C(CCC4(O)C(F)(F)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)C4CCC5=CC(=O)CCC5=C34)cc2)c(C)c1,FLMKCDNJFBVCCF-YOKVKKPZSA-N
rxn:1:60009:30588,COc1ccc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)C3)cc1,LEEBZWHETOSZPA-ZGHOWQPZSA-N
rxn:1:60009:30658,CN1CC2(CCCN(C(=O)C3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,DYABUYRCIZRIDC-UTVRUGRBSA-N
rxn:1:60224:30793,CN1CC2(CCCN(C(=O)c3ccccc3F)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,MDSVHYHSSCXXDY-UHFFFAOYSA-N
rxn:1:60527:30868,Cc1cc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[nH]c2cc1C,WWNWCOWUCFCEGV-UHFFFAOYSA-N
rxn:1:60538:30613,COC(=O)c1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,SZYQVTYPKJNQHP-UHFFFAOYSA-N
rxn:1:61251:30723,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,RGDJOLXGTZXRBQ-XGLWVNAJSA-N
rxn:1:61565:30729,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCCC7(CCCN(C(=O)C8CCCC8)CCCCn8nccc8C(=O)N(C)C7)C6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MYEQJDFJGMFDAA-FRAUVBCOSA-N
rxn:1:61565:30824,CCn1cc(C(=O)N2CCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn2)CC3)cn1,VVJSACDMKRFULP-DWDPIALQSA-N
rxn:1:61636:30630,CN1CC2(CCCN(C(=O)c3cnccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,RGZTWMVGYSNSTR-MTTXBAGSSA-N
rxn:1:61636:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,RUBAJRUUGBRFCF-XUWULSGGSA-N
rxn:1:61713:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)nn1)CC2,VZVQBCUQYYKTMJ-STGZTNIGSA-N
rxn:1:61714:7727,Cc1cc(C)c(-c2ccc([C@H]3C[C@@]4(C)[C@@H](CC[C@@]4(O)C(F)(F)c4cn(-c5nc6c7ncnc6n5[C@@H]5O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]6O[C@H](N7)[C@H](O)[C@@H]6O)[C@@H](O)[C@H]5O)nn4)[C@@H]4CCC5=CC(=O)CCC5=C43)cc2)c(C)c1,BHIOCWDONAXOHN-PLAHVMLWSA-N
rxn:1:62106:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CC2)c1,VPALFNHKZGJVSZ-UHFFFAOYSA-N
rxn:1:62108:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,ZGJFLNJOKXVGDP-UHFFFAOYSA-N
rxn:1:62114:30793,CN1CC2(CCCN(C(=O)c3ccccc3F)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,OIGUVLVZTFOIFM-UHFFFAOYSA-N
rxn:1:62114:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,ULYZHKIXIQVQNI-UHFFFAOYSA-N
rxn:1:62115:13427,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(COc6ccc7ccccc7c6C=c6sc7n(c6=O)C(c6ccc(F)cc6)C6=C(N=7)c7ccccc7CC6)nn5)C4)cc3C2=O)C(=O)N1,QELVMKCNMMTADV-UHFFFAOYSA-N
rxn:1:62115:30698,CN1CC2(CCCN(C(=O)c3ccccc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CJDYPEBSBZXXHG-UHFFFAOYSA-N
rxn:1:62116:30187,Cc1nn2c(C)c1CN(Cc1nccs1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,BZKWQVISOTXZOL-UHFFFAOYSA-N
rxn:1:62123:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,LTDKOQQWPNDXJT-UHFFFAOYSA-N
rxn:1:62127:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HCDVSNILZXTMRS-UHFFFAOYSA-N
rxn:1:62271:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CCNC(=O)c1cccc(c1)OCCC2,XTVRAOLJDRKQKZ-UHFFFAOYSA-N
rxn:1:62271:30239,CN1CC2(CCCN(C(=O)C3(c4ccccc4F)CC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,RWZNCTMKEHUDEV-UHFFFAOYSA-N
rxn:1:62664:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(C(C)C4CCCCC4)C3)nn1)CC2,YFCYZKQSVFGJOB-UHFFFAOYSA-N
rxn:1:63086:30620,CN1CCN(CCN2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)CC1,BAEDBFOEZOVDKL-UHFFFAOYSA-N
rxn:1:64287:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(C(=O)O)cc5Br)C4)nn3)CC2)CC1,VIDRVKGDHCMMPM-UHFFFAOYSA-N
rxn:1:64476:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CC2,ZAAZLDSOLCEYGC-UHFFFAOYSA-N
rxn:1:64508:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CC2,SRLKEYHBJJGYKF-UHFFFAOYSA-N
rxn:1:43879:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)CC2)CC1,GLPHCIODXOYNIE-WPNFAKSXSA-N
rxn:1:48027:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4c(c3)OCC(=O)N4)nn1)CC2,WHBBULWDMZJNRY-UHFFFAOYSA-N
rxn:1:49462:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,NPBRLFHDDDWTBO-MTTXBAGSSA-N
rxn:1:59428:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(C4CCCCCCCCCCC4=NNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nn3)CC2)N1,KQRDUCWRFZRCFT-UHFFFAOYSA-N
rxn:1:60009:30555,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ccccc1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,GACZHWVOTKODSQ-WVUVGWLZSA-N
rxn:1:60009:30697,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccccc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,NZBRGGNMVKXELP-XYRRLCSSSA-N
rxn:1:60009:30778,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CN(C)C(=O)c3ccnn3CC3(CC3)C2)cn1,IKRUTEUCJPWQQL-XYFKDZRBSA-N
rxn:1:60009:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,NHDQEFZIRSAPMZ-UTVRUGRBSA-N
rxn:1:60009:7727,Cc1cc(C)c(-c2ccc([C@H]3C[C@@]4(C)[C@@H](CC[C@@]4(O)C(F)(F)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)[C@@H]4CCC5=CC(=O)CCC5=C43)cc2)c(C)c1,FLMKCDNJFBVCCF-HJBPTWCESA-N
rxn:1:60224:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,VZUXWXORJMAWBU-UHFFFAOYSA-N
rxn:1:60390:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,SDVSVPYBNIHYJC-UHFFFAOYSA-N
rxn:1:60391:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)c4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,DTTXLKCVZKRJHI-UHFFFAOYSA-N
rxn:1:60393:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(C(=O)O)cccc5o4)c3)nn1)CC2,IZSGZAUXWLQLND-UHFFFAOYSA-N
rxn:1:60395:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5ccc(C(=O)O)cc5o4)c3)nn1)CC2,HUTKZPZITFEVGK-UHFFFAOYSA-N
rxn:1:60412:30922,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,SHZUAUCWCMIIDT-UHFFFAOYSA-N
rxn:1:60469:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5ccccc5n4-c4ccc(Cl)cc4)nn3)CC2)N1,FADJKGJKEWCOPC-UHFFFAOYSA-N
rxn:1:61067:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,KTBDYQILOIMNPD-UHFFFAOYSA-N
rxn:1:61565:29802,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6cnn(C)c6)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,PFXJYJDDDBBNLR-BENVWNQZSA-N
rxn:1:61713:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)nn1)CC2,SGUPUPMIMHJQTA-STGZTNIGSA-N
rxn:1:62105:13427,O=C1CCC(N2C(=O)c3ccc(N4CCCC(Cn5cc(COc6ccc7ccccc7c6C=c6sc7n(c6=O)C(c6ccc(F)cc6)C6=C(N=7)c7ccccc7CC6)nn5)C4)cc3C2=O)C(=O)N1,WULKQRCBMVKYLO-UHFFFAOYSA-N
rxn:1:62111:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CC1,IMOWKBXPIGAZHU-UHFFFAOYSA-N
rxn:1:62113:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,RWWNCJUETKLGPE-UHFFFAOYSA-N
rxn:1:62115:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,AQHUIXRZRHFOBZ-UHFFFAOYSA-N
rxn:1:62115:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,GLUPLPMBGDINQA-UHFFFAOYSA-N
rxn:1:62116:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WXLQOBSSZJDDLC-UHFFFAOYSA-N
rxn:1:62271:24066,Cc1cc(C)c(-c2ccc(C3CC4(C)C(CCC4(O)C(F)(F)c4cn(-c5nc6c7ncnc6n5C5OC(COP(=O)(OP(=O)(O)O)OCC6OC(N7)C(O)C6O)C(O)C5O)nn4)C4CCC5=CC(=O)CCC5=C34)cc2)c(C)c1,BHIOCWDONAXOHN-UHFFFAOYSA-N
rxn:1:62271:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,IPXJVFFKBJXTSO-UHFFFAOYSA-N
rxn:1:62271:30791,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccc2F)CCC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)CC2)N1,JMAQGUKTMVTNMN-UHFFFAOYSA-N
rxn:1:63092:30613,CNC(=O)c1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Cl,DWIUJNVXWOOKPS-UHFFFAOYSA-N
rxn:1:63602:30868,Cc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1I,UKEHNORMYQNFKP-UHFFFAOYSA-N
rxn:1:63842:30613,Cc1n[nH]c(-c2ccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7scnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)cc2)n1,ZNQINUQBHWEBAA-UHFFFAOYSA-N
rxn:1:64354:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Cl)cc(OC(F)(F)F)cc4Br)C3)nn1)CC2,OXFYAXWHGNHOBP-UHFFFAOYSA-N
rxn:1:64467:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)c6ccncc56)C4)nn3)CC2)CC1,DYLXDNWNMFFCMT-UHFFFAOYSA-N
rxn:1:64613:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)c(F)c4)C3)nn1)CC2,YSUFLDXICXPUGQ-UHFFFAOYSA-N
rxn:1:65061:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ncnc6ccc(Br)cc56)C4)nn3)CC2)CC1,IVDNINNYYLLQHA-UHFFFAOYSA-N
rxn:1:39926:30630,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,IBIFTGLNXNIXFC-UHFFFAOYSA-N
rxn:1:43436:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC#Cc3cccc(C4(C(=O)O)CC4)c3)nn1)CC2,XJYJIHKLJJMTQV-UHFFFAOYSA-N
rxn:1:48641:30630,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC6(CCCN(C(=O)c7cnccn7)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,KITQVIRDGSFRJS-RGUFEFLZSA-N
rxn:1:48641:30921,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC(C6CCN(C(=O)c7ncoc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,QSCLBMHURDXHCE-SFTJFQNMSA-N
rxn:1:49290:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,JWCUGKBKRZFGDT-BHVANESWSA-N
rxn:1:58999:30835,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccon7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,UHLWXHZPLQSIAS-GHKFIZJLSA-N
rxn:1:59686:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=S)O[C@@H]3CO)nn1)CC2,YDZROQVLZQGRBD-OYQUPYODSA-N
rxn:1:59729:30620,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(n2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)C1,WBZMIMAQHYXYFH-UHFFFAOYSA-N
rxn:1:60009:30239,CN1CC2(CCCN(C(=O)C3(c4ccccc4F)CC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,SEBVKPNQTRWAOR-YQZOKAAQSA-N
rxn:1:60009:30628,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,NAXOTHOKXCGLTN-JJRTYJQTSA-N
rxn:1:60009:30733,CN1CC2(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCn2cc(cn2)C1=O,UFMHNSKKBXGWRW-RORMMCOESA-N
rxn:1:60224:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,BVTDJEOVVPIYQA-UHFFFAOYSA-N
rxn:1:60390:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5ccccc5C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)nn4)CC3)CC2)c1,MQUREBLUDWUKKG-UHFFFAOYSA-N
rxn:1:60474:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c6c(ccc5[nH]4)C(=O)c4ccccc4C6=O)nn3)CC2)CC1,AISWDEIDAXDQCB-UHFFFAOYSA-N
rxn:1:60481:30922,CC(=O)n1c(C(F)(F)c2cccc(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c2)nc2ccccc21,AQVSZIRQRQUCTL-UHFFFAOYSA-N
rxn:1:61067:30193,COc1ncc(CN2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,RYHMVAVRWHHKPT-UHFFFAOYSA-N
rxn:1:61482:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)s3)nn1)CC2,SYBGQMFGGNHBOZ-UHFFFAOYSA-N
rxn:1:61597:30195,COc1ccc(CN2CCN(C(=O)c3cn(C4C(O)[C@H]5OC(c6ccccc6)OCC5O[C@H]4Oc4ccc5c(C)cc(=O)oc5c4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,DMXPJUATGVRCMH-YYBHYYMQSA-N
rxn:1:61636:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,PQHXXQFESRFASM-WDZRAGPMSA-N
rxn:1:62033:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,USVQWGOJVQOTRO-UHFFFAOYSA-N
rxn:1:62105:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,PIEAOBMMNOREEZ-UHFFFAOYSA-N
rxn:1:62110:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,CGDHJPIMVNTBMW-UHFFFAOYSA-N
rxn:1:62115:30723,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,USWJQCIPPDZYSD-UHFFFAOYSA-N
rxn:1:62115:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,MWASZIYTLHVMSX-UHFFFAOYSA-N
rxn:1:62116:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,DTAZJCSNQAIZKX-UHFFFAOYSA-N
rxn:1:62241:30907,Nc1ncnc2c1nc(-n1cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)n2[C@H]1C[C@H](O)[C@@H](CO)O1,GZSSCQWLRXYGKJ-PTHMKNEBSA-N
rxn:1:62271:30793,CN1CC2(CCCN(C(=O)c3ccccc3F)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,FTUYHAGMXYUOJI-UHFFFAOYSA-N
rxn:1:62493:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CC(n4ccc(=O)[nH]c4=O)OC3CO)nn1)CC2,MQBZDSRVYTXBON-UHFFFAOYSA-N
rxn:1:63147:30613,COC(=O)c1cc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)c1,ULYIXKFGOUIXRZ-UHFFFAOYSA-N
rxn:1:63183:30613,COC(=O)c1cccc(Br)c1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,BQMMHJLVVGYYMS-UHFFFAOYSA-N
rxn:1:63219:30868,COc1ncc(Br)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,GSLWQKCIXWAIGB-UHFFFAOYSA-N
rxn:1:63431:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ncc(Br)c(C)c5N)C4)nn3)CC2)CC1,PSVUWVSBTWHJJU-UHFFFAOYSA-N
rxn:1:64859:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,ZGAHASRLYINQEV-UHFFFAOYSA-N
rxn:1:65086:13427,O=C1CC(Cn2cc(COc3ccc4ccccc4c3C=c3sc4n(c3=O)C(c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)nn2)CN1c1ncnc2c1ncn2CCO,FWEUXVSYBHIEJU-UHFFFAOYSA-N
rxn:1:65196:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)cc(F)c4C(=O)O)C3)nn1)CC2,WMRWVMQDMXENTN-UHFFFAOYSA-N
rxn:1:65468:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N6CCCCC6)nc(N)n5)C4)nn3)CC2)CC1,MDOMOFCMGCNIFH-UHFFFAOYSA-N
rxn:1:65468:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N6CCCCC6)nc(N)n5)C4)nn3)CC2)CC1,WYXWJONBIZHVKY-UHFFFAOYSA-N
rxn:1:44403:30149,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2cc(C3CC3)ccc2OCCC1,RQONZLNRJWCVRR-GDKGJCSBSA-N
rxn:1:44443:30613,COc1ccc(-c2nc(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c(C)o2)cc1OC,VSCWSSMOXOIJDT-UHFFFAOYSA-N
rxn:1:48982:30629,Cc1ccc(S(=O)(=O)O[C@@H]2CCC3C4CC[C@H]5C[C@@H](n6cc(C(=O)N7CCC8(CCCN(C(=O)c9cnccn9)CCCOc9ccccc9-c9cncc(c9)C(=O)N(C)C8)CC7)nn6)CC[C@]5(C)C4CC[C@@]32C)cc1,JEZIFSCUKYWSDB-HHJTYVIDSA-N
rxn:1:51532:30668,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccncc2)CCC(C2CCN(C(=O)c3cn(CC4C(c5cn(-c6ccccc6)nc5-c5ccncc5)C4(F)F)nn3)CC2)N1,NFCDZVWEDIWVBI-UHFFFAOYSA-N
rxn:1:53769:30890,COCc1cc(C)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6coc(C)n6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,OSHBJUBNDGDMHO-UHFFFAOYSA-N
rxn:1:58999:30161,Cc1nn2c(C)c1CN(C(=O)c1cccnn1)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCNC(=O)c1cccc(c1)OCCC2,BATFBQATPYDKFD-JMNFSDLASA-N
rxn:1:59594:30630,CN1CC2(CCCN(C(=O)c3cnccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)CC4)s3)nn1)CC2,QIDXUOZYRGGKJA-UHFFFAOYSA-N
rxn:1:59602:30628,CC1(C)OB(C(F)=C(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c2ccc(C#N)cc2)OC1(C)C,BTDYFTOOVAVSQO-UHFFFAOYSA-N
rxn:1:59683:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@H]4[C@H](O)[C@@H](n5cnc6c(N)ncnc65)O[C@H]4CO)nn3)CC2)CC1,KKNNMRKPAGXESN-FTSWBYRQSA-N
rxn:1:59685:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cnc5c(N(C)C)ncnc54)O[C@@H]3CO)nn1)CC2,YTRWMJJPQFCMSA-QBMFPLKLSA-N
rxn:1:60009:30385,CCn1nccc1CN1CCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,NETTWRHFDPLWDF-WVUVGWLZSA-N
rxn:1:60009:30496,CN1CC2(CCCN(Cc3cncc(F)c3)CCCCOc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,UMTAAYHDDVJJRM-UTVRUGRBSA-N
rxn:1:60009:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,CUUWSEZTUVVPNC-JFDROPRKSA-N
rxn:1:60074:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn1)CC2,CFLXEYMGQKHVPE-UHFFFAOYSA-N
rxn:1:60224:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,KOEBQJWYXLFMGI-UHFFFAOYSA-N
rxn:1:60249:30668,C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(-n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccncc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)c4s3)CC2)O1,URTFEDMYWNOPSV-SZVSUXHCSA-N
rxn:1:60390:30680,CN1CC2(CCCN(C(=O)c3cccnc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,DHMSNNHIFKCBEW-UHFFFAOYSA-N
rxn:1:60391:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)c4)nn3)CC2)CC1,MVKQGCROANIUOS-UHFFFAOYSA-N
rxn:1:60412:30812,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cccc(C)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,HVMCZGQUVLNPLN-UHFFFAOYSA-N
rxn:1:60413:30852,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cncnc7C)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,NSHAOKSTHGVDDZ-UHFFFAOYSA-N
rxn:1:60554:30628,N=C(Sc1ccncc1)C(F)(F)c1cccc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c1,QJIYKRYJXMMBEE-UHFFFAOYSA-N
rxn:1:61067:30161,Cc1nn2c(C)c1CN(C(=O)c1cccnn1)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CCNC(=O)c1cccc(c1)OCCC2,BATFBQATPYDKFD-UHFFFAOYSA-N
rxn:1:62027:30734,Nc1nc(OCc2ccc(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)cc2)c2nc[nH]c2n1,ZMZVYCIMSZZMCY-UHFFFAOYSA-N
rxn:1:62103:30734,O=C1CCC(N2C(=O)c3ccc(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,QYINCEWDVHOFAS-UHFFFAOYSA-N
rxn:1:62112:30250,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KRBOSCVSVAMZOQ-UHFFFAOYSA-N
rxn:1:62115:30748,CC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,COEONOCBZUYGEN-UHFFFAOYSA-N
rxn:1:62116:30178,Cc1nn2c(C)c1CN(Cc1nc3ccccc3n1C)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,WTKWQKPMEREORQ-UHFFFAOYSA-N
rxn:1:62117:30907,O=C1CCC(N2C(=O)c3cc(F)c(N4CC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,TXFCPUMLIZHWCF-UHFFFAOYSA-N
rxn:1:62271:30648,CN1CC2(CCCN(C(=O)c3ccnn3C)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,LFHFVQDKOORAOE-UHFFFAOYSA-N
rxn:1:62360:30851,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)ccc1-2,FGDNEUAMNLBQCV-UHFFFAOYSA-N
rxn:1:62558:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3C(Oc4ccc5c(C)cc(=O)oc5c4)OC4COC(c5ccccc5)OC4C3O)nn1)CC2,ROKOUHCWMUQGHP-UHFFFAOYSA-N
rxn:1:63317:30613,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ccc1C(F)(F)F,WBBFDAUPKQZTDC-UHFFFAOYSA-N
rxn:1:64476:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CC2,YGEURULBFHLXRI-UHFFFAOYSA-N
rxn:1:64476:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N)c(C#N)c(Br)n5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,GHNGGTMVWNHMTM-UHFFFAOYSA-N
rxn:1:39926:30897,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCCC5(CCCN(C(=O)c6ccn(C)n6)CCCCn6nc(C)cc6C(=O)N(C)C5)C4)nn3)c12,DAYCFHOBHYUTPV-UHFFFAOYSA-N
rxn:1:44403:29833,Cc1cc2c(cc1CN1CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCCC1)OCO2,STEOYMXOQLECCM-ZYMDMWMCSA-N
rxn:1:44403:30162,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)C6CCOCC6)CCCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,SHTORTMBQSTIOE-KEGYYBPJSA-N
rxn:1:48641:30869,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC6(CCCN(C(=O)c7cnccc7C)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,QTMSSIKIIGITHY-PHUPCKOASA-N
rxn:1:48982:30614,Cc1ccc(S(=O)(=O)O[C@@H]2CCC3C4CC[C@H]5C[C@@H](n6cc(C(=O)N7CCC8(CCCN(C(=O)c9scnc9C)CCOc9ccccc9-c9cncc(c9)C(=O)N(C)C8)CC7)nn6)CC[C@]5(C)C4CC[C@@]32C)cc1,LAJPUPOVDKTBEE-JLMSEJPPSA-N
rxn:1:49448:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CCNC(=O)c1cccc(c1)OCCC2,KVKPPXVZFHDZSE-UHFFFAOYSA-N
rxn:1:51455:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc(N6CCN(C)CC6)cc5)C4(F)F)nn3)CC2)CC1,DFTSBDLVNKVHNT-UHFFFAOYSA-N
rxn:1:59593:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(=C(F)B6OC(C)(C)C(C)(C)O6)C5)o4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,HSFGTSWTUKUBCR-UHFFFAOYSA-N
rxn:1:60224:29928,Cc1cc2c(cc1CN1CCCC3(CCN(C(=O)c4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C1)OCO2,BGHDUCYTLCLEIB-UHFFFAOYSA-N
rxn:1:60390:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)CC1,SXFCNXVUMRXOHV-UHFFFAOYSA-N
rxn:1:60391:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CCNC(=O)c1cccc(c1)OCCC2,NAQRQWOZTAWCLL-UHFFFAOYSA-N
rxn:1:60412:30177,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCNC(=O)c5cccc(c5)OCCCn5nc(C)c(c5C)CN(Cc5cnn(C)c5)CC4)nn3)nc2c1,KFIMYCCATFIYIV-UHFFFAOYSA-N
rxn:1:60474:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c6c(ccc5[nH]4)C(=O)c4ccccc4C6=O)nn3)CC2)CC1,NIMHXSQEQPIPGT-UHFFFAOYSA-N
rxn:1:60632:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C[C@H]5O[C@@H](n6cnc7c(N)ncnc76)[C@@H]6OC(C)(C)O[C@@H]65)nn4)CC3)CC2)co1,ZKWAKESFCKXIGM-KMADASDMSA-N
rxn:1:61067:30628,CC12Cc3cnc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,ZDVVFQILHKVYQS-UHFFFAOYSA-N
rxn:1:61067:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,KLDMATAHUIDGBG-UHFFFAOYSA-N
rxn:1:61463:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCCC4)s3)nn1)CC2,NIWGORMEQZOZDU-UHFFFAOYSA-N
rxn:1:61464:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCCCC4)s3)nn1)CC2,RYKGCRNVUHGHCT-UHFFFAOYSA-N
rxn:1:61478:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)s3)nn1)CC2,QRMOLLIWBQZSCD-UHFFFAOYSA-N
rxn:1:61965:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC4COP(=O)(O)OC4C3O)nn1)CC2,ZATNCGJXWCPRAV-UHFFFAOYSA-N
rxn:1:62075:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(CCCO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@H]7[C@H]([C@H](C)[C@H]8CC[C@H](C)CN87)[C@@]6(C)CC[C@@H]54)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,PUUWZXZCIPCHSH-QOYUANDKSA-N
rxn:1:62113:30177,Cc1nn2c(C)c1CN(Cc1cnn(C)c1)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,XQPGGEFPCHWYKD-UHFFFAOYSA-N
rxn:1:62113:30491,Cc1nccc(CN2CCCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)n1,FGILKQPUGGNZPA-UHFFFAOYSA-N
rxn:1:62113:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,MAFYLIAURXNOSF-UHFFFAOYSA-N
rxn:1:62126:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,OQZYTONVLQARDB-UHFFFAOYSA-N
rxn:1:62271:14942,CC12CC(c3ccc(C4CC4)cc3)C3=C4CCC(=O)C=C4CCC3C1CCC2(O)C(F)(F)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,PZRSMBNEYYMOFG-UHFFFAOYSA-N
rxn:1:62271:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,JEGHSTSARZTXGK-UHFFFAOYSA-N
rxn:1:63081:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCN(C)CC5)cn4)C3)nn1)CC2,FRTBUNWJGXPTBK-UHFFFAOYSA-N
rxn:1:63316:30613,COc1ncc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Br,KWHHIGWFVPCSLV-UHFFFAOYSA-N
rxn:1:64319:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(Cl)cc5C(=O)O)C4)nn3)CC2)CC1,YFGXHRSAARIDEL-UHFFFAOYSA-N
rxn:1:64367:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C(=O)O)ccc(Br)c5F)C4)nn3)CC2)CC1,CALXXDANEGBHFX-UHFFFAOYSA-N
rxn:1:64476:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CC2,JUMUKOSLZZTEAL-UHFFFAOYSA-N
rxn:1:64508:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Cl)ccc5-c5nnn[nH]5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,LDZZXUVMXPGSSY-UHFFFAOYSA-N
rxn:1:64729:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)cn4)C3)nn1)CC2,INIOTWKTSXIVFA-UHFFFAOYSA-N
rxn:1:65141:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Br)cc(C(=O)O)c4)C3)nn1)CC2,RBZMRYBBUKMTRJ-UHFFFAOYSA-N
rxn:1:65434:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nccc(-c6ccncc6)n5)C4)nn3)CC2)CC1,NOCGMDNCXOAPAM-UHFFFAOYSA-N
rxn:1:39926:30602,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,ZXZAFYODQWQSIJ-UHFFFAOYSA-N
rxn:1:42390:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC#Cc4cc(F)c(Cl)c(Cl)c4)nn3)CC2)CC1,QBWHHWFDSVXPJS-UHFFFAOYSA-N
rxn:1:44403:24413,Cc1ccccc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc32)C2=C1CCCC2=O,POGOMIBNRJMHJF-DVSLLNQSSA-N
rxn:1:44403:30719,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCCC7(CCCN(C(=O)C8CCCC8)CCCn8cc(cn8)C(=O)N(C)C7)C6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MQFBEFJPDKCBIA-AYDGCCMPSA-N
rxn:1:48641:30613,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC(C6CCN(C(=O)c7scnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,DSKVNVNYGHTSFA-DIQHWUOTSA-N
rxn:1:48735:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cc(N)ccc3F)nn1)CC2,MJQWYLXBGQWFPA-UHFFFAOYSA-N
rxn:1:49448:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCN4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CC1,PVOFGLUDKOQFSI-UHFFFAOYSA-N
rxn:1:53769:30628,COCc1cc(C)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,MIANBFDTPJIVSK-UHFFFAOYSA-N
rxn:1:59599:30628,CC1(C)OB(C(F)=C(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c2ccc(F)cc2)OC1(C)C,PGFLMVZRBNKDAP-UHFFFAOYSA-N
rxn:1:60009:30035,CCn1cc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)[C@H](C3)C(=O)NCC2)cn1,YHNOUQZPOOSJSG-VDYROWCJSA-N
rxn:1:60009:30152,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)c3ccc(F)c(F)c3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,IUMRXCACROGXNB-XLRROOSZSA-N
rxn:1:60009:30211,Cc1ccccc1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,ZHECWMVXQUEANM-WVUVGWLZSA-N
rxn:1:60009:30231,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)C5CCOCC5)CCCCOc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,GMFVHIJTLHSKJR-WVUVGWLZSA-N
rxn:1:60190:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(=O)N[C@H]3C(O)OC(CO)[C@H](O)[C@@H]3O)nn1)CC2,XWZPZMXCMLYGMJ-CDCUXGDYSA-N
rxn:1:60390:30425,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5ccccc5C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)nn4)CC3)CN(C)C(=O)c3ccccc3OCC3(CC3)C2)cn1,ISGHWKVXYPLIBK-UHFFFAOYSA-N
rxn:1:60396:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(C(=O)O)ccc5o4)nn3)CC2)CC1,AQWQHXCXUSMTGJ-UHFFFAOYSA-N
rxn:1:60413:30183,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCNC(=O)c6cccc(c6)OCCCn6nc(C)c(c6C)CN(Cc6ccc7nccnc7c6)CC5)nn4)c3)nc2c1,JTBUDNNSQIGCJS-UHFFFAOYSA-N
rxn:1:60552:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,BEWGCGXKOUEHQJ-UHFFFAOYSA-N
rxn:1:60629:30723,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCC2)CCC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@@H](N6)C(O)[C@H]5O)[C@H](O)C4O)nn3)CC2)N1,SQKWONYMTPYEEI-ZHUCJHBFSA-N
rxn:1:61415:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)o4)nn3)CC2)CC1,HURRKDVISKDDSO-UHFFFAOYSA-N
rxn:1:61565:30836,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccon8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,OMOHMAFWRHUMLO-CQWOQDRNSA-N
rxn:1:61636:30205,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,FKUGFKGUTMSGLJ-YULHQMJRSA-N
rxn:1:61714:30152,O=C1NCCCN(C(=O)c2ccc(F)c(F)c2)CCCOc2ccc(C3CC3)cc2[C@@H]2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)[C@H]1C2,JMLQAQRFTKHVBE-NHXHYEPCSA-N
rxn:1:62110:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,JYRJNDJTJAYNQC-UHFFFAOYSA-N
rxn:1:62112:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,DIHBESKOKSDLNF-UHFFFAOYSA-N
rxn:1:62114:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2ccccc21,FCGNVZGPSLCDOM-UHFFFAOYSA-N
rxn:1:62114:29800,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6ccc8ncccc8c6)CCCOc6ccccc67)nn5)CC4)cc3C2=O)C(=O)N1,FSXZMVBTPHTTBD-YSGYNFQDSA-N
rxn:1:62127:30734,O=C1CCC(N2C(=O)c3cccc(N4CC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)c3C2=O)C(=O)N1,YFFGPNFPNPZWSV-UHFFFAOYSA-N
rxn:1:62271:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,ZLQDDSLAHQODOG-UHFFFAOYSA-N
rxn:1:62290:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(CO)OC(n4cnc5c(N)ncnc54)C(O)C3O)nn1)CC2,MIDSXJPEDGCTPU-UHFFFAOYSA-N
rxn:1:63309:30868,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)cn1,GVVHTURIWHOCMM-UHFFFAOYSA-N
rxn:1:63452:30735,Cc1c(C(=O)O)cccc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)C5CCCCC5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,NFBKQWPPRRFIMY-UHFFFAOYSA-N
rxn:1:64322:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(F)cc(F)cc4C(=O)O)C3)nn1)CC2,SGJFFGVOIRIDPD-UHFFFAOYSA-N
rxn:1:64474:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)c(F)cc4F)C3)nn1)CC2,CURKUUNDDAVGIC-UHFFFAOYSA-N
rxn:1:64856:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5ncsc5c4Br)C3)nn1)CC2,GITDLHFNSHLIEP-UHFFFAOYSA-N
rxn:1:64940:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ncc(Br)nc5C(=O)O)C4)nn3)CC2)CC1,UYNBIWBICDEIDS-UHFFFAOYSA-N
rxn:1:65074:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(N)c6[nH]cnc6n5)C4)nn3)CC2)CC1,VSCZAXOKCRHRSI-UHFFFAOYSA-N
rxn:1:65339:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(Oc6ncc(Br)cn6)c5)C4)nn3)CC2)CC1,ROQWNBRRIAJWDV-UHFFFAOYSA-N
rxn:1:39926:30648,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccnn6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,XRWSNMSCQNDSAO-UHFFFAOYSA-N
rxn:1:51432:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5cc(C(=O)O)c(C)c([N+](=O)[O-])c5)C4(F)F)nn3)CC2)CC1,BVBNGNQRWMAEPP-UHFFFAOYSA-N
rxn:1:58999:29997,CCn1cc(C(=O)N2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)c3ccccc3OCC2)cn1,GICBXOBZMOEJIC-MMLMLHOKSA-N
rxn:1:58999:30036,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cncc(F)c5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,ZALSBZOGPVRHNQ-JOOUFYNTSA-N
rxn:1:58999:30038,Cc1ocnc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)[C@H](C2)C(=O)NCC1,BYXGYMGFUWCEHB-GTYPADSVSA-N
rxn:1:58999:30041,Cc1nc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)[C@H](C3)C(=O)NCC2)co1,ZPHRWMCMRMYCNS-AWZMDEPTSA-N
rxn:1:58999:30043,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cccnc5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,XGKHIZLTZGTONI-MMLMLHOKSA-N
rxn:1:58999:30108,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)CC3)CN(C)C(=O)c3ccnn3CC2)cn1,BBTIQKFMLVAJJI-JXWWAUGCSA-N
rxn:1:58999:30227,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cncnc5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,OBFHIJHJHCAQSH-GHDWVYFMSA-N
rxn:1:58999:30389,CN1CC2(CCCN(C(=O)c3cnccn3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,ZBQNJRYVSODJAH-SZGCPBDOSA-N
rxn:1:58999:30574,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CCCCn3cc(cn3)C1=O)CN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCO2,SHDGWUISUOEGBR-WMVUXNIQSA-N
rxn:1:58999:30579,COCC(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCO2,WOEBCUHBQLSZFC-YQQDFSMRSA-N
rxn:1:58999:30894,Cn1ccc(C(=O)N2CCCOc3ccc(F)cc3C(=O)NCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)CC3)CC2)n1,QBVYOJJTTSHKIS-UHWZESDSSA-N
rxn:1:60009:29614,CC12Cc3cn4c(nc3CC1CCC1C2CCC2(C)C1CCC2(O)c1cn(C[C@H]2NC(=O)Cc3ccccc3CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc3c[nH]c5ccccc35)NC2=O)nn1)nc1ccccc14,WPPQZQZXFRKSBQ-NGAQOUQSSA-N
rxn:1:60009:30754,CCC(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,TVIXEFYTFHNOCM-YQZOKAAQSA-N
rxn:1:60110:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C[C@]56CCC(=O)C=C5CC[C@@H]5[C@@H]6CC[C@]6(C)C(=O)CC[C@@H]56)nn4)CC3)CC2)co1,QXCJBTOOLRVOHW-UJTMEWOLSA-N
rxn:1:60224:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,OPXSJJHRYZSIPL-UHFFFAOYSA-N
rxn:1:60448:30881,COC(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7ccncc7C)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,DRCCYAPIMDJVSR-UHFFFAOYSA-N
rxn:1:60471:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(C(=O)c6ccccc6)ccc5[nH]4)nn3)CC2)CC1,IABIVAOKYFGXHO-UHFFFAOYSA-N
rxn:1:61565:24413,Cc1ccccc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc32)C2=C1CCCC2=O,POGOMIBNRJMHJF-RYGWWRALSA-N
rxn:1:61565:30178,Cc1nn2c(C)c1CN(Cc1nc3ccccc3n1C)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,HYDUUDLLOMNIOM-IPIMFBCOSA-N
rxn:1:61636:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,ADSAYIXXHNAZEU-ZFXISCRVSA-N
rxn:1:61636:30801,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCC2)CCC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)N1,QRUVAPUOUJTDKY-KUTNYDLQSA-N
rxn:1:61636:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,HCRFIMYSRTYTFB-WDZRAGPMSA-N
rxn:1:62117:13427,O=C1CCC(N2C(=O)c3cc(F)c(N4CC(Cn5cc(COc6ccc7ccccc7c6C=c6sc7n(c6=O)C(c6ccc(F)cc6)C6=C(N=7)c7ccccc7CC6)nn5)C4)cc3C2=O)C(=O)N1,FLYSTQMEOFJTDH-UHFFFAOYSA-N
rxn:1:63168:30850,COC(=O)c1nc(I)cnc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,XOBOYARBTHDENV-UHFFFAOYSA-N
rxn:1:63434:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)ncc(Br)c5C)C4)nn3)CC2)CC1,ARLSUDIMOWBQAW-UHFFFAOYSA-N
rxn:1:63531:30868,Cc1ccc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1,CDAHKZJIZVEYRB-UHFFFAOYSA-N
rxn:1:63639:30850,Cc1nc(N)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Br,DFPHBDDHRSZOLU-UHFFFAOYSA-N
rxn:1:63855:30613,Cc1nc(-c2cccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7scnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)c2)n[nH]1,SBGBKMGBIPCKIH-UHFFFAOYSA-N
rxn:1:64535:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(OC(F)(F)F)ccc5Br)C4)nn3)CC2)CC1,UFBOXRWGIYLLJQ-UHFFFAOYSA-N
rxn:1:64595:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)CC1,RPOXMSQKKAISKU-UHFFFAOYSA-N
rxn:1:64736:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(=O)N4N=C5C(=Cc6ccc(F)cc6)CCCC5C4c4ccc(F)cc4)nn3)CC2)CC1,MNUPIQZIMCORHM-UHFFFAOYSA-N
rxn:1:64792:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(C(=O)O)cc5Br)C4)nn3)CC2)CC1,KVWCDISLIDJXCJ-UHFFFAOYSA-N
rxn:1:64859:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6nccnc6c5Br)C4)nn3)CC2)CC1,GHVLXPVVMNLRIA-UHFFFAOYSA-N
rxn:1:65576:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(-c6cccc(F)c6)o5)C4)nn3)CC2)CC1,CRPMZDAJTSLEED-UHFFFAOYSA-N
rxn:1:39926:30614,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6scnc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,PDRGDVYAVRIVPR-UHFFFAOYSA-N
rxn:1:44403:30802,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,NNKLGXARDDBPQX-MPOWKVKASA-N
rxn:1:49596:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)nn1)CC2,MNPZRSRWRHZABF-XCZDWVJKSA-N
rxn:1:51178:30850,COC(=O)c1nc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)cnc1N,LRHFEQCXZQVJDG-UHFFFAOYSA-N
rxn:1:58999:29860,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5ccc(F)cn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,WFGJRWASUSJIAC-WTOCJAPRSA-N
rxn:1:58999:29955,CCn1cc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C3)c3ccccc3OCC2)cn1,OLUFABZGQYRYEH-FOJQQWBTSA-N
rxn:1:58999:29987,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cscn5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,YUXXJVHBNNPGNK-PFEBWEBYSA-N
rxn:1:58999:29990,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cnccn5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,VPHUQCPLRPHUCB-AWZMDEPTSA-N
rxn:1:58999:30061,CN1CC2(CCCN(C(=O)c3cscn3)CCCn3nccc3C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,FPHXHSVKUIJKRZ-BMFVCTCHSA-N
rxn:1:58999:30069,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@@H]6C[C@H](C5)c5ccccc5OCCCN(C(=O)c5cscn5)CCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,FHKJLHATBFISBA-OJFLDNEFSA-N
rxn:1:58999:30078,Cc1ocnc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)C(=O)NCC1,KUVJBSPIBGGBGZ-VOUXLXJQSA-N
rxn:1:58999:30393,Cn1nccc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)[C@H](C2)C(=O)NCC1,NROAAAZIZTUXTB-AWZMDEPTSA-N
rxn:1:58999:30563,Cc1cc2n(n1)CCCCN(C(=O)c1cnco1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)CCO1,FSGCWJMJLBAHKC-ONVKSOSMSA-N
rxn:1:60009:29916,COc1ncc(CN2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)cn1,AHILEPWHKMEYGN-WVUVGWLZSA-N
rxn:1:60009:29925,Cn1ccc(CN2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)n1,VIOUIKIIIXUCCA-WVUVGWLZSA-N
rxn:1:60009:30244,COc1ccccc1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,XDHBSWFZRIXPMY-WVUVGWLZSA-N
rxn:1:60009:30253,CN1CC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CCN(C(=O)C2CCCCC2)CCCn2nc(ccc2=O)C1=O,FEGBJIFWSUACQJ-AAVUUNPCSA-N
rxn:1:60574:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)C(=N)SC3=NCCN3)nn1)CC2,DGLIZLSTIPRSAO-UHFFFAOYSA-N
rxn:1:60632:30668,CC1(C)O[C@@H]2[C@H](O1)[C@@H](Cn1cc(C(=O)N3CCC(C4CCN(C(=O)c5ccncc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)O[C@H]2n1cnc2c(N)ncnc21,KAVFDNKYKMBVIK-XQQDXVKHSA-N
rxn:1:61565:29776,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8cncc(F)c8)CCCOc8cccc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,ULASSWPHETYACX-VAEYZEMDSA-N
rxn:1:61636:30398,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,PDASJXRTXOEOIM-YMTMYXHNSA-N
rxn:1:61835:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(Cc4cccc(B5OC(C)(C)C(C)(C)O5)c4)nn2)CC3)cn1,ANBPXVWNHGFKPS-UHFFFAOYSA-N
rxn:1:62104:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,RPVWPSODCYJIFR-UHFFFAOYSA-N
rxn:1:62114:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,FSHUEYORYAHTOS-UHFFFAOYSA-N
rxn:1:62116:24435,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,HAIYETWNWZWEFT-UHFFFAOYSA-N
rxn:1:62126:30801,O=C1CCC(N2C(=O)c3cccc(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)c3C2=O)C(=O)N1,DUWTYXFFXZWDLY-UHFFFAOYSA-N
rxn:1:62130:29906,CN1CC2(CCCN(Cc3ccc4nccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,MKHPVHIWXBPBCX-UHFFFAOYSA-N
rxn:1:62295:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3C[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)nn1)CC2,MQBZDSRVYTXBON-KZEYLSHBSA-N
rxn:1:62310:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3[C@H](O)[C@@H](CO)O[C@H]3n3ccc(N)nc3=O)nn1)CC2,LPQMEVSCZKBKEH-IJKWMEFESA-N
rxn:1:62874:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4nc(C(C)(C)C)cs4)C3)nn1)CC2,KNKYCVABXKYRKQ-UHFFFAOYSA-N
rxn:1:63119:30850,COC(=O)c1ncc(Br)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,YGIKOYYMQZWAQN-UHFFFAOYSA-N
rxn:1:63662:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(-c6ccc(Br)cc6)c(C)s5)C4)nn3)CC2)CC1,DRPWFPHTFKSASX-UHFFFAOYSA-N
rxn:1:63838:30620,Cc1csc(CN2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,PIFOCCPNHBJKNV-UHFFFAOYSA-N
rxn:1:64491:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(Br)ccc5C(=O)O)C4)nn3)CC2)CC1,LIUNCYVYBJGUPL-UHFFFAOYSA-N
rxn:1:64595:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ZMRRMNCDUVBPJB-UHFFFAOYSA-N
rxn:1:64613:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)c(F)c4)C3)nn1)CC2,HWMZVVRRSQBKCB-UHFFFAOYSA-N
rxn:1:65059:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(Cl)nc5ccc(Br)cc45)C3)nn1)CC2,QGICGJVMQKEYFC-UHFFFAOYSA-N
rxn:1:65589:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(C6CCCC6)s5)C4)nn3)CC2)CC1,KVKGNJPJSSVMBZ-UHFFFAOYSA-N
rxn:1:44403:30864,Cc1cc2n(n1)CCCN(C(=O)c1cnccc1C)CCCC1(CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC1)CN(C)C2=O,JQTNDSFHMXULOE-ACQUAREYSA-N
rxn:1:58999:29996,Cc1ncncc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCC1,XOBBCJMZRPMWCT-JZMNNSEUSA-N
rxn:1:58999:30002,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ncccn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,ABKGMKPEPKBDND-IUMDTKNMSA-N
rxn:1:58999:30031,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ccc(F)cn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,QCMUKXCPNHSPAN-RFQQOLKKSA-N
rxn:1:58999:30037,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cccnn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,UZCQRFBDQMGBCE-AWZMDEPTSA-N
rxn:1:58999:30044,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cnccn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,DJUFYAUTIPBOGW-AWZMDEPTSA-N
rxn:1:58999:30080,Cc1nc(C(=O)N2CCCOc3ccccc3[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C3)C(=O)NCC2)co1,ZAVPNRMDJVJSKV-VOUXLXJQSA-N
rxn:1:58999:30098,Cc1nc(C(=O)N2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C(C3)c3ccccc3OCC2)co1,AANIWBJIKJNQEZ-AUTPLLSASA-N
rxn:1:58999:30304,Cn1ccc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C(C3)c3ccccc3OCC2)n1,BPKFSPMFIPRSBN-XJDUTZFQSA-N
rxn:1:58999:30437,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cnco5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,UMGHTPQCQPYROG-VLZNBXOUSA-N
rxn:1:58999:30446,CN1CCCN(C(=O)c2ccon2)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)C1=O,KNXXYIDSUDDUGQ-MKGBFTSLSA-N
rxn:1:58999:30474,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5ccc(F)cn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,MZEIYYJZZDYSFV-YRLPPTSDSA-N
rxn:1:58999:30507,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCCC6(CCN(C(=O)c7ccon7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,DBQGJTVVJIBROD-OPUDWPCZSA-N
rxn:1:58999:30532,Cc1ocnc1C(=O)N1CCCOc2ccccc2C(=O)NCC2(CCCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)CC1,HMUQOEBWWJNEHS-JMFMBOTMSA-N
rxn:1:58999:30605,CN1CC2(CCCN(C(=O)c3cscn3)CCCCn3nccc3C1=O)CCCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)C2,XDWVFDAXFXOROX-ONVKSOSMSA-N
rxn:1:60536:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc([N+](=O)[O-])ccc5n4C)nn3)CC2)CC1,BNTWQDXOWDEGNB-UHFFFAOYSA-N
rxn:1:61067:29990,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cnccn5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,VPHUQCPLRPHUCB-OQHDHDCRSA-N
rxn:1:61067:29996,Cc1ncncc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCC1,XOBBCJMZRPMWCT-XIKICDSYSA-N
rxn:1:61067:30041,Cc1nc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)[C@H](C3)C(=O)NCC2)co1,ZPHRWMCMRMYCNS-OQHDHDCRSA-N
rxn:1:61067:30044,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cnccn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,DJUFYAUTIPBOGW-OQHDHDCRSA-N
rxn:1:61067:30400,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5ccccn5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,CTTPJXHOWLWSTN-PFNPOWSNSA-N
rxn:1:61067:30461,Cc1nc(C(=O)N2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)c3ccccc3OCC2)co1,AQFLGWBUITXWEB-OQHDHDCRSA-N
rxn:1:61614:30908,Cc1nc2c3c4c(sc3nc(-n3cc(C(=O)N5CCC6(CCCN(C(=O)c7cncc(F)c7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn3)n2n1)COC(C)(C)C4,RVZOWXWWOPLWGG-UHFFFAOYSA-N
rxn:1:61636:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,UAEHYLAXVBWFLS-XUWULSGGSA-N
rxn:1:61965:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC4COP(=O)(O)OC4C3O)nn1)CC2,SGUPUPMIMHJQTA-UHFFFAOYSA-N
rxn:1:62052:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn1)CC2,RUJKNOSHIGVJIG-UHFFFAOYSA-N
rxn:1:62114:13427,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(COc6ccc7ccccc7c6C=c6sc7n(c6=O)C(c6ccc(F)cc6)C6=C(N=7)c7ccccc7CC6)nn5)CC4)cc3C2=O)C(=O)N1,MACZUQIFPJBYON-UHFFFAOYSA-N
rxn:1:62271:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,OIOGYIUDHCHXHG-UHFFFAOYSA-N
rxn:1:62283:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(-c3ccc(C(=O)NCC4O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)c3)nn2)c2ccccc21,GPMZQBUUMSXCOF-SXKSGFDVSA-N
rxn:1:63195:30620,COC(=O)c1n[nH]c(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,BOSFIDOYXDYBCP-UHFFFAOYSA-N
rxn:1:63561:30868,Cc1cc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)c1,PGWAFXRKMPHZFD-UHFFFAOYSA-N
rxn:1:63866:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(C)c(Br)c(Cl)n5)C4)nn3)CC2)CC1,HBYRULSIVKPPDH-UHFFFAOYSA-N
rxn:1:64491:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Br)ccc4C(=O)O)C3)nn1)CC2,ZYPNOSVIQXDHBM-UHFFFAOYSA-N
rxn:1:64595:30635,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccc(F)cc2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)N1,MTRJQAFSHFXFNC-UHFFFAOYSA-N
rxn:1:64595:30648,CN1CC2(CCCN(C(=O)c3ccnn3C)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,RCNZVYWOKNGNAV-UHFFFAOYSA-N
rxn:1:64595:30690,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)N1,GSJVELOHBPPGCR-UHFFFAOYSA-N
rxn:1:65413:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5n[nH]c(C6CCCCC6)n5)C4)nn3)CC2)CC1,XMHGIBLYQAERKY-UHFFFAOYSA-N
rxn:1:50976:30868,COc1cc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)c(OC)cc1Br,GPWMXFBGDFOANC-UHFFFAOYSA-N
rxn:1:53769:30668,COCc1cc(C)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,NOUVGYVJTIEMDO-UHFFFAOYSA-N
rxn:1:58999:29985,Cc1ncsc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCC1,GBXILABJFHTDHJ-GTYPADSVSA-N
rxn:1:58999:29992,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cncc(F)c5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,IEYKDCDXEANWKU-JOOUFYNTSA-N
rxn:1:58999:29999,Cc1ocnc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCC1,UXVZJSSGZDHPGC-GTYPADSVSA-N
rxn:1:58999:30011,CCc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCCC1,CIUXRIYFHGYEEE-RAKHFUSMSA-N
rxn:1:58999:30042,Cc1ncsc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)[C@H](C2)C(=O)NCC1,JGXXRIDELFSZTE-GTYPADSVSA-N
rxn:1:58999:30055,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cc[nH]n7)CCCc7ccccc7C(=O)NC6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,JWBRTFNWZISWEK-KSDHOBAWSA-N
rxn:1:58999:30084,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(C(=O)c5cnccn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,OANIYPADFGZAMT-AUTPLLSASA-N
rxn:1:58999:30095,Cc1ocnc1C(=O)N1CCCNC(=O)C2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C(C2)c2ccccc2OCC1,IRVSZACUQUHFGU-MKHZNASKSA-N
rxn:1:58999:30473,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5ccc(F)cn5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,FHKYZIURKCAEGH-YRLPPTSDSA-N
rxn:1:58999:30602,CN1CC2(CCCN(C(=O)c3cscn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,QMCQLPVUYRTDSE-RIGKRCATSA-N
rxn:1:58999:30611,Cc1ncsc1C(=O)N1CCCn2nccc2C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCO2,ZMYHATYMVHTWOY-ONKIBXCMSA-N
rxn:1:60009:30533,Cc1cc2n(n1)CC1(CC1)CN(C(=O)C(C)C)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,JSDNDHHUFICAIC-KWDKOVGYSA-N
rxn:1:60475:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c7c(ccc6[nH]5)C(=O)c5ccccc5C7=O)c4)nn3)CC2)CC1,XFCIAAUQXLKPTN-UHFFFAOYSA-N
rxn:1:61067:29824,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ncccn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,ANSICDINNFFVCZ-TZGRDLBZSA-N
rxn:1:61067:29883,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccn7ccnc7c5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,QALKSLVTQUNGJC-OKUZFMAHSA-N
rxn:1:61067:29998,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cccnn5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,AGYXSLZADZBQCI-OQHDHDCRSA-N
rxn:1:61067:30093,CC12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(C(=O)c5cncc(F)c5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,IGBFGBBPOGAHLW-UHFFFAOYSA-N
rxn:1:61067:30094,CC12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(C(=O)c5cccnn5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,BMVRRWPUFOSVBA-UHFFFAOYSA-N
rxn:1:61067:30095,Cc1ocnc1C(=O)N1CCCNC(=O)C2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)C(C2)c2ccccc2OCC1,IRVSZACUQUHFGU-UHFFFAOYSA-N
rxn:1:61067:30098,Cc1nc(C(=O)N2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C(C3)c3ccccc3OCC2)co1,AANIWBJIKJNQEZ-UHFFFAOYSA-N
rxn:1:61067:30227,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cncnc5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,OBFHIJHJHCAQSH-ULLPLKRFSA-N
rxn:1:61067:30293,CC12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(Cc5ccc7nccnc7c5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,AOZOIRHUCHBQST-UHFFFAOYSA-N
rxn:1:61067:30514,CC12Cc3cnc(-n4cc(C(=O)N5CCCC6(CCN(C(=O)c7cscn7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,NVHQONBXCJHROF-UHFFFAOYSA-N
rxn:1:61632:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@H](Oc4ccc([N+](=O)[O-])cc4Cl)O[C@H](CO)[C@H](O)[C@@H]3O)nn1)CC2,SPIMMVVTCJGIFL-SPLSJWDPSA-N
rxn:1:61636:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,ZHTVTWHFURNAJG-BRGYNSQLSA-N
rxn:1:62107:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XJWOHOMXWFLFGH-UHFFFAOYSA-N
rxn:1:62114:30738,CN1CC2(CCCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)CCCN(C(=O)C2CCCCC2)CCCCn2nccc2C1=O,IJXZVILQERHMOG-UHFFFAOYSA-N
rxn:1:62115:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KTTCNTIXYKYRAG-UHFFFAOYSA-N
rxn:1:63765:30850,Cc1cc([N+](=O)[O-])cc(Br)c1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,WKLCKAYQILAHNC-UHFFFAOYSA-N
rxn:1:64476:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,LZGABXLORDKLJX-UHFFFAOYSA-N
rxn:1:41409:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC=Cc5ccc(OC(F)(F)F)cc5N)nn4)CC3)CC2)co1,PFXCFBMZHLBZJV-UHFFFAOYSA-N
rxn:1:49458:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn1)CC2,GNYPKCZNZRDPPF-UHFFFAOYSA-N
rxn:1:51444:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5cccc6c(C(=O)O)cccc56)C4(F)F)nn3)CC2)CC1,XYPKHFAHENEYNI-UHFFFAOYSA-N
rxn:1:58999:29898,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccc(F)cn5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,XPQJRXZPNIMIMY-NRXPWZBOSA-N
rxn:1:58999:29930,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5ccon5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,DWVKGWNXGRUBLG-PFEBWEBYSA-N
rxn:1:58999:30024,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cscn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,QTKLVAOKJRINPA-QYUWDLIMSA-N
rxn:1:58999:30045,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cscn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,PGDQGZHNUTYEKO-PFEBWEBYSA-N
rxn:1:58999:30159,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cccnn5)CCCOc5ccc(C7CC7)cc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,VFYKAQWUBYARMI-RMHRLISTSA-N
rxn:1:58999:30439,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cnco5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,GQNKETSHGFUJSG-VLZNBXOUSA-N
rxn:1:58999:30826,CCn1cc(C(=O)N2CCCn3nccc3C(=O)N(C)CC3(CCC2)CN(C(=O)c2cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn2)CCO3)cn1,YQCRTFUIHWXIHQ-RTOIPQBASA-N
rxn:1:58999:30837,CN1CC2(CCCN(C(=O)c3cccnn3)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,CQQGTZXECJDXJZ-SRLHFXTKSA-N
rxn:1:59348:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCCCc4n[nH]c5ncnc(Cl)c45)nn2)CC3)cn1,AQXORIPPORCTRT-UHFFFAOYSA-N
rxn:1:60224:9281,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(n6cccc6)N(c6cccc(Cl)c6)C6=C5C(=O)CC(C)(C)C6)c5ccccc53)nn2)CC4)cn1,XKFARIHVZNGZFC-UHFFFAOYSA-N
rxn:1:60552:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,FRNZWDBQUONKCY-UHFFFAOYSA-N
rxn:1:60552:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,HCGMXZXRRPDYKP-UHFFFAOYSA-N
rxn:1:60632:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@@H]5OC(C)(C)O[C@@H]54)nn3)CC2)CC1,IHAIGSCUKUDQAP-LHBOMMQNSA-N
rxn:1:61067:29860,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5ccc(F)cn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,WFGJRWASUSJIAC-ADNGITFUSA-N
rxn:1:61067:29898,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccc(F)cn5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,XPQJRXZPNIMIMY-RZXQBGFDSA-N
rxn:1:61067:29899,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ncccc5F)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,VZRZSIDQLKLRNM-DXEUDKDJSA-N
rxn:1:61067:30037,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cccnn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,UZCQRFBDQMGBCE-OQHDHDCRSA-N
rxn:1:61067:30038,Cc1ocnc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)[C@H](C2)C(=O)NCC1,BYXGYMGFUWCEHB-NGKFEBOBSA-N
rxn:1:61067:30082,Cc1ncsc1C(=O)N1CCCNC(=O)C2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)C(C2)c2ccccc2OCC1,BEOXBFVAUUGKLZ-UHFFFAOYSA-N
rxn:1:61067:30084,CC12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(C(=O)c5cnccn5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,OANIYPADFGZAMT-UHFFFAOYSA-N
rxn:1:61067:30135,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cc[nH]n5)CCCOc5ccc(C7CC7)cc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,PQMXKHUYFIEIKB-GMQVQUDXSA-N
rxn:1:61067:30436,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cnco5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,HKUDCCIKDNHROX-FEBOUOSKSA-N
rxn:1:61067:30443,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5ccon5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,SKQRRWWITTUWCR-YNPFOIAYSA-N
rxn:1:61067:30572,Cc1nc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CN(C(=O)c2cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn2)CCO3)co1,QKXRXDGOXJNLLY-UHFFFAOYSA-N
rxn:1:61565:24460,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(CN6C(=O)C7(C(C#N)=C(N)N(c8cccnc8)C8=C7C(=O)CC(C)(C)C8)c7ccccc76)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,NZHKLWVKDKYNNQ-WNDVSGAKSA-N
rxn:1:63645:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(C#N)c(C)n5)C4)nn3)CC2)CC1,NKVZPBHITUWDGW-UHFFFAOYSA-N
rxn:1:64530:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(I)ccc4C(=O)O)C3)nn1)CC2,LTGDBJHATICHQJ-UHFFFAOYSA-N
rxn:1:64613:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)c(F)c4)C3)nn1)CC2,DLQAWTXPMVNSMG-UHFFFAOYSA-N
rxn:1:48546:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccnc(N)c3)nn1)CC2,JSAARBFGWYDDEU-UHFFFAOYSA-N
rxn:1:49290:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,QIWHRVKCBJAUPZ-KDXMTYKHSA-N
rxn:1:58999:29998,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cccnn5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,AGYXSLZADZBQCI-AWZMDEPTSA-N
rxn:1:58999:30016,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cccnn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,PKMAXTUSLIRXSN-KCHKQAKISA-N
rxn:1:58999:30032,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ncccc5F)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,PQOAOVUQRUIOBN-SUKCFJNKSA-N
rxn:1:58999:30132,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cnccn5)CCCOc5ccc(C7CC7)cc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,SOTNHMOQEZDYMV-RMHRLISTSA-N
rxn:1:58999:30436,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cnco5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,HKUDCCIKDNHROX-HBQFDRBOSA-N
rxn:1:58999:30455,Cc1cnccc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCCC1,XUTNVHGAKVPHDD-IJUXKAPGSA-N
rxn:1:58999:30502,CC(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCO2,WCERXUFLPPVPMQ-JTWMGAPBSA-N
rxn:1:58999:30742,CC(=O)N1CCCOc2ccc(F)cc2C(=O)NCC2(CC1)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,NHEGUZKHANWKFJ-RRIHGICJSA-N
rxn:1:58999:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,XLRFJDMPPQOXCA-BXFWDJCWSA-N
rxn:1:59590:13427,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1ccc(C(=O)N2CC(n3cc(COc4ccc5ccccc5c4C=c4sc5n(c4=O)C(c4ccc(F)cc4)C4=C(N=5)c5ccccc5CC4)nn3)C2)s1,RWPQJMQWDINQCY-UHFFFAOYSA-N
rxn:1:60110:30668,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H]1CCC2=O,WFKINZYCOXWKLP-DVLLPTRXSA-N
rxn:1:60446:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(C)(=O)=O)ccc5o4)c3)nn1)CC2,DIFHZMPZKDZSNR-UHFFFAOYSA-N
rxn:1:60456:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,WKOAFKAEFYSPHI-UHFFFAOYSA-N
rxn:1:60485:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(C)c(C)ccc5[nH]4)nn3)CC2)CC1,WEBUISMYUKCOOK-UHFFFAOYSA-N
rxn:1:60552:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nncn4C)c3)nn1)CC2,FTTIOYHPAVSCCI-UHFFFAOYSA-N
rxn:1:60629:30152,O=C1NCCCN(C(=O)c2ccc(F)c(F)c2)CCCOc2ccc(C3CC3)cc2[C@@H]2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@@H](N6)C(O)[C@H]5O)[C@H](O)C4O)nn3)[C@H]1C2,JMLQAQRFTKHVBE-BZRDABGZSA-N
rxn:1:61067:29889,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccncc5F)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,YPWJGOJMURTBLB-XXKDCVESSA-N
rxn:1:61067:30019,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cc[nH]n5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,NFKRXCWUBYQKTI-YNPFOIAYSA-N
rxn:1:61067:30024,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cscn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,QTKLVAOKJRINPA-YNPFOIAYSA-N
rxn:1:61067:30035,CCn1cc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)[C@H](C3)C(=O)NCC2)cn1,QWDYROIJPBHPRN-WTBXTCDKSA-N
rxn:1:61067:30080,Cc1nc(C(=O)N2CCCOc3ccccc3[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C3)C(=O)NCC2)co1,ZAVPNRMDJVJSKV-DVWRVAPJSA-N
rxn:1:61067:30441,CN1CC2(CCCN(C(=O)c3cnco3)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,URTXMVNTYMQGRU-UHFFFAOYSA-N
rxn:1:61067:30473,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5ccc(F)cn5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,FHKYZIURKCAEGH-MZYGEECXSA-N
rxn:1:61067:30507,CC12Cc3cnc(-n4cc(C(=O)N5CCCC6(CCN(C(=O)c7ccon7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,DBQGJTVVJIBROD-UHFFFAOYSA-N
rxn:1:61067:30839,CC12Cc3cnc(-n4cc(C(=O)N5CCC6(CCN(C(=O)c7cccnn7)CCCOc7ccc(F)cc7C(=O)NC6)CC5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,RGNZPHGCJZLBRC-UHFFFAOYSA-N
rxn:1:61439:30914,CCN1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)CC6CCOCC6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)o2)CC1,MWLJUTDNDOFUKQ-UHFFFAOYSA-N
rxn:1:61493:30850,CCN1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)s2)CC1,JTQQPMYQMFPQLX-UHFFFAOYSA-N
rxn:1:61565:30206,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCN(C(=O)CC8CCOCC8)CCCn8nc(ccc8=O)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WGBCIXAGEDHNHJ-SJFILEDVSA-N
rxn:1:62052:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,WITPNHPSHSCVOZ-UHFFFAOYSA-N
rxn:1:62103:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KGLYIQGIVQIGDI-UHFFFAOYSA-N
rxn:1:62104:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CC1,UNLRYWTVCOWNRL-UHFFFAOYSA-N
rxn:1:62107:30723,O=C1CCC(N2C(=O)c3ccc(N4CC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,HOYZYMQTOBENCX-UHFFFAOYSA-N
rxn:1:62112:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,IJYJNDBHBDPCEW-UHFFFAOYSA-N
rxn:1:62271:5442,C[C@]12C[C@H](c3ccc(C4CC4)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,PZRSMBNEYYMOFG-WUPKOHRSSA-N
rxn:1:62990:30922,CCCN1CCC(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)CC1,FHIAUJITMBVTRX-UHFFFAOYSA-N
rxn:1:64508:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CC2,YNJXPLZKOFFPLZ-UHFFFAOYSA-N
rxn:1:44403:23667,CCOC(=O)c1ncn2c1[C@H](C)N=C(c1ccccc1F)c1cc(-c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)ccc1-2,WLVKWRJFHCYTQF-SHPDUYQYSA-N
rxn:1:44403:30192,Cc1nn2c(C)c1CN(Cc1ccnn1C(C)C)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,WCDLQDAKVDDRMY-GYQMTDKHSA-N
rxn:1:44403:30583,Cc1cc2n(n1)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)CCO1,ZGQUKGOPBFAAND-QVZJYJBPSA-N
rxn:1:49148:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4ncnc(N)c4c3)nn1)CC2,UVYXUZIDYBEXGS-UHFFFAOYSA-N
rxn:1:50976:30628,COc1cc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)c(OC)cc1Br,LOQHOAKOZZBLGA-UHFFFAOYSA-N
rxn:1:58999:29858,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5cncc(F)c5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,LLLYQAMCBPYLBZ-HGMVOTKBSA-N
rxn:1:58999:29862,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5ccc(Cl)cn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,UNMDCONTHQWQFW-WTOCJAPRSA-N
rxn:1:58999:29900,Cc1cccc(CN2CCCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)CC3)CN(C)C(=O)c3cnn(c3)CC2)n1,VETXDISBXOFYAU-WVHUWHLUSA-N
rxn:1:58999:29983,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cc[nH]n5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,RIIIUHFEBFNRAV-PFEBWEBYSA-N
rxn:1:58999:29993,CCc1ocnc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCC1,YGOXZAIXEHUOTL-GZHJEHCKSA-N
rxn:1:58999:30009,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cncc(F)c5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,QMMXLPSDFJIEIJ-YJLFCCODSA-N
rxn:1:58999:30034,Cc1ncncc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)[C@H](C2)C(=O)NCC1,SLBOQFRROQHUBX-JZMNNSEUSA-N
rxn:1:58999:30144,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCCN(C(=O)c5cccnc5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,USRFFDJMKOZLSH-ZEAXTDJESA-N
rxn:1:58999:30287,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6(CCN(C(=O)c7cocn7)CCCOc7ccccc7C(=O)NC6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,NSLLIXZMDLBGCW-AVJZPALASA-N
rxn:1:58999:30326,CN1CC2(CCCN(Cc3ccc(C(F)(F)F)nc3)CCn3nccc3C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,MUISTJYGISAAIQ-JXWWAUGCSA-N
rxn:1:58999:30675,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6(CCN(C(=O)c7cccnc7)CCCOc7ccc(F)cc7C(=O)NC6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,LPTIUTXVHBDNQO-ITWOPMAWSA-N
rxn:1:60009:30257,CN1CC2(CCCN(C(=O)c3ccccc3)CC3(CC3)COc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,ZXQCKNISIHGGAU-UTVRUGRBSA-N
rxn:1:61067:29823,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ccn7ccnc7c5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,BYCIOOARSBGENI-OKUZFMAHSA-N
rxn:1:61067:29886,Cn1nccc1CN1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCC1,NFXWVLRAWRWEBD-UHVZOAFRSA-N
rxn:1:61067:29896,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5cncc(F)c5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,RFIRGUPSBVVEPV-PWHVTSAHSA-N
rxn:1:61067:29999,Cc1ocnc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCC1,UXVZJSSGZDHPGC-NGKFEBOBSA-N
rxn:1:61067:30001,CC12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ccn7ccnc7c5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,KRZGFDUFCUTPPQ-PGCQDSIASA-N
rxn:1:61067:30025,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cccnc5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,VKIOCTQBXOCRDZ-KNEUGHQFSA-N
rxn:1:61067:30046,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cc[nH]n5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,OHKHKHKXZRDPOJ-IGBXJPMQSA-N
rxn:1:61067:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CCNC(=O)c1cccc(c1)OCCC2,PCUUJAXYSFVCGA-UHFFFAOYSA-N
rxn:1:61067:30334,CC12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(Cc5ncccn5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,HWUQGLBSUCMJBU-UHFFFAOYSA-N
rxn:1:61067:30474,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5ccc(F)cn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,MZEIYYJZZDYSFV-MZYGEECXSA-N
rxn:1:61067:30511,CC12Cc3cnc(-n4cc(C(=O)N5CCCC6(CCN(C(=O)c7cnccn7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,FTZNMPHPNIAZSJ-UHFFFAOYSA-N
rxn:1:61067:30564,CC12Cc3cnc(-n4cc(C(=O)N5CCCC6(CCN(C(=O)c7cnco7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,SQIDENHGUULMNL-UHFFFAOYSA-N
rxn:1:61067:30598,CC12Cc3cnc(-n4cc(C(=O)N5CCC6(CCN(C(=O)c7cscn7)CCCOc7ccc(F)cc7C(=O)NC6)CC5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,QGPRXABFYIONAA-UHFFFAOYSA-N
rxn:1:61067:30742,CC(=O)N1CCCOc2ccc(F)cc2C(=O)NCC2(CC1)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,NHEGUZKHANWKFJ-UHFFFAOYSA-N
rxn:1:61436:30613,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,LNLFIQYXFWDIDF-QSHTZEDISA-N
rxn:1:62112:30155,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)C6CCC6)CCCOc6ccc(C8CC8)cc67)nn5)C4)cc3C2=O)C(=O)N1,FEFXTPWIYCIVEA-XDNWJINRSA-N
rxn:1:62116:30240,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CBETVXMPJXOESF-UHFFFAOYSA-N
rxn:1:63081:30657,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5CCC6(CCCN(C(=O)C7CC7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)CC3=O)nc2)CC1,UULDLYMIDHVRAG-UHFFFAOYSA-N
rxn:1:63118:30868,COC(=O)c1cc(F)c(F)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,HGBOIZNIAZAIMX-UHFFFAOYSA-N
rxn:1:63687:30620,Cc1noc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)c1C,ZAGVEAFBPBBZAW-UHFFFAOYSA-N
rxn:1:64476:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,LZBAIFYUDFBJOD-UHFFFAOYSA-N
rxn:1:64478:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)nc(Br)c4C#N)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,PYGKADXBGLROTE-UHFFFAOYSA-N
rxn:1:64690:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cc4)C3)nn1)CC2,FANDMKLPEIBWPT-UHFFFAOYSA-N
rxn:1:53769:30907,COCc1cc(C)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,AYYYBDAAXRNPCX-UHFFFAOYSA-N
rxn:1:58999:29801,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5ccncc5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,FEBCPKXVMVYYQR-XJYHUPRJSA-N
rxn:1:58999:29859,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5ncccc5F)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,PVKVAMADSGJHEH-WZESBLLVSA-N
rxn:1:58999:29884,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ncccn5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,XCVOKQXWFCPZOS-YGFFNFMGSA-N
rxn:1:58999:29890,Cc1ncccc1CN1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCC1,SHVWLQSQGQJYPQ-UQMNIRCNSA-N
rxn:1:58999:30076,CCn1cc(C(=O)N2CCCOc3ccccc3[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C3)C(=O)NCC2)cn1,JTHISCSOSPLZTQ-QOMNFDGRSA-N
rxn:1:58999:30171,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCCN(C(=O)c5cncc(F)c5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,HQAWEJXOULZCAY-MKBZQMSBSA-N
rxn:1:58999:30172,Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2cc(C3CC3)ccc2OCCC1,RGFBVHYDDUQLED-JZWFAICISA-N
rxn:1:58999:30438,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cnco5)CCOc5ccc(C7CC7)cc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,XPUXAUQAXUNWGS-IJSPOFMYSA-N
rxn:1:58999:30443,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5ccon5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,SKQRRWWITTUWCR-QYUWDLIMSA-N
rxn:1:58999:30572,Cc1nc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CN(C(=O)c2cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn2)CCO3)co1,QKXRXDGOXJNLLY-RTOIPQBASA-N
rxn:1:59592:30161,Cc1nn2c(C)c1CN(C(=O)c1cccnn1)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)CC4)o3)nn1)CCNC(=O)c1cccc(c1)OCCC2,KUFCRRJTCVNOQC-UHFFFAOYSA-N
rxn:1:59595:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(=C(F)B6OC(C)(C)C(C)(C)O6)C5)s4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,CLLDYLRTDSJFFB-UHFFFAOYSA-N
rxn:1:60224:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,SVVPLUWDKWAPRK-UHFFFAOYSA-N
rxn:1:60224:9252,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(F)cc6)C6=C5C(=O)CC(C)(C)C6)c5ccccc53)nn2)CC4)cn1,JCLXYQOSHUZQNR-UHFFFAOYSA-N
rxn:1:60413:30846,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)C7CCOCC7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,MEMGELSBJDIYGM-UHFFFAOYSA-N
rxn:1:60632:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@@H]5OC(C)(C)O[C@@H]54)nn3)CC2)CC1,SVCDODAEDGAGFT-OINGOHRRSA-N
rxn:1:61067:29829,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ncccc5F)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,BQJPFSHTHPTZFF-DXEUDKDJSA-N
rxn:1:61067:30011,CCc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCCC1,CIUXRIYFHGYEEE-IGIUUMRISA-N
rxn:1:61067:30076,CCn1cc(C(=O)N2CCCOc3ccccc3[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C3)C(=O)NCC2)cn1,JTHISCSOSPLZTQ-MNJPPBCYSA-N
rxn:1:61067:30142,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cccnc5)CCCOc5ccc(C7CC7)cc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,RBBFVUIDGVMUES-URJOTOGTSA-N
rxn:1:61067:30304,Cn1ccc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C(C3)c3ccccc3OCC2)n1,BPKFSPMFIPRSBN-UHFFFAOYSA-N
rxn:1:61067:30468,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,JAPDDFGHARAJGR-UHFFFAOYSA-N
rxn:1:61479:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CC6CCCC6C5)s4)nn3)CC2)CC1,ZYAKJKKUWDIBGL-UHFFFAOYSA-N
rxn:1:61636:29905,CN1CC2(CCCN(Cc3ccnc4ccccc34)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,ZWNAPEMWHVCSKM-PJRMGPMPSA-N
rxn:1:61965:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc5c(N)ncnc5n4C4OC5COP(=O)(O)OC5C4O)nn2)CC3)cn1,WQXXDMUWMRPUSH-UHFFFAOYSA-N
rxn:1:62104:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,KYLKZVHYOWSWMN-UHFFFAOYSA-N
rxn:1:62112:30247,CN1CC2(CCCN(C(=O)C3(C)CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VTUMVUFJQIJTKT-UHFFFAOYSA-N
rxn:1:62123:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)cn1,JYEGXAOXQTUKTO-UHFFFAOYSA-N
rxn:1:62126:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,NFXTYLKQPJFJTM-UHFFFAOYSA-N
rxn:1:62257:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,RNLNDJYNCBVJIT-VRCSCFIMSA-N
rxn:1:63117:30921,COC(=O)c1cc(Br)c(F)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ncoc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,AWCARSFRZAJJTC-UHFFFAOYSA-N
rxn:1:63316:30868,COc1ncc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Br,HCBFAYMQRBAQLJ-UHFFFAOYSA-N
rxn:1:63480:30613,COc1cc(Br)c(C)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,UUSADDBKMNQLAX-UHFFFAOYSA-N
rxn:1:64469:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(B(O)O)ccc5Cl)C4)nn3)CC2)CC1,UTNWBTMWNSEJSM-UHFFFAOYSA-N
rxn:1:64508:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,PUBUEQAOZKTWRD-UHFFFAOYSA-N
rxn:1:64595:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,BRMVNDFWSRDKFU-UHFFFAOYSA-N
rxn:1:64689:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCCC6)cc5)C4)nn3)CC2)CC1,UUKSCJSZAYTMQZ-UHFFFAOYSA-N
rxn:1:44403:30486,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(Cc8ccn9ccnc9c8)CCCCOc8ccccc8C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,QMJSVMRLTJAUSP-HOGUAKCSSA-N
rxn:1:49125:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC(O)C(O)c4cc5cccnc5cc4F)nn2)CC3)cn1,SEFYRGCFKOAHPG-UHFFFAOYSA-N
rxn:1:58999:29771,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3cccc(c3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,XPENYAMMYHVLKX-PPJDUFBLSA-N
rxn:1:58999:30012,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5ccc(F)c(F)c5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,UXHGOUBHNHKKRB-JUHUYLAHSA-N
rxn:1:58999:30023,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCCC1,QEHIPHGSHYHKSD-UKHVLKNYSA-N
rxn:1:58999:30091,CCn1cc(C(=O)N2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C(C3)c3ccccc3OCC2)cn1,MNRVNQNQNPHLBO-UFFQYENRSA-N
rxn:1:58999:30240,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,COJWSNMNTCUDFL-HQFHXLOTSA-N
rxn:1:58999:30334,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(Cc5ncccn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,HWUQGLBSUCMJBU-FBKJEZPISA-N
rxn:1:58999:30667,CN1CC2(CCCN(C(=O)c3ccncc3)CCCn3nccc3C1=O)CN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCO2,UUGWBVPIXMTMDS-RTOIPQBASA-N
rxn:1:60009:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,QWDINQVVTXIJQI-JFIVVXKQSA-N
rxn:1:60527:30850,Cc1cc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[nH]c2cc1C,KZJYLWGTXYHUHW-UHFFFAOYSA-N
rxn:1:60538:30668,COC(=O)c1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,UMASTMSVGIWEMS-UHFFFAOYSA-N
rxn:1:60632:24445,CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)C21C(=O)N(Cc2cn(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OC(C)(C)O[C@@H]43)nn2)c2ccccc21,SDRFJCVTRWHQIR-YVIIPIDASA-N
rxn:1:61067:29877,COc1ncc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)c3ccccc3OCC2)cn1,HESCDJCXKDENBT-SSXNNXPJSA-N
rxn:1:61067:29890,Cc1ncccc1CN1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCC1,SHVWLQSQGQJYPQ-OZVRSBFASA-N
rxn:1:61067:29985,Cc1ncsc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCC1,GBXILABJFHTDHJ-NGKFEBOBSA-N
rxn:1:61067:29992,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cncc(F)c5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,IEYKDCDXEANWKU-AMJSVJFHSA-N
rxn:1:61067:30036,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cncc(F)c5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,ZALSBZOGPVRHNQ-AMJSVJFHSA-N
rxn:1:61067:30826,CCn1cc(C(=O)N2CCCn3nccc3C(=O)N(C)CC3(CCC2)CN(C(=O)c2cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn2)CCO3)cn1,YQCRTFUIHWXIHQ-UHFFFAOYSA-N
rxn:1:61501:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCC4)s3)nn1)CC2,TXRYXLGRESUKMV-UHFFFAOYSA-N
rxn:1:61714:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)C2)C1=O,QXVSSSXCTYEDJM-XOUUEVPJSA-N
rxn:1:62105:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JGZFPCSZIKLWRN-UHFFFAOYSA-N
rxn:1:62112:30582,CN1CC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CCCn3nccc3C1=O)CN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCO2,TWFZUXFQRVJBEI-UHFFFAOYSA-N
rxn:1:62114:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,MORGWFTVTYAPFC-UHFFFAOYSA-N
rxn:1:62115:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,YNUZCZPBWUROPS-UHFFFAOYSA-N
rxn:1:62186:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CN(C(=O)OC(C)(C)C)C5(CC5)CO4)nn2)CC3)cn1,BSTWVQAGVCZXLF-UHFFFAOYSA-N
rxn:1:63113:30868,COC(=O)c1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(F)cc1F,DVZXPKANQZWTSP-UHFFFAOYSA-N
rxn:1:63444:30613,COc1cc(C)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Cl,WUSNOBHIEFSXDF-UHFFFAOYSA-N
rxn:1:64324:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cccc5C(=O)O)C4)nn3)CC2)CC1,XWIGFRGSMLOQEP-UHFFFAOYSA-N
rxn:1:64464:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)c6ncccc56)C4)nn3)CC2)CC1,RWHAJAUOPMLLQH-UHFFFAOYSA-N
rxn:1:64595:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,OVDHBCDOTKJOJK-UHFFFAOYSA-N
rxn:1:64647:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5c(c4)N4CCN=C4S5)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,MFMPFPRMOFBGME-UHFFFAOYSA-N
rxn:1:64671:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cc(Br)cn6)cc5)C4)nn3)CC2)N1,LDVUGNNRKZVCNN-UHFFFAOYSA-N
rxn:1:64689:30690,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCCC6)cc5)C4)nn3)CC2)N1,INLRKNXWGKELJU-UHFFFAOYSA-N
rxn:1:64689:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(N7CCCCCC7)cc6)C5)nn4)CC3)CC2)co1,DVUSAQKQNJSHQO-UHFFFAOYSA-N
rxn:1:64952:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cnc(Br)cn4)C3)nn1)CC2,VEUKVTPJCANIIJ-UHFFFAOYSA-N
rxn:1:39926:30849,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCOCCOc6ccccc6C(=O)N5)CC4)nn3)c12,YVQMEKZJGBAMGH-UHFFFAOYSA-N
rxn:1:44403:30202,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCOCC8)CCCCn8nccc8C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,FPPOZKOGXAFPQW-NYHBZDHDSA-N
rxn:1:48102:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3c(F)c(F)c(C(=O)O)c(F)c3F)nn1)CC2,FAJXRSUPQCWLJY-UHFFFAOYSA-N
rxn:1:48641:30852,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC6(CCCN(C(=O)c7cncnc7C)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,CMIQZVXKJCNMBV-MUYNPTHKSA-N
rxn:1:49014:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cc4cc[nH]c4cc3Cl)nn1)CC2,RECSENNUNHEUFW-UHFFFAOYSA-N
rxn:1:49114:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5c(Cl)ncnc5c4)nn3)CC2)CC1,GHIHCQVOMNSUIM-UHFFFAOYSA-N
rxn:1:58999:29830,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ccc(F)cn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,QZTMSBNJRDZJBS-NRXPWZBOSA-N
rxn:1:58999:29956,CCc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)c2ccccc2OCC1,ASXHURORJOCNQA-DUIOGOKNSA-N
rxn:1:58999:30001,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ccn7ccnc7c5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,KRZGFDUFCUTPPQ-HYZPBWMJSA-N
rxn:1:58999:30310,Cn1nccc1CN1CCCNC(=O)C2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C(C2)c2ccccc2OCC1,SMUXWRHRFIRUMR-XJDUTZFQSA-N
rxn:1:60224:519,Cc1cc(C=C2SC(=O)N(Cc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2,YAEPHMXWFHJMFC-UHFFFAOYSA-N
rxn:1:60224:8973,Cc1nn(-c2ccc3nnc(C)n3n2)c2c1C(c1ccc(OCc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)cc1)CC(=O)N2,QNFIYDPOWFYJHX-UHFFFAOYSA-N
rxn:1:60224:9569,CN1CCN(c2ccc3[nH]cc(C(=O)Nc4cccc(-c5cn(CC(C)(C)C(=O)N6CCc7nc8ncc(-c9cnn(C)c9)cc8cc7C6)nn5)c4)c(=O)c3c2)CC1,AHBPXIWUELCIHI-UHFFFAOYSA-N
rxn:1:60413:30192,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCNC(=O)c6cccc(c6)OCCCn6nc(C)c(c6C)CN(Cc6ccnn6C(C)C)CC5)nn4)c3)nc2c1,CYILKUIPKIEQQA-UHFFFAOYSA-N
rxn:1:61067:30472,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5ccc(F)cn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,BKRCEQIHBYKHOR-MCPMJGSDSA-N
rxn:1:61565:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,ZNKHSFVLULQQEA-SUOKOGIUSA-N
rxn:1:62102:30515,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ccncc1C)CCCC1(CCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,AOVAYWNMKFPMIH-UHFFFAOYSA-N
rxn:1:62239:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,ZLFUNNRUDQBDPA-NDWOMZEPSA-N
rxn:1:62272:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,SWBPLDPLPXHYCA-UHFFFAOYSA-N
rxn:1:63435:30921,Cc1cc(Br)c(C(=O)O)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ncoc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,WFUPKUNURVIFLC-UHFFFAOYSA-N
rxn:1:64530:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(I)ccc4C(=O)O)C3)nn1)CC2,YYMMNTRPMBXQSS-UHFFFAOYSA-N
rxn:1:64575:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCCC5)c(C#N)c4)C3)nn1)CC2,CIJDTUAZPLPJPH-UHFFFAOYSA-N
rxn:1:64613:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)c(F)c4)C3)nn1)CC2,VBPPMYXSCAYLTF-UHFFFAOYSA-N
rxn:1:64650:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6[nH]nc(Br)c6c5)C4)nn3)CC2)CC1,GCIJNRYGRXMXKR-UHFFFAOYSA-N
rxn:1:64689:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCCC6)cc5)C4)nn3)CC2)CC1,HDDMIXVXBWRSEK-UHFFFAOYSA-N
rxn:1:64689:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCCC6)cc5)C4)nn3)CC2)N1,FQGGMRVQXOXGKI-UHFFFAOYSA-N
rxn:1:64695:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(OC(F)(F)F)cc5)C4)nn3)CC2)CC1,KMHZMQSYZDACAH-UHFFFAOYSA-N
rxn:1:65067:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc6cccnc6c6ncccc56)C4)nn3)CC2)N1,NFTKFXYLCQCGNM-UHFFFAOYSA-N
rxn:1:65583:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(-c6cccnc6)o5)C4)nn3)CC2)CC1,RASVOVOSXFHILB-UHFFFAOYSA-N
rxn:1:39926:30189,CCn1ccnc1CN1CCN(C(=O)c2cn(-c3c(C(=O)c4ccc(Cl)cc4Cl)sc4nc(C)cc(COC)c34)nn2)CCNC(=O)c2cccc(c2)OCCCn2nc(C)c(c2C)C1,SDVWVLKEMHTXSR-UHFFFAOYSA-N
rxn:1:49441:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,URBYAASRGAGTGE-UHFFFAOYSA-N
rxn:1:58999:29780,Cc1ocnc1C(=O)N1CCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,APUCNRSOZMJDJH-KXCZDKTQSA-N
rxn:1:58999:29818,Cn1cc(CN2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)[C@H](C3)C(=O)NCC2)cn1,ZHNNFBYMRWTDGV-DAZQTKDYSA-N
rxn:1:58999:29829,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ncccc5F)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,BQJPFSHTHPTZFF-BOEFXDODSA-N
rxn:1:58999:29988,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cccnc5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,ITPCXYIOXYLNLT-MMLMLHOKSA-N
rxn:1:58999:30019,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cc[nH]n5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,NFKRXCWUBYQKTI-QYUWDLIMSA-N
rxn:1:58999:30075,Cc1ncncc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)C(=O)NCC1,LOBCCIPIJHJCLK-KKQZIKFESA-N
rxn:1:58999:30169,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cncc(F)c5)CCCOc5ccc(C7CC7)cc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,OSOXAUFYNRPFCF-HBHMYQFNSA-N
rxn:1:58999:30888,Cc1nc(C(=O)N2CCCC3(CN(C)C(=O)c4cnn(c4)CC2)CN(C(=O)c2cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn2)CCO3)co1,KSGCMHYQAXXATA-QWLGDMKWSA-N
rxn:1:59718:30735,Cc1nc(S(=O)(=O)N2CCCC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C2)cn1C,SAQSDKGYWVUEDA-UHFFFAOYSA-N
rxn:1:60009:30386,Cc1noc(C)c1CN1CCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,SPFMMGAQLGNSJR-WVUVGWLZSA-N
rxn:1:60082:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCOc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn2)c2ccccc21,WMIBYQXCVAFKQX-UHFFFAOYSA-N
rxn:1:60224:10172,Cc1ccc(-c2c(C)sc3nc(C(C)C)n(Cc4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)c(=O)c23)cc1C,YRJYPLLGBMOWKM-UHFFFAOYSA-N
rxn:1:60224:30194,Cc1ccc(F)c(CN2CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)c1,GBGTXYMTRHUXMG-UHFFFAOYSA-N
rxn:1:60224:8195,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(C(=O)N3CCCC(c5nc(N)ncc5-c5cccc(C(N)=O)c5)C3)nn2)CC4)cn1,CGHSGKXAPWIMCZ-UHFFFAOYSA-N
rxn:1:60224:9278,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(n6cccc6)N(c6ccc(F)cc6)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,MFVRFUYYKTZDQK-UHFFFAOYSA-N
rxn:1:60224:9846,Cc1nn(-c2nc3ccccc3s2)c2c1C(c1ccc(OCc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)cc1)SCC(=O)N2,PNOSKNGXQQRYPU-UHFFFAOYSA-N
rxn:1:60438:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(N)cccc5o4)nn3)CC2)CC1,JICHDQRBIZGGRX-UHFFFAOYSA-N
rxn:1:60457:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)c3)nn1)CC2,YRRQSAFIRQCBGI-UHFFFAOYSA-N
rxn:1:61067:29840,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccc7nccnc7c5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,AYUODPUETQEDPG-QXWKYXDLSA-N
rxn:1:61067:29983,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cc[nH]n5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,RIIIUHFEBFNRAV-IGBXJPMQSA-N
rxn:1:61067:30091,CCn1cc(C(=O)N2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C(C3)c3ccccc3OCC2)cn1,MNRVNQNQNPHLBO-UHFFFAOYSA-N
rxn:1:61067:30439,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(C(=O)c5cnco5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,GQNKETSHGFUJSG-FUPRLGHFSA-N
rxn:1:61067:30642,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCCn3nccc3C1=O)CN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CCO2,WXPQKOGCOLQJBZ-UHFFFAOYSA-N
rxn:1:61636:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,VXODPUORINDEMO-WDZRAGPMSA-N
rxn:1:62111:30668,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccncc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC4)cc3C2=O)C(=O)N1,DTQUJUGRFMBDAM-UHFFFAOYSA-N
rxn:1:62111:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,YPLZDGIQDIBVCV-UHFFFAOYSA-N
rxn:1:62114:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)C1=O,FHTBWVIJUZREKJ-KFNIBYBNSA-N
rxn:1:63944:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC(=O)N4N=C(c5ccc(Br)cc5)CC4c4ccccc4)nn3)CC2)N1,LETQAIQLDNCQTM-UHFFFAOYSA-N
rxn:1:64354:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Cl)cc(OC(F)(F)F)cc5Br)C4)nn3)CC2)CC1,QRCWKXCXZANRCQ-UHFFFAOYSA-N
rxn:1:64476:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,HQIXZWHAHWKFPB-UHFFFAOYSA-N
rxn:1:64568:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(OC(F)(F)F)c(Br)c5)C4)nn3)CC2)CC1,PZJBUARXZRGVHI-UHFFFAOYSA-N
rxn:1:64613:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)c(F)c5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,DUOSPUZRKYAIDT-UHFFFAOYSA-N
rxn:1:64838:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(OC(F)(F)F)cc5Br)C4)nn3)CC2)N1,IIVUOMVHQURLCY-UHFFFAOYSA-N
rxn:1:65235:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(CN7CCCCC7)cc6)C5)nn4)CC3)CC2)co1,KJQSXAKPFGZBQA-UHFFFAOYSA-N
rxn:1:65294:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(Cl)c5-n5ccnc5)C4)nn3)CC2)N1,NFBZZCDMDREEFJ-UHFFFAOYSA-N
rxn:1:65309:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(Cn6cncn6)c5)C4)nn3)CC2)N1,IQYYPVMDNZTJCT-UHFFFAOYSA-N
rxn:1:47999:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccccc3-c3cc[nH]n3)nn1)CC2,FDVFXEZIMUBLSU-UHFFFAOYSA-N
rxn:1:58764:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3cc(N)ccn3)nn1)CC2,AALVANKKJKWLBA-UHFFFAOYSA-N
rxn:1:58999:29891,COc1cncc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)c3ccccc3OCC2)c1,OBJGHLKYSWJUNP-DHPDPFJVSA-N
rxn:1:58999:30035,CCn1cc(C(=O)N2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)[C@H](C3)C(=O)NCC2)cn1,QWDYROIJPBHPRN-MMLMLHOKSA-N
rxn:1:58999:30094,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(C(=O)c5cccnn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,BMVRRWPUFOSVBA-AUTPLLSASA-N
rxn:1:58999:30158,CCn1cc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C3)c3ccccc3OCCC2)cn1,OTTORVHFGGQMKS-MVWRQRGOSA-N
rxn:1:58999:30348,Cc1noc(C)c1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,SLBJODYQZGSAFS-BKLIZJLWSA-N
rxn:1:60224:10314,Cc1ccc(-c2nc3sc(C)c(-c4cccs4)c3c(=O)n2Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)cc1,DKXDVEQVIXHEJC-UHFFFAOYSA-N
rxn:1:60224:30164,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2cc(C3CC3)ccc2OCCC1,KUJJTOBSNFQLCP-MUNDKMRRSA-N
rxn:1:60224:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,HDLNJHWJAANRSE-UHFFFAOYSA-N
rxn:1:60224:9032,CCSc1nc2c(c(=O)[nH]1)C1(C(=O)N(Cc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c3ccccc31)C(C#N)=C(N)N2,VWLUJQMJSIKLIM-UHFFFAOYSA-N
rxn:1:60224:9245,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)Oc6c5c(=O)n(C)c5ccccc65)c5ccccc53)nn2)CC4)cn1,PPBLCRYXOQECNZ-UHFFFAOYSA-N
rxn:1:60553:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)C(=N)Sc4ccncc4)nn3)CC2)CC1,FUAOUBHVOMICFC-UHFFFAOYSA-N
rxn:1:60629:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@@H](N5)C(O)[C@H]4O)[C@H](O)C3O)nn1)CC2,ZLQDDSLAHQODOG-KMCOHDRPSA-N
rxn:1:61067:29832,Cc1ccc(CN2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)[C@H](C3)C(=O)NCC2)nc1,ISLWYPFLAFAFMI-YFAVGAKLSA-N
rxn:1:61067:29862,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5ccc(Cl)cn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,UNMDCONTHQWQFW-ADNGITFUSA-N
rxn:1:61067:30202,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,AYHRYWSGIMXRTP-UHFFFAOYSA-N
rxn:1:61067:30303,CC12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(Cc5ccc(Cl)cn5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,BNGRHJUBZXPZGW-UHFFFAOYSA-N
rxn:1:61067:30393,Cn1nccc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)[C@H](C2)C(=O)NCC1,NROAAAZIZTUXTB-OQHDHDCRSA-N
rxn:1:61067:30455,Cc1cnccc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCCC1,XUTNVHGAKVPHDD-YLJODACKSA-N
rxn:1:61474:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCCN(C)CC5)s4)nn3)CC2)CC1,ZLJJDICGODENMR-UHFFFAOYSA-N
rxn:1:61635:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@@H]4[C@H](Oc5ccc([N+](=O)[O-])cc5F)O[C@H](CO)[C@H](O)[C@@H]4O)nn3)CC2)CC1,OKBDMSVAWJARTO-KXHMUDDQSA-N
rxn:1:61636:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,DVGWNJWTASLRKA-WDZRAGPMSA-N
rxn:1:61714:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,KWPSNNAEGZRZNP-LWUJSOOBSA-N
rxn:1:61894:30773,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C(C)C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,VRMGMQWEBMNRSJ-HAMGJEGRSA-N
rxn:1:62104:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,NTOWZGFNBDBDHB-UHFFFAOYSA-N
rxn:1:62111:30155,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)C6CCC6)CCCOc6ccc(C8CC8)cc67)nn5)CC4)cc3C2=O)C(=O)N1,OEVIHIRJWJNCST-XVVCTRNHSA-N
rxn:1:62868:30734,CC(C)(C)c1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1[N+](=O)[O-],SAGWPXZYFQRQTP-UHFFFAOYSA-N
rxn:1:63326:30922,COc1cc(Br)cc(Br)c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ncoc5C)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,ARWYHSUWFHPNJT-UHFFFAOYSA-N
rxn:1:63609:30735,Cc1ccc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)cc1S(=O)(=O)O,YNJJTQXGIOLOAK-UHFFFAOYSA-N
rxn:1:64281:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5[nH]ncc5-c5cccc(Cl)c5)C4)nn3)CC2)N1,WSAUVRWTTWCPBX-UHFFFAOYSA-N
rxn:1:64317:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncc(Br)cc4C(=O)O)C3)nn1)CC2,QIXUJEYCEZQFRI-UHFFFAOYSA-N
rxn:1:64367:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C(=O)O)ccc(Br)c5F)C4)nn3)CC2)CC1,ZVSLWTOAGGCJEP-UHFFFAOYSA-N
rxn:1:64595:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(-n7cncn7)c(Cl)c6)C5)nn4)CC3)CC2)co1,PPKYYACOVOPJIM-UHFFFAOYSA-N
rxn:1:64669:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-c6nnn[nH]6)cc5)C4)nn3)CC2)CC1,RGOYCGQXFIGEAG-UHFFFAOYSA-N
rxn:1:64671:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cc(Br)cn6)cc5)C4)nn3)CC2)CC1,SJWHDMZGAZTMHY-UHFFFAOYSA-N
rxn:1:64671:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cc(Br)cn6)cc5)C4)nn3)CC2)N1,CRKFJRTYPBQAIC-UHFFFAOYSA-N
rxn:1:65244:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Cn6cncn6)cc5)C4)nn3)CC2)N1,NVKRYIGJYPBSJG-UHFFFAOYSA-N
rxn:1:65259:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-n6nccn6)c5)C4)nn3)CC2)CC1,CZYPEOYLHNBUCP-UHFFFAOYSA-N
rxn:1:65582:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(-c6ccncc6)s5)C4)nn3)CC2)CC1,HYCQCIHSDZUAQE-UHFFFAOYSA-N
rxn:1:65583:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(-c6cccnc6)o5)C4)nn3)CC2)N1,ZWMGNVFNZCOLIC-UHFFFAOYSA-N
rxn:1:47545:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3cnc(N(C)C)nc3)nn1)CC2,CBKWZECVLVGOQS-UHFFFAOYSA-N
rxn:1:48563:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4nnnn4c4sc5c(c34)CC(C)(C)N(C)C5)nn1)CC2,OMPUDTARMFCKQB-UHFFFAOYSA-N
rxn:1:48968:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4[nH]ccc4c3)nn1)CC2,BOFWVADLNCQFHG-UHFFFAOYSA-N
rxn:1:49012:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4oc(N)nc4c3)nn1)CC2,ICLLQHIGWXUKPV-UHFFFAOYSA-N
rxn:1:58999:29803,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5cccnc5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,WXGXJSQWOPWBIR-XJYHUPRJSA-N
rxn:1:58999:30093,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(C(=O)c5cncc(F)c5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,IGBFGBBPOGAHLW-RHUUNKRASA-N
rxn:1:58999:30329,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(Cc5nccs5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,AOYUZVXBDQBILP-KSPRRFDKSA-N
rxn:1:58999:30472,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5ccc(F)cn5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,BKRCEQIHBYKHOR-GCNJICNCSA-N
rxn:1:59331:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3cnc4cnccn34)nn1)CC2,UOUNFDIWYFBJCI-UHFFFAOYSA-N
rxn:1:59595:30436,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cnco5)CCCOc5ccccc56)nn4)s3)C2)OC1(C)C,PMOMJRNNKYGPEG-ZUKKLESISA-N
rxn:1:60009:30135,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)c3cc[nH]n3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,NOJUFIUZQLCXKL-KVCPSCCISA-N
rxn:1:60009:7642,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(COc3cc4c(cc3N=Nc3ccc5c(c3)OCCOCCOCCOCCO5)OCCOCCOCCOCCO4)nn2)NC(=O)Cc2ccccc2CN1,RGFONAPVXGOSPM-NQZXEYKBSA-N
rxn:1:60224:30256,CN1CC2(CCCN(C(=O)CC3CC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,XGRKTLABCRRLOR-UHFFFAOYSA-N
rxn:1:60224:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,CIXOLWQMMKDYBL-UHFFFAOYSA-N
rxn:1:60224:30848,Cc1ncncc1C(=O)N1CCOCCOc2ccccc2C(=O)N(C)C(C2CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CC1,BYJKTPNGGMCPPX-UHFFFAOYSA-N
rxn:1:60224:30875,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CN(C)C(=O)c2ccnn2CC2(CC2)C1,LTWHSGAUZZQKAT-UHFFFAOYSA-N
rxn:1:60224:30940,CN1CC2(CCCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)C2)CCCN(C(=O)C2CC(F)(F)C2)CCCCn2nccc2C1=O,OFGPCAFOZCVSMG-UHFFFAOYSA-N
rxn:1:60475:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c7c(ccc6[nH]5)C(=O)c5ccccc5C7=O)c4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,URLTUBKDASEIEI-UHFFFAOYSA-N
rxn:1:61067:29884,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ncccn5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,XCVOKQXWFCPZOS-TZGRDLBZSA-N
rxn:1:61067:29988,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cccnc5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,ITPCXYIOXYLNLT-WTBXTCDKSA-N
rxn:1:61067:30087,CC12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(C(=O)c5cc[nH]n5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,WSMZRBHEKOESNZ-UHFFFAOYSA-N
rxn:1:61067:30389,CN1CC2(CCCN(C(=O)c3cnccn3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,ZBQNJRYVSODJAH-UHFFFAOYSA-N
rxn:1:61636:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,HHZRQEFQFMICJR-WDZRAGPMSA-N
rxn:1:61636:30756,CN1CC2(CCCN(C(=O)CC3CCCC3)CCCn3cc(cn3)C1=O)CCCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)C2,BXRNSATZIYCPIW-RMLCSYPUSA-N
rxn:1:62024:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4[C@@H]4O[C@H](CO)[C@H](O)C4O)nn3)CC2)CC1,POTLIKPHJZEARL-CCNMLGNCSA-N
rxn:1:62112:29948,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6ccccc6OCCN(Cc6ccc8nccnc8c6)CCCNC7=O)nn5)C4)cc3C2=O)C(=O)N1,RMDYCIKBCZOYBM-MIBOQBGUSA-N
rxn:1:62241:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc5c(N)ncnc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)nn2)CC3)cn1,CIGBVEUZPMVPOW-DFOKCWARSA-N
rxn:1:63168:30620,COC(=O)c1nc(I)cnc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,XTTPJXLMGZYVRS-UHFFFAOYSA-N
rxn:1:63430:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(N)ncc(Br)c5C)C4)nn3)CC2)CC1,RJBTXIJLHYMCMX-UHFFFAOYSA-N
rxn:1:64595:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,NHHZPQOPJYULCA-UHFFFAOYSA-N
rxn:1:64669:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-c5nnn[nH]5)cc4)C3)nn1)CC2,BXTOJSWNXNQVEK-UHFFFAOYSA-N
rxn:1:64674:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)cc5)C4)nn3)CC2)N1,HSACSMQWQHYQNQ-UHFFFAOYSA-N
rxn:1:64736:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC(=O)N5N=C6C(=Cc7ccc(F)cc7)CCCC6C5c5ccc(F)cc5)nn4)CC3)CC2)co1,HVNYMGMEDQZUPQ-UHFFFAOYSA-N
rxn:1:65387:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccnn5Cc5ccc(Br)cc5)C4)nn3)CC2)N1,FPRVCGZHOLRYQE-UHFFFAOYSA-N
rxn:1:44403:30875,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CN(C)C(=O)c2ccnn2CC2(CC2)C1,IPFYYWNVANLTMA-ACQUAREYSA-N
rxn:1:47859:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3cnc(N)c(C(=O)O)n3)nn1)CC2,GCFZRTGCGIGBNS-UHFFFAOYSA-N
rxn:1:48641:30785,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC6(CCCN(C(=O)c7ccc(C)nc7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,SWYBAFKCDATXSW-PHUPCKOASA-N
rxn:1:48737:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cc(N)cc(Cl)c3)nn1)CC2,CGZMFHPQLULLRV-UHFFFAOYSA-N
rxn:1:49114:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4c(Cl)ncnc4c3)nn1)CC2,BBWGHWVVYLOHII-UHFFFAOYSA-N
rxn:1:49125:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc5cccnc5cc4F)nn3)CC2)CC1,USCYJSAZTDQKGT-UHFFFAOYSA-N
rxn:1:49161:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cccc4[nH]c(=O)oc(=O)c34)nn1)CC2,KXQMREQTHXZSBF-UHFFFAOYSA-N
rxn:1:58999:29823,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ccn7ccnc7c5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,BYCIOOARSBGENI-SHACKKLVSA-N
rxn:1:58999:29882,Cc1csc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)c3ccccc3OCC2)n1,XMYAAMLZKJZMMM-YGFFNFMGSA-N
rxn:1:58999:29883,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccn7ccnc7c5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,QALKSLVTQUNGJC-SHACKKLVSA-N
rxn:1:58999:29888,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5cc(C#N)ccc5F)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,QTDMBPSLNXBQIQ-ZRBRMKENSA-N
rxn:1:58999:29899,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ncccc5F)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,VZRZSIDQLKLRNM-BOEFXDODSA-N
rxn:1:58999:29968,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5nccs5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,VMMIEGCKNJSWDL-RXTHEHQTSA-N
rxn:1:58999:30353,Cc1ncccc1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,DWLYNSVRLILCRS-ZSWNYLIQSA-N
rxn:1:59592:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(Cc5ccc(C(=O)N6CCC(=C(F)B7OC(C)(C)C(C)(C)O7)CC6)o5)nn4)CC3)CC2)co1,ONGOKMNGKQQMRE-UHFFFAOYSA-N
rxn:1:60009:30249,Cc1cc(F)cc(C)c1C(=O)N1CCCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,CRLDDQHWIINIRL-UTVRUGRBSA-N
rxn:1:60224:29892,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(C(=O)N3CC[C@H]5C[C@@H]3C(=O)NCCCN(C3CCN(c6ncccn6)CC3)CCOc3ccccc35)nn2)CC4)cn1,DKEWBOJYSODVCM-GFRJDYCWSA-N
rxn:1:60224:30042,Cc1ncsc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)[C@H](C2)C(=O)NCC1,RBURMFALDYJGFN-LUPQGNFSSA-N
rxn:1:60224:30249,Cc1cc(F)cc(C)c1C(=O)N1CCCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,UMHYZIURPINXEU-UHFFFAOYSA-N
rxn:1:60391:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CC2,DQIZFZZLTNEPMW-UHFFFAOYSA-N
rxn:1:60446:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(C)(=O)=O)ccc5o4)c3)nn1)CC2,MJGNXVNXJPCYTN-UHFFFAOYSA-N
rxn:1:60456:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(S(N)(=O)=O)ccc4o3)nn1)CC2,VKAOCQAAUGBPBX-UHFFFAOYSA-N
rxn:1:60457:30668,NS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccncc7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,WUUGDJNSANRCDI-UHFFFAOYSA-N
rxn:1:60560:30907,N=C(Sc1ncccn1)C(F)(F)c1ccccc1-n1cc(C(=O)N2CCC(C3CCN(C(=O)c4cncc(F)c4)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1,SJAPIAPUSLKXMP-UHFFFAOYSA-N
rxn:1:61067:29826,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ccncc5F)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,JXTPQNFDEREIOS-XXKDCVESSA-N
rxn:1:61067:29930,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5ccon5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,DWVKGWNXGRUBLG-IGBXJPMQSA-N
rxn:1:61067:30005,Cn1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C3)c3ccccc3OCC2)n1,GUHSNHJNLOJPOS-VFXLHSOOSA-N
rxn:1:61632:30835,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccon2)CCC(C2CCN(C(=O)c3cn([C@@H]4[C@H](Oc5ccc([N+](=O)[O-])cc5Cl)O[C@H](CO)[C@H](O)[C@@H]4O)nn3)CC2)N1,NQXZAXAGMNCOLG-TWPVSEGWSA-N
rxn:1:61650:30583,Cc1cc2n(n1)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(CCc3c4oc(=O)cc(C)c4cc4c(CN)c(C)oc34)nn2)CCO1,ZHMKYFNAEFJMFW-UHFFFAOYSA-N
rxn:1:62103:30723,O=C1CCC(N2C(=O)c3ccc(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,XUOBQBVCZOYWOF-UHFFFAOYSA-N
rxn:1:62112:30734,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,GTMITDJDVXETSY-UHFFFAOYSA-N
rxn:1:62112:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,MAFLWURFWFLTFK-UHFFFAOYSA-N
rxn:1:62117:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)C1=O,WGDDJPKQDLJDGY-IRZVIENTSA-N
rxn:1:62271:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)CC2)CC1,JLGMZOTVHULNCI-UHFFFAOYSA-N
rxn:1:62272:30708,CCCC(=O)N1CCCC2(CCN(C(=O)c3cn(C4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,FUBHUMPGZIKJIE-UHFFFAOYSA-N
rxn:1:64279:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5[nH]ncc5-c5ccccc5Br)C4)nn3)CC2)N1,HWQUMJUPZIPHNQ-UHFFFAOYSA-N
rxn:1:64613:30488,CN1CC2(CCCN(Cc3cnc4ccccn34)CCCCOc3ccccc3C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)c(F)c4)C3)nn1)CC2,KCCAANXVDGOLDV-UHFFFAOYSA-N
rxn:1:65095:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(-c6cccc(Br)c6)no5)C4)nn3)CC2)N1,ZSDKBCHTSCYKSK-UHFFFAOYSA-N
rxn:1:65096:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(-c6cccc(Cl)c6)n[nH]5)C4)nn3)CC2)N1,JBABQTDMFSSTRQ-UHFFFAOYSA-N
rxn:1:65289:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6cccc(CN7CCCCC7)c6)C5)nn4)CC3)CC2)co1,KQDONCGHSNAGLI-UHFFFAOYSA-N
rxn:1:43563:30907,CN1CCN(c2ccc(C#CCn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)cc2)CC1,YTCLEOUVZORFFG-UHFFFAOYSA-N
rxn:1:48056:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc(-n5ccnc5S)cc4)nn3)CC2)CC1,MJSOKJXQOLASRT-UHFFFAOYSA-N
rxn:1:48113:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc(N5CCN(C)CC5)cc4)nn3)CC2)CC1,KKTUODODMMHDKR-UHFFFAOYSA-N
rxn:1:48127:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4oc(=O)c(C(=O)O)cc4c3)nn1)CC2,XFJREDQADNDSCO-UHFFFAOYSA-N
rxn:1:48530:30620,Cc1nc(N)sc1C(O)C(O)CCn1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)c(Cl)c4)CCCOc4ccccc4-c4cncc(c4)C(=O)N(C)C3)CC2)nn1,KJHWUQSCFWJKGY-UHFFFAOYSA-N
rxn:1:49461:30620,CCn1cc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2)nc1C,NSBKMKQZMSWUIR-UHFFFAOYSA-N
rxn:1:58999:30005,Cn1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C3)c3ccccc3OCC2)n1,GUHSNHJNLOJPOS-BXIJDMNXSA-N
rxn:1:58999:30067,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@@H]6C[C@H](C5)c5ccccc5OCCCN(C(=O)c5cccnc5)CCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,UICGFZMZSKJMCO-GIAMTZQHSA-N
rxn:1:58999:30358,COc1ccc(CN2CCCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)CC3)CN(C)C(=O)c3ccnn3CC2)cn1,HOIZRLAHZSIEQY-SZGCPBDOSA-N
rxn:1:59506:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCCCc4ccc5ncnc(N)c5c4)nn3)CC2)CC1,JQQQHTICCAQNQF-UHFFFAOYSA-N
rxn:1:60224:25081,Cc1cccc2c1N(Cc1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)C(=O)C21CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12,DDPKXZYWLLHOQR-UHFFFAOYSA-N
rxn:1:60224:30132,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(C(=O)N3CC[C@@H]5C[C@H]3C(=O)NCCCN(C(=O)c3cnccn3)CCCOc3ccc(C6CC6)cc35)nn2)CC4)cn1,SDXPBAOPAHPXJB-YOOWCYLZSA-N
rxn:1:60334:30628,CC1(C)Cc2c(sc3nc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)nc(NCc4ccccc4)c23)CO1,RJWBZXSNTWEMHW-UHFFFAOYSA-N
rxn:1:60390:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)CC1,QNEHQEAOBUFJDD-UHFFFAOYSA-N
rxn:1:61067:30105,CN1CC2(CCCN(C(=O)c3cc[nH]n3)CCn3nccc3C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,XUOFZRIFPNQYGV-UHFFFAOYSA-N
rxn:1:61067:30296,COc1ncc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C(C3)c3ccccc3OCC2)cn1,DJJYLCGMOACRKP-UHFFFAOYSA-N
rxn:1:61067:30888,Cc1nc(C(=O)N2CCCC3(CN(C)C(=O)c4cnn(c4)CC2)CN(C(=O)c2cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn2)CCO3)co1,KSGCMHYQAXXATA-UHFFFAOYSA-N
rxn:1:61210:30620,Cc1noc(C)c1CC(=O)N1CC(n2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)C1,GXZWVTJANDTQPZ-UHFFFAOYSA-N
rxn:1:61482:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)s3)nn1)CC2,UWBBUXIMAVQCGI-UHFFFAOYSA-N
rxn:1:61714:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)c1ccccc12,WQFTXHAQMNVELW-IKKICXSKSA-N
rxn:1:62102:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,ZYHXTVSYONXAFN-UHFFFAOYSA-N
rxn:1:62112:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,RIPMDOYWDXEBHQ-UHFFFAOYSA-N
rxn:1:62114:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,BSVBBVRQZQRASE-UHFFFAOYSA-N
rxn:1:62114:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,BSGQGPQFOWYXGG-UHFFFAOYSA-N
rxn:1:62117:30690,O=C1CCC(N2C(=O)c3cc(F)c(N4CC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccccn8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,WTPIGAQDXLSBPE-UHFFFAOYSA-N
rxn:1:62130:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,KWDGVNBJDSTECH-UHFFFAOYSA-N
rxn:1:62136:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,HPPVTFOCNCRMOY-UHFFFAOYSA-N
rxn:1:62272:30233,CN1CC2(CCCN(C(=O)C3(c4ccccc4F)CC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,AHQUXPXJLMWRQB-UHFFFAOYSA-N
rxn:1:62272:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,ZVALLRZGAKOHRT-UHFFFAOYSA-N
rxn:1:63279:30850,COc1ccc(Br)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,LRLVHILQSDKQOF-UHFFFAOYSA-N
rxn:1:63501:30734,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ccc1N1CCOCC1,OAHMTPXQTWRSOH-UHFFFAOYSA-N
rxn:1:63765:30629,Cc1cc([N+](=O)[O-])cc(Br)c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,BFPNEDRYBWTOLG-UHFFFAOYSA-N
rxn:1:63997:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(CC5(N6CCOCC6)CCCCC5)C4)nn3)CC2)N1,JNSYZFXODUXZDG-UHFFFAOYSA-N
rxn:1:64364:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)cc(Cl)c(Br)c4F)C3)nn1)CC2,XWCOYISWUGVBHQ-UHFFFAOYSA-N
rxn:1:64595:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,PBRJGNBGRUJPOD-UHFFFAOYSA-N
rxn:1:64716:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)nc5)C4)nn3)CC2)N1,LCRHLHSDFYKCFN-UHFFFAOYSA-N
rxn:1:64776:13427,N#Cc1ccc(N2CC(Cn3cc(COc4ccc5ccccc5c4C=c4sc5n(c4=O)C(c4ccc(F)cc4)C4=C(N=5)c5ccccc5CC4)nn3)CC2=O)c(C(=O)O)c1,APGYWGMKLXXVJN-UHFFFAOYSA-N
rxn:1:65339:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(Oc6ncc(Br)cn6)c5)C4)nn3)CC2)N1,WTLNGKQUHXRDKS-UHFFFAOYSA-N
rxn:1:44403:30142,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cccnc6)CCCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CHFNEKXQNNIFOC-WBEHTSQFSA-N
rxn:1:48115:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc([N+](=O)[O-])c4cnccc34)nn1)CC2,ZGBMSDMUKYSHAU-UHFFFAOYSA-N
rxn:1:48909:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3c(F)ccc(N)c3F)nn1)CC2,ZIKIBCSQIACHLL-UHFFFAOYSA-N
rxn:1:49119:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5nc[nH]c(=O)c5c4)nn3)CC2)CC1,JGRWZBQOCNVBPV-UHFFFAOYSA-N
rxn:1:49448:30181,Cc1nn2c(C)c1CN(Cc1ccnc3ccccc13)CCN(C(=O)c1cn(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CCNC(=O)c1cccc(c1)OCCC2,CMULKOPTVGQXGR-UHFFFAOYSA-N
rxn:1:50974:30868,COc1cc(Br)c(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)cc1OC,NNFWPRAAILRBND-UHFFFAOYSA-N
rxn:1:58999:29976,Cc1csc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C3)c3ccccc3OCC2)n1,UVZJEMBXOHPKHE-IUMDTKNMSA-N
rxn:1:58999:30008,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)C5CCC5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,BPVHADQMKNJERJ-LXSIMOHZSA-N
rxn:1:58999:30129,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCCN(C(=O)c5cscn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,UTUIYWXLWKDJBY-PIPMCUBVSA-N
rxn:1:58999:30167,Cc1nc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)c3cc(C4CC4)ccc3OCCC2)co1,TYPQWQBFISSJSQ-RMHRLISTSA-N
rxn:1:58999:30193,COc1ncc(CN2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,RYHMVAVRWHHKPT-NVSMLLOHSA-N
rxn:1:58999:30504,CC(=O)N1CCCOc2ccccc2C(=O)NCC2(CCCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)CC1,HBTZNVQJNXFJRR-YKNLNOHHSA-N
rxn:1:58999:30628,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,ZDVVFQILHKVYQS-ROYLWDBCSA-N
rxn:1:58999:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn2)CC3)cn1,UBIGVEWSRITYAP-KYDPUGKQSA-N
rxn:1:59676:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4cn([C@@H]5O[C@H](CO)[C@@H](O)[C@@H]5O)c(=O)[nH]c4=O)nn3)CC2)CC1,OIFDEDLQBZEHJC-RKWCPXGSSA-N
rxn:1:60009:28975,Cc1sc2nc(SCc3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)nc(-n3[se]c4cccnc4c3=O)c2c1C,NKAULJQUGXKJOI-XFCANUNOSA-N
rxn:1:60224:30186,Cc1nn2c(C)c1CN(Cc1ccc(F)cc1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,OJABAUPPGZXIIY-UHFFFAOYSA-N
rxn:1:60452:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7cc(S(=O)(=O)O)ccc7o6)c5)nn4)CC3)CC2)co1,DOQNYPFVSPEFFY-UHFFFAOYSA-N
rxn:1:60957:30620,Cc1cn([C@H]2C[C@H](n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1O,CWZBOXHCTFWMOR-WNUPKGMASA-N
rxn:1:61067:29949,Cn1cc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C3)c3ccccc3OCC2)cn1,NXVGMYYTQKPPAS-DQKLJRNHSA-N
rxn:1:61565:30162,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)C6CCOCC6)CCCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,SHTORTMBQSTIOE-ABCRHKJISA-N
rxn:1:61616:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(N)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CC1,MWHCTJPGLMXLBL-PHUITYRESA-N
rxn:1:61636:30899,CN1CC2(CCCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)C2)CCCN(C(=O)c2ccn(C)n2)CCCCn2nccc2C1=O,YPADFEVAOZVRIR-HDMBIGBZSA-N
rxn:1:62052:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)C2)C1=O,JWJFFFCDFOIMJE-BTUOWTLUSA-N
rxn:1:62110:30628,CN(CCn1cc(C(=O)N2CCC(C3CCN(C(=O)c4cnccn4)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1)c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O,GZALMYYZZIAKOT-UHFFFAOYSA-N
rxn:1:62113:30774,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,GEPJLCXTSRYHOB-UHFFFAOYSA-N
rxn:1:62117:30130,Cc1ncsc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,QPRVDNIBESSGGY-BIHKVZLISA-N
rxn:1:62117:30132,O=C1CCC(N2C(=O)c3cc(F)c(N4CC(Cn5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cnccn6)CCCOc6ccc(C8CC8)cc67)nn5)C4)cc3C2=O)C(=O)N1,COAANJJBAQGURV-OIKRGQOKSA-N
rxn:1:62117:30173,Cc1ocnc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,YJWGIVQAQDVAJI-BIHKVZLISA-N
rxn:1:62117:30228,CN1CC2(CCCN(C(=O)CC3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,OYYRCPRGPBKRTQ-UHFFFAOYSA-N
rxn:1:62775:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(C(C(=O)O)c5cccc(Br)c5)C4)nn3)CC2)CC1,WJSRBRAHRXBZRY-UHFFFAOYSA-N
rxn:1:63080:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cc5)C4)nn2)CC3)cn1,QCACTFSGUNIBLW-UHFFFAOYSA-N
rxn:1:64925:30635,N#Cc1cnn(-c2ccc(Br)cc2)c1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccc(F)cc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,JKNOCMKHJVZODX-UHFFFAOYSA-N
rxn:1:65027:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)sc5ncccc45)C3)nn1)CC2,DWJINQBPWNVRAL-UHFFFAOYSA-N
rxn:1:39926:30923,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,UMRAWGXIGPXBGS-UHFFFAOYSA-N
rxn:1:42385:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC#Cc4ccc(F)c(Cl)c4F)nn3)CC2)CC1,XMYXLNPMRUUZBF-UHFFFAOYSA-N
rxn:1:44403:24446,Cc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)c4ccccc43)C3=C2CC(C)(C)CC3=O)cc1,NRRYSTLZQCYKAR-BHYHRNJISA-N
rxn:1:44403:30240,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCOCC8)CCCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CIIUUDOXKTXQEM-NGTOSEEMSA-N
rxn:1:46345:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC=Cc3ccc(S(N)(=O)=O)cc3)nn1)CC2,WVWVAZANGGRNBZ-UHFFFAOYSA-N
rxn:1:48128:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4oc(C(=O)O)cc(=O)c4c3)nn1)CC2,RYRNIZPBRMVLFT-UHFFFAOYSA-N
rxn:1:48574:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)NC=NC4N)nn1)CC2,DNXCOPJFXHJKNX-YQLSLTJNSA-N
rxn:1:48700:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc(N)c(Cl)n3)nn1)CC2,CGUHNZCBOYYSND-UHFFFAOYSA-N
rxn:1:49596:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO)nn3)CC2)CC1,HVHDQNOIPYSYAB-FCLGKOHNSA-N
rxn:1:58999:30511,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCCC6(CCN(C(=O)c7cnccn7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,FTZNMPHPNIAZSJ-JMFMBOTMSA-N
rxn:1:59597:30890,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1ccc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5coc(C)n5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)cc1,TWGWVXFMBXDMEM-UHFFFAOYSA-N
rxn:1:60009:29929,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(Cc5ccncc5F)CC5(CC5)COc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,KENAXKVDVVJQML-YQZOKAAQSA-N
rxn:1:60009:30225,Cc1cc(C)cc(C(=O)N2CCCCOc3ccccc3C(=O)NCC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)c1,JZEXCIWDQFCMIC-ALKIKZFASA-N
rxn:1:60009:30809,Cc1cccc(C(=O)N2CCOCCOc3ccccc3C(=O)N(C)C(C3CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CC2)c1,WUURQZIYKHBTEA-ZXCRDAOVSA-N
rxn:1:60009:30862,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2ccnn2CC2(CC2)C1,POLUTQMOXXJEJY-XYFKDZRBSA-N
rxn:1:60224:9883,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C(c5c(-c6ccc(Cl)cc6)[nH]c6c5c(=O)[nH]c(=O)n6C)c5ccccc53)nn2)CC4)cn1,MVNVATWEJQIFAU-UHFFFAOYSA-N
rxn:1:60391:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CC2,IBBNONNLLQUORG-UHFFFAOYSA-N
rxn:1:60406:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc([N+](=O)[O-])ccc5o4)c3)nn1)CC2,ULKAIGDMTLRFPR-UHFFFAOYSA-N
rxn:1:61067:29964,Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)C2)c2ccccc2OCC1,XCKFFEUGOJIZJI-LLTBCOACSA-N
rxn:1:61067:29987,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cscn5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,YUXXJVHBNNPGNK-IGBXJPMQSA-N
rxn:1:61067:30071,CC12Cc3cnc(-n4cc(C(=O)N5C[C@@H]6C[C@H](C5)c5ccccc5OCCCN(C(=O)c5cc[nH]n5)CCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,NHHRSPXFECPEPS-GXTMZHEESA-N
rxn:1:61067:30502,CC(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CCO2,WCERXUFLPPVPMQ-UHFFFAOYSA-N
rxn:1:61482:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)s3)nn1)CC2,GPBDCTLATXOQKE-UHFFFAOYSA-N
rxn:1:61565:30857,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CC8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MGIDTPAAAPZLLY-AELQVQRHSA-N
rxn:1:61632:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@@H]4[C@H](Oc5ccc([N+](=O)[O-])cc5Cl)O[C@H](CO)[C@H](O)[C@@H]4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,CYXNZFQILGPOAL-YYGURDAOSA-N
rxn:1:61924:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,OLTBQSYCLXWQIL-UHFFFAOYSA-N
rxn:1:62102:30729,CN1CC2(CCCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)C2CCCC2)CCCCn2nccc2C1=O,YHOMKNPCUCZPHN-UHFFFAOYSA-N
rxn:1:62107:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FKTWEWSOOKAMDZ-UHFFFAOYSA-N
rxn:1:62107:30734,O=C1CCC(N2C(=O)c3ccc(N4CC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,UIRDEHPREBRXJS-UHFFFAOYSA-N
rxn:1:62112:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,FSTLMZGRSJMRLB-UHFFFAOYSA-N
rxn:1:62115:30791,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccccc8F)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,NGLUBCMWKVSJGE-UHFFFAOYSA-N
rxn:1:62117:30342,N#Cc1ccc(F)c(CN2CCCOc3ccccc3C(=O)NCC3(CC2)CCN(C(=O)c2cn(CC4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)c1,PWEGIHOPLNOFSW-UHFFFAOYSA-N
rxn:1:62360:30690,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)ccc1-2,VAUDCUYWKPKATN-UHFFFAOYSA-N
rxn:1:63081:30463,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(N7CCN(C)CC7)cn6)C5)nn4)CC3)CN(C)C(=O)c3ccccc3OCC3(CC3)C2)co1,QYGQESVGDYNVDM-UHFFFAOYSA-N
rxn:1:63300:30850,COc1cccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1Br,AVKAHZZLZCDSAW-UHFFFAOYSA-N
rxn:1:63543:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)CN5CCCCC5)cc4)nn3)CC2)N1,CSOKKGYBMGHHBD-UHFFFAOYSA-N
rxn:1:64848:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc([N+](=O)[O-])cc4C(=O)O)C3)nn1)CC2,PQCNGBXDSCMFNO-UHFFFAOYSA-N
rxn:1:64859:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,CXLJLDZXWUUMEY-UHFFFAOYSA-N
rxn:1:65414:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(-c6ccc(Br)cc6)cs5)C4)nn3)CC2)CC1,LZZJYUMQQMYJKT-UHFFFAOYSA-N
rxn:1:44403:30080,Cc1nc(C(=O)N2CCCOc3ccccc3[C@@H]3C[C@@H](CN(C(=O)c4cn([C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)C3)C(=O)NCC2)co1,NKCITSABHFKJRQ-YOCZQHGHSA-N
rxn:1:44403:30443,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6ccon6)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,FWJLBVLQQZJBCX-IPQMFUJOSA-N
rxn:1:48024:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4c(c3)NC(=O)CO4)nn1)CC2,PLFGJJHWQXMMFI-UHFFFAOYSA-N
rxn:1:48603:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc(N)nn3)nn1)CC2,KUHRCKSOYMZAJN-UHFFFAOYSA-N
rxn:1:48922:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc(N)c(Cl)c4Cl)nn3)CC2)CC1,KFUPVCLSFOXTAG-UHFFFAOYSA-N
rxn:1:48982:30829,Cc1ccc(S(=O)(=O)O[C@@H]2CCC3C4CC[C@H]5C[C@@H](n6cc(C(=O)N7CCC8(CCCN(C(=O)c9cnco9)CCCOc9ccccc9-c9cncc(c9)C(=O)N(C)C8)CC7)nn6)CC[C@]5(C)C4CC[C@@]32C)cc1,GZFMHGROWKRNAM-DNMAKZJCSA-N
rxn:1:49126:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc5ccccc5nc4Cl)nn3)CC2)CC1,SOSUIGHIAHMMRF-UHFFFAOYSA-N
rxn:1:58999:29885,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5cnc7ccccn57)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,COCHQFQIHJQIIE-FLIRHDHVSA-N
rxn:1:58999:30188,Cc1cccc(CN2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)n1,UUFBUNOMYSYITP-ZIDMWATPSA-N
rxn:1:58999:30298,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(Cc5cncc(F)c5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,VTJXUSWDRRCPST-RZLHBFAXSA-N
rxn:1:58999:30390,Cn1nccc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCCC1,SPANJCWUGXPBKV-KCHKQAKISA-N
rxn:1:58999:30392,Cn1nccc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCC1,DMTDYGDPVVPTGN-AWZMDEPTSA-N
rxn:1:59518:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCCCc4cc(Cl)c5cccnc5c4O)nn3)CC2)CC1,QLKRWHJROSLNID-UHFFFAOYSA-N
rxn:1:59595:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(Cc5ccc(C(=O)N6CCC(=C(F)B7OC(C)(C)C(C)(C)O7)C6)s5)nn4)CC3)CC2)co1,UPTRFWVHAMBPDT-UHFFFAOYSA-N
rxn:1:59699:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)CC2)CC1,QLRHMMGLRWTHEJ-BCYXCRKESA-N
rxn:1:60009:30602,CN1CC2(CCCN(C(=O)c3cscn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,MXXMSKCVMUFWAC-YQZOKAAQSA-N
rxn:1:60144:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)nn1)CC2,DIWKEZVYRRIMEH-VQALGTGMSA-N
rxn:1:60224:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)C2)C1=O,VJHYEQBFSMMYQG-KLESUSOLSA-N
rxn:1:60224:30457,Cc1cnccc1C(=O)N1CCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,IEORTVJOCZJFNK-UHFFFAOYSA-N
rxn:1:60413:30829,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cnco7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,YEULMXLIMXLCIL-UHFFFAOYSA-N
rxn:1:61067:29836,Cn1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)c3ccccc3OCCC2)n1,GZVLHGOQYDTEIF-CYUQXHMYSA-N
rxn:1:61067:30032,CC12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ncccc5F)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,PQOAOVUQRUIOBN-RBEMZVAOSA-N
rxn:1:61067:30604,Cc1cc2n(n1)CCCN(C(=O)c1cscn1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)CCO1,UPXISJHXOFOXJG-UHFFFAOYSA-N
rxn:1:61464:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCCCC4)s3)nn1)CC2,IQSKNXOXJCOJSL-UHFFFAOYSA-N
rxn:1:62105:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,JBICCBJWSJKJFP-UHFFFAOYSA-N
rxn:1:62113:29929,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC7(CCCN(Cc8ccncc8F)CC8(CC8)COc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,FBJFDONWVLSSHZ-UHFFFAOYSA-N
rxn:1:62113:30132,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cnccn6)CCCOc6ccc(C8CC8)cc67)nn5)C4)cc3C2=O)C(=O)N1,ULFFEXIKJGCTDV-MRKKGBBMSA-N
rxn:1:62114:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,IENYKTNGPFXTKN-UHFFFAOYSA-N
rxn:1:62271:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5nc6c7ncnc6n5C5OC(COP(=O)(OP(=O)(O)O)OCC6OC(N7)C(O)C6O)C(O)C5O)nn4)CC3)CC2)c1,GMRHRQXETWIAND-UHFFFAOYSA-N
rxn:1:63080:30668,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccncc7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)cc2)CC1,DNBFSRKJSMIUFH-UHFFFAOYSA-N
rxn:1:63562:30850,Cc1cc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(C(=O)O)c1,GYOJTEPHJYDCPV-UHFFFAOYSA-N
rxn:1:63685:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5[nH]nc(-c6cccs6)c5C)C4)nn3)CC2)CC1,QICBJTVBOGVGEJ-UHFFFAOYSA-N
rxn:1:63909:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cccc6c5ccn6C)C4)nn2)CC3)cn1,FUFMJNZNHSRFKU-UHFFFAOYSA-N
rxn:1:64272:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(Cc5nnc6n5CCCCC6)C4)nn2)CC3)cn1,AXRRZXXGRFHXRH-UHFFFAOYSA-N
rxn:1:64508:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,GBEWJRZIBXXYJL-UHFFFAOYSA-N
rxn:1:65059:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(Cl)nc6ccc(Br)cc56)C4)nn3)CC2)CC1,VDXQGKTUUNVOGV-UHFFFAOYSA-N
rxn:1:65255:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-c5nnn[nH]5)c4)C3)nn1)CC2,GBQYLYNIULSYJL-UHFFFAOYSA-N
rxn:1:65339:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(Oc6ncc(Br)cn6)c5)C4)nn3)CC2)CC1,KURGZPQIXCYYKR-UHFFFAOYSA-N
rxn:1:65454:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc5c(s4)COCC5)C3)nn1)CC2,ZJQPUTQZKGYRAJ-UHFFFAOYSA-N
rxn:1:48131:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4ncc(C(=O)O)c(O)c4c3)nn1)CC2,GEMFNDJYAXMNMO-UHFFFAOYSA-N
rxn:1:48736:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc(N)cc3F)nn1)CC2,XQCQJQHKQQXBBR-UHFFFAOYSA-N
rxn:1:49281:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4c[nH]c5ncc(Br)cc45)nn3)CC2)CC1,BJPWNTJXNHXYBT-UHFFFAOYSA-N
rxn:1:49462:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,SLYBBOPQRRCLBA-WDZRAGPMSA-N
rxn:1:51082:30868,COC(=O)c1cc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)cnc1N,AXJVFWWVZJRBBI-UHFFFAOYSA-N
rxn:1:58999:30025,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cccnc5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,VKIOCTQBXOCRDZ-DZKWEUANSA-N
rxn:1:58999:30160,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCCN(C(=O)c5cccnn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,BBXMMYVCYBMONH-SUKCFJNKSA-N
rxn:1:60009:30126,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)c3cscn3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,VXSUKAXAPLCAGP-HCGKKMOFSA-N
rxn:1:60009:30220,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,MZIZYFWVHPXWLX-XYFKDZRBSA-N
rxn:1:60224:28130,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(-c3cnc5[nH]cc(-c6cccc7c6CCN7C(=O)C6CCCN6C#N)c5c3)nn2)CC4)cn1,VDKOPMYABQAHLJ-UHFFFAOYSA-N
rxn:1:60224:29833,Cc1cc2c(cc1CN1CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c3ccccc3OCCC1)OCO2,CUAWXPNZMPGIPJ-YOOWCYLZSA-N
rxn:1:60224:30205,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,MFYLKGIYAQCLBU-UHFFFAOYSA-N
rxn:1:60412:30512,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccnn6C)CC6(CC6)Cn6nc(C)cc6C(=O)N(C)C5)CC4)nn3)nc2c1,ZIDDYAYSTZHEIO-UHFFFAOYSA-N
rxn:1:60412:30601,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,FYTREIXQKNIPHC-UHFFFAOYSA-N
rxn:1:60527:30668,Cc1cc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[nH]c2cc1C,CSBJBGLLFNNNRK-UHFFFAOYSA-N
rxn:1:60632:30907,CC1(C)O[C@@H]2[C@H](O1)[C@@H](Cn1cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)O[C@H]2n1cnc2c(N)ncnc21,VUDKBPNOYXWJDH-XQQDXVKHSA-N
rxn:1:61474:30679,CN1CCCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cccnc6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,OQXCXCUEQMPUNZ-UHFFFAOYSA-N
rxn:1:61478:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)s3)nn1)CC2,IBJNKKSBLXGMEC-UHFFFAOYSA-N
rxn:1:61493:30613,CCN1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)s2)CC1,HEVFVZSDNKLZLB-UHFFFAOYSA-N
rxn:1:61565:30228,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCCCC8)CCCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,GPDPQGGXLADXTP-GSENFSIUSA-N
rxn:1:62075:25081,Cc1cccc2c1N(Cc1cn(CCCO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@H]7[C@H]([C@H](C)[C@H]8CC[C@H](C)CN87)[C@@]6(C)CC[C@@H]54)C3)nn1)C(=O)C21CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12,UCHHCRIBMAOEIP-MDJVWXQOSA-N
rxn:1:62101:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,CTHLZNBCUBTTBN-UHFFFAOYSA-N
rxn:1:62105:24499,N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,MMOPJSBVUUICMI-UHFFFAOYSA-N
rxn:1:62110:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,ZDRKQWZTSLDXBA-UHFFFAOYSA-N
rxn:1:62111:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,UCXSDBAAQYJJCG-UHFFFAOYSA-N
rxn:1:62115:30432,CN1CCCN(C(=O)C2CCC2)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)C1=O,RAOCGWZSJXXHAD-IXLFBECGSA-N
rxn:1:62116:24445,CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,XKUHMDAFAQHKNC-UHFFFAOYSA-N
rxn:1:62117:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,AMWMCMLIRPBFNL-UHFFFAOYSA-N
rxn:1:62271:30249,Cc1cc(F)cc(C)c1C(=O)N1CCCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,YPVFWWHDBSBDKP-UHFFFAOYSA-N
rxn:1:62337:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CN(C(=O)OC(C)(C)C)C5(CCOCC5)C4)nn3)CC2)CC1,PXWAEUQBIZVPMZ-UHFFFAOYSA-N
rxn:1:62360:30791,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccccc6F)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)ccc1-2,VPIPIABTLVJGKS-UHFFFAOYSA-N
rxn:1:62360:30793,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccccc6F)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)ccc1-2,LPCRYUSVMJJKCW-UHFFFAOYSA-N
rxn:1:62831:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N([C@H]5CCc6nc(N)sc6C5)C4)nn2)CC3)cn1,NPJXNUSOPIOACJ-IKAUJVHPSA-N
rxn:1:63562:30628,Cc1cc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(C(=O)O)c1,VAJSTYLVHMQHJF-UHFFFAOYSA-N
rxn:1:63579:30868,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)n(-c2ccc(F)cc2)n1,IIGOCUXTXXMLMM-UHFFFAOYSA-N
rxn:1:64101:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4cnco4)C3)nn1)CC2,YZJNEQJHAIDWJQ-UHFFFAOYSA-N
rxn:1:64671:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cc(Br)cn6)cc5)C4)nn3)CC2)CC1,ZPEGWIKUVHHBOZ-UHFFFAOYSA-N
rxn:1:64925:30630,CN1CC2(CCCN(C(=O)c3cnccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C#N)cnn4-c4ccc(Br)cc4)C3)nn1)CC2,TWFCUOOLASSKGA-UHFFFAOYSA-N
rxn:1:64938:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(Cl)ncc4I)C3)nn1)CC2,JGIUCZVGUIZCJT-UHFFFAOYSA-N
rxn:1:65091:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(-c6ccc(Br)cc6)no5)C4)nn3)CC2)N1,FNDKMCWYOJPJPC-UHFFFAOYSA-N
rxn:1:48982:30601,Cc1ccc(S(=O)(=O)O[C@@H]2CCC3C4CC[C@H]5C[C@@H](n6cc(C(=O)N7CCC8(CCCN(C(=O)c9cscn9)CCCOc9ccccc9-c9cncc(c9)C(=O)N(C)C8)CC7)nn6)CC[C@]5(C)C4CC[C@@]32C)cc1,RBWRHAHVZBOBQU-DNMAKZJCSA-N
rxn:1:58999:29828,COc1cncc(CN2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)[C@H](C3)C(=O)NCC2)c1,YNFLKPQKLHVESG-DHPDPFJVSA-N
rxn:1:58999:30441,CN1CC2(CCCN(C(=O)c3cnco3)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,URTXMVNTYMQGRU-ZQABVULNSA-N
rxn:1:58999:30564,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCCC6(CCN(C(=O)c7cnco7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,SQIDENHGUULMNL-OPUDWPCZSA-N
rxn:1:59845:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,UIRDUDKTVKLRDL-ISXMNXADSA-N
rxn:1:60009:30182,Cc1nn2c(C)c1CN(Cc1ccc(C#N)cc1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,JSWCIQWSZAHNPO-JFDROPRKSA-N
rxn:1:60224:30176,Cc1nn2c(C)c1CN(Cc1ccncc1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,NTWOOXSVDHLWRQ-UHFFFAOYSA-N
rxn:1:60224:30658,CN1CC2(CCCN(C(=O)C3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,GBMSWBKVZWUDIQ-UHFFFAOYSA-N
rxn:1:60224:30782,Cc1ccc(C(=O)N2CCOCCOc3ccccc3C(=O)N(C)C(C3CCN(C(=O)c4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)CC3)CC2)cn1,FSFOJVRMICTWAU-UHFFFAOYSA-N
rxn:1:60408:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(N)ccc6o5)c4)nn3)CC2)CC1,OLLZFQWLYRWUJA-UHFFFAOYSA-N
rxn:1:60412:30193,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCNC(=O)c5cccc(c5)OCCCn5nc(C)c(c5C)CN(Cc5cnc(OC)nc5)CC4)nn3)nc2c1,QIDPRSLEOGJZJR-UHFFFAOYSA-N
rxn:1:60483:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(C(=O)O)ccc5[nH]4)c3)nn1)CC2,WVCCCDVRXZWRCU-UHFFFAOYSA-N
rxn:1:61067:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc21,BCNXCQIWQOTCNK-UHFFFAOYSA-N
rxn:1:61635:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@H](Oc4ccc([N+](=O)[O-])cc4F)O[C@H](CO)[C@H](O)[C@@H]3O)nn1)CC2,SVNUFCUOWMUZHR-SPLSJWDPSA-N
rxn:1:61636:30255,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,PCFZLBQYWALSLH-NZZAPXTDSA-N
rxn:1:61714:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@H](N5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)nn1)CC2,FIUHLFJIRDSUFF-RORKFMLOSA-N
rxn:1:62077:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(Cc4ccc(-c5ccccc5-c5nnn[nH]5)cc4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,OHGAJEONEBHEHU-UHFFFAOYSA-N
rxn:1:62087:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,UIRDUDKTVKLRDL-BCRYCBLASA-N
rxn:1:62102:30635,O=C1CCC(N2C(=O)c3ccc(N4CCCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccc(F)cc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,FUJHUWGBLULNLA-UHFFFAOYSA-N
rxn:1:62105:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,HSIKNXZUFHYWOO-UHFFFAOYSA-N
rxn:1:62105:30685,CN1CC2(CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CCCCn3nccc3C1=O)CCCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)C2,OIVRLSHEIGBCAB-UHFFFAOYSA-N
rxn:1:62115:24446,Cc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)c4ccccc43)C3=C2CC(C)(C)CC3=O)cc1,SOXPJRYEZKNJRF-UHFFFAOYSA-N
rxn:1:62115:30244,COc1ccccc1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IUOFOLPTBRLGNP-UHFFFAOYSA-N
rxn:1:62115:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,OZWSJLRTDLHDCE-UHFFFAOYSA-N
rxn:1:62116:30202,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,UPAWZHAZRVLSPD-UHFFFAOYSA-N
rxn:1:62116:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XQKWPOALOODABO-UHFFFAOYSA-N
rxn:1:62117:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2c(Br)cc(Cl)cc21,SBDNQEJPDRJSIT-UHFFFAOYSA-N
rxn:1:62239:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,UIRDUDKTVKLRDL-DYQMZTAHSA-N
rxn:1:62271:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,OEELMQWXPFCAEA-UHFFFAOYSA-N
rxn:1:62360:30734,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)ccc1-2,VUUFHSMINJXWPM-UHFFFAOYSA-N
rxn:1:63229:30850,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Cl)cc1Cl,ITUQYONGEMYKTN-UHFFFAOYSA-N
rxn:1:63647:30850,Cc1nc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ccc1I,GFPPLTZCJWRQPO-UHFFFAOYSA-N
rxn:1:64102:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4cncs4)C3)nn1)CC2,MFIGXACGTDEBFG-UHFFFAOYSA-N
rxn:1:64309:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(F)ccc(Br)c4C(=O)O)C3)nn1)CC2,ZREFIMLVLKTIFM-UHFFFAOYSA-N
rxn:1:64423:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(N)nc(S)nc4O)C3)nn1)CC2,FEESMSDYPIBKKJ-UHFFFAOYSA-N
rxn:1:64595:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,UAGRAXQSKUZFDR-UHFFFAOYSA-N
rxn:1:64927:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C#N)cnn4-c4ccccn4)C3)nn1)CC2,YUPAGBYJJNMDMA-UHFFFAOYSA-N
rxn:1:65290:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(CN6CCOCC6)c5)C4)nn3)CC2)N1,GTOSKKVXEXZJBM-UHFFFAOYSA-N
rxn:1:65422:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(-c6ccc(Br)s6)cs5)C4)nn3)CC2)CC1,RDDDLIFGOKFUMY-UHFFFAOYSA-N
rxn:1:44403:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CC1,BEBCVGKMRFIRRZ-DCMCZWTESA-N
rxn:1:44985:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC#Cc4ccc(S(N)(=O)=O)c(Cl)c4)nn3)CC2)CC1,HGMGNFUPCVQPNX-UHFFFAOYSA-N
rxn:1:48641:30647,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC6(CCCN(C(=O)c7ccnn7C)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,KETXUJGRENYANM-ZKRUZRBCSA-N
rxn:1:59723:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(C(=O)NC4CCOCC4)CC3)nn1)CC2,BWCHWGHSYAENIV-UHFFFAOYSA-N
rxn:1:60009:29927,N#Cc1ccc(F)c(CN2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)c1,YUYRQTMRCBYGRT-ALKIKZFASA-N
rxn:1:60009:30417,CN1CC2(CCCN(C(=O)c3ccc(F)c(F)c3)CC3(CC3)COc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,DXNRTRJZQGWNDH-UTVRUGRBSA-N
rxn:1:60009:30699,CN1CC2(CCCN(C(=O)c3ccccc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,HWTOAUWFBGPIAG-JFDROPRKSA-N
rxn:1:60009:30884,Cc1cnccc1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)CCC1,QVYXJSSOKABYHC-CPPLMDTMSA-N
rxn:1:60249:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cc(C(F)(F)F)cc5c(=O)nc(N6CCC7(CC6)OC[C@H](C)O7)sc45)nn3)CC2)CC1,BKHAMPWSRGUXQW-GFDSEFBSSA-N
rxn:1:60413:30620,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7ccc(Cl)c(Cl)c7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,FUTASADRPGWVEA-UHFFFAOYSA-N
rxn:1:60414:30629,COC(=O)c1ccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)oc2c1,JWKXXFFKLBQVRM-UHFFFAOYSA-N
rxn:1:60629:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@@H](N5)C(O)[C@H]4O)[C@H](O)C3O)nn1)CCNC(=O)c1cccc(c1)OCCC2,XTVRAOLJDRKQKZ-JJPOVOIPSA-N
rxn:1:61067:29880,Cc1noc(C)c1CN1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCC1,AUAFFYNJKKZUSB-WKOPKZIFSA-N
rxn:1:61067:29882,Cc1csc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)c3ccccc3OCC2)n1,XMYAAMLZKJZMMM-TZGRDLBZSA-N
rxn:1:61067:29894,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5cnn7ccccc57)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,PRFCSOCNESKMTA-PTHHXMOJSA-N
rxn:1:61067:29897,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccc(Cl)cn5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,RPQIRZHFTUZVJO-RZXQBGFDSA-N
rxn:1:61067:30031,CC12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ccc(F)cn5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,QCMUKXCPNHSPAN-GZARBWSPSA-N
rxn:1:61067:30129,CC12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCCN(C(=O)c5cscn5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,UTUIYWXLWKDJBY-LLTBCOACSA-N
rxn:1:61478:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)s3)nn1)CC2,YGEXIKYRGSDXQN-UHFFFAOYSA-N
rxn:1:61636:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,QRUMLGAKMZLBGS-POQUMROWSA-N
rxn:1:61714:30195,COc1ccc(CN2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,NMMMPNLRHANONL-BQDXTCONSA-N
rxn:1:62103:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,BAROHNAUDIIXKU-UHFFFAOYSA-N
rxn:1:62108:30723,O=C1CCC(N2C(=O)c3cc(F)c(NCCn4cc(C(=O)N5CCC(C6CCN(C(=O)C7CCCC7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)cc3C2=O)C(=O)N1,GWHZJAJAQRCULK-UHFFFAOYSA-N
rxn:1:62113:30173,Cc1ocnc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,JQBPFDYYNCGWRU-AWDFSYQVSA-N
rxn:1:62113:30668,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccncc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,TUDCLJSKKRFKKA-UHFFFAOYSA-N
rxn:1:62114:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CC1,FLBOZFZRPJNTHG-UHFFFAOYSA-N
rxn:1:62116:30907,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,BJPBFVGMEKPXTR-UHFFFAOYSA-N
rxn:1:62272:30255,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,VSNAGGRPQHHAMW-UHFFFAOYSA-N
rxn:1:63207:30869,COCc1nnc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)s1,RSACHYYKXYLVLT-UHFFFAOYSA-N
rxn:1:63398:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(=O)N4N=C(c5ccc(Cl)cc5)CC4c4ccccc4O)nn3)CC2)CC1,BMYTYJYOEJMYAY-UHFFFAOYSA-N
rxn:1:63997:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(CC5(N6CCOCC6)CCCCC5)C4)nn3)CC2)N1,OWKGGQGRDCFCHS-UHFFFAOYSA-N
rxn:1:64235:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4cccnc4Cl)C3)nn1)CC2,HCKXYRSDFXNDCE-UHFFFAOYSA-N
rxn:1:64318:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cc(Br)cc5C(=O)O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,YHKSOHIWVVGVQW-UHFFFAOYSA-N
rxn:1:64320:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(F)cc4C(=O)O)C3)nn1)CC2,ZWGSYCHRDUYRGQ-UHFFFAOYSA-N
rxn:1:64689:30668,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccncc2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCCC6)cc5)C4)nn3)CC2)N1,OKMORCYNYULIIH-UHFFFAOYSA-N
rxn:1:64847:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc([N+](=O)[O-])cc4C#N)C3)nn1)CC2,BTSNOKHABJFALS-UHFFFAOYSA-N
rxn:1:65027:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)sc5ncccc45)C3)nn1)CC2,GNMVTPYCONYRRI-UHFFFAOYSA-N
rxn:1:65074:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)c5[nH]cnc5n4)C3)nn1)CC2,IFJOCQSTKRCWNV-UHFFFAOYSA-N
rxn:1:49164:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5nc(N6CCCCC6C)nc(N6CCCCC6C)n5)nn4)CC3)CC2)co1,PCRWWEGUVGXMEW-UHFFFAOYSA-N
rxn:1:49446:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c2ccccc21,IPLTZIALCKVYFG-UHFFFAOYSA-N
rxn:1:51287:30868,COc1ccc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)c2ccccc12,RMERPCIUGBRERG-UHFFFAOYSA-N
rxn:1:51301:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc(-n6ccnc6S)cc5)C4(F)F)nn3)CC2)CC1,CZLKZHOWNFZOSP-UHFFFAOYSA-N
rxn:1:51532:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5cn(-c6ccccc6)nc5-c5ccncc5)C4(F)F)nn3)CC2)CC1,HSANFTTUUILJJJ-UHFFFAOYSA-N
rxn:1:57824:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCc3ccc(CN)c(F)c3)nn1)CC2,JGMOCYZDUHBNFS-UHFFFAOYSA-N
rxn:1:58999:29963,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(C(=O)c5cccnn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,RHMGDXPJSJHMGA-PIPMCUBVSA-N
rxn:1:58999:30604,Cc1cc2n(n1)CCCN(C(=O)c1cscn1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)CCO1,UPXISJHXOFOXJG-ONKIBXCMSA-N
rxn:1:59593:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(=C(F)B6OC(C)(C)C(C)(C)O6)C5)o4)nn3)CC2)CC1,DWXIHSWKMITEAF-UHFFFAOYSA-N
rxn:1:60009:30454,Cc1ccncc1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,WKNIAIIBNAGRBW-XYFKDZRBSA-N
rxn:1:60009:30815,Cc1cccc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)C3)c1,IPWYFTKBTHEWKD-ZGHOWQPZSA-N
rxn:1:60009:30817,Cc1cccc(C(=O)N2CCCOc3ccc(F)cc3C(=O)NCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CC2)n1,QSDMLAIQEFAMCP-XYFKDZRBSA-N
rxn:1:60137:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn([C@H]5[C@H](Oc6ccc([N+](=O)[O-])cc6Cl)O[C@H](CO)[C@@H](O)[C@@H]5O)nn4)CC3)CC2)co1,VGKZKZUDBJWQAW-YGUVYKFWSA-N
rxn:1:60224:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2c(Br)cc(Cl)cc21,STOOBFLPWLDFSC-UHFFFAOYSA-N
rxn:1:60224:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CC1,GFBRWOBJGHAUJN-UHFFFAOYSA-N
rxn:1:60224:30939,Cc1cc2n(n1)CCCN(C(=O)C1CC(F)(F)C1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)CCO1,SRPPDDGVZWMFJJ-UHFFFAOYSA-N
rxn:1:60629:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@@H](N5)C(O)[C@H]4O)[C@H](O)C3O)nn1)CCNC(=O)c1cccc(c1)OCCC2,OVAKFTYLPPBLDU-FBDCZIOASA-N
rxn:1:60632:30169,CC1(C)O[C@@H]2[C@H](O1)[C@@H](Cn1cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)c3cncc(F)c3)CCCOc3ccc(C5CC5)cc34)nn1)O[C@H]2n1cnc2c(N)ncnc21,YYCIQTTWYHGURE-NULZGBKBSA-N
rxn:1:61067:30602,CN1CC2(CCCN(C(=O)c3cscn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,QMCQLPVUYRTDSE-UHFFFAOYSA-N
rxn:1:61499:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N[C@H]4CONC4=O)s3)nn1)CC2,ZRARXIYBYMFCBN-XIFFEERXSA-N
rxn:1:61616:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,KUCYPZCVXTZPLR-MTTXBAGSSA-N
rxn:1:62033:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,IYDNHPQICOFSJE-UHFFFAOYSA-N
rxn:1:62102:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,QYVXNFNACWGBQV-UHFFFAOYSA-N
rxn:1:62111:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,TUIROFPYYWTYCQ-UHFFFAOYSA-N
rxn:1:62111:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,NSEGBXSIUKQYDH-UHFFFAOYSA-N
rxn:1:62115:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,QQOCVNNPDLQKSL-UHFFFAOYSA-N
rxn:1:62272:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,UAUUAUGTBWXIHM-UHFFFAOYSA-N
rxn:1:62290:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(CO)OC(n4cnc5c(N)ncnc54)C(O)C3O)nn1)CC2,BZHZREPMRZOQJY-UHFFFAOYSA-N
rxn:1:63091:30628,CNC(=O)c1ccc(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,ZQMNJOHABCKMBD-UHFFFAOYSA-N
rxn:1:63250:30850,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Cl)c1,IFBYQQZXMWEWTR-UHFFFAOYSA-N
rxn:1:63418:30613,Cc1cc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Cl,QAEYVRSONNRVOT-UHFFFAOYSA-N
rxn:1:63434:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Cl)ncc(Br)c4C)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,MUOBKCYXQKTUSA-UHFFFAOYSA-N
rxn:1:63473:30868,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(F)cc1Br,ANCTWBJFBZEVAQ-UHFFFAOYSA-N
rxn:1:64478:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)nc(Br)c4C#N)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,XATFUKHBQFYJCO-UHFFFAOYSA-N
rxn:1:64595:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,XUCIESYIAZIAIF-UHFFFAOYSA-N
rxn:1:64611:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCC6)c(F)c5)C4)nn3)CC2)CC1,GXRLNHYYJASSRF-UHFFFAOYSA-N
rxn:1:64612:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCC6)c(F)c5)C4)nn3)CC2)N1,KRIYAOYJTPAXHW-UHFFFAOYSA-N
rxn:1:65235:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(CN6CCCCC6)cc5)C4)nn3)CC2)CC1,AIYKODCYCNTZIQ-UHFFFAOYSA-N
rxn:1:65260:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-n5cnnn5)c4)C3)nn1)CC2,QXJOMKKJOABGBD-UHFFFAOYSA-N
rxn:1:43879:30446,CN1CCCN(C(=O)c2ccon2)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)C2)C1=O,OIVAXBWRWJSTOV-XJXPVBPJSA-N
rxn:1:44403:30087,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7CC6c6ccccc6OCCN(C(=O)c6cc[nH]n6)CCCNC7=O)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,GZPWVIJLNBAWND-QEMFLCFISA-N
rxn:1:48641:30829,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC6(CCCN(C(=O)c7cnco7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,TYUATDVRXVHLAM-RGUFEFLZSA-N
rxn:1:48893:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CCC(O)C(O)c5cc(C)c(N)cc5Cl)nn4)CC3)CC2)co1,IKUDENZMCSLWED-UHFFFAOYSA-N
rxn:1:48910:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cc(N)c(F)cc3F)nn1)CC2,QRMPCPZGDGUIHN-UHFFFAOYSA-N
rxn:1:49014:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc5cc[nH]c5cc4Cl)nn3)CC2)CC1,PHMQQCNHBPMAHK-UHFFFAOYSA-N
rxn:1:49271:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3c(F)cc(Br)cc3Br)nn1)CC2,VHUQJEQSHRVRKX-UHFFFAOYSA-N
rxn:1:49450:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C(=O)c3cccn(Cc4ccc5c(c4)OC(F)(F)O5)c3=O)nn1)CC2,HPDZNYVFVOOURY-UHFFFAOYSA-N
rxn:1:58999:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc21,BCNXCQIWQOTCNK-HFKAAAHISA-N
rxn:1:58999:29822,Cc1csc(CN2CCCOc3ccccc3[C@H]3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)[C@H](C3)C(=O)NCC2)n1,UJRGPRUGDSVNDC-YGFFNFMGSA-N
rxn:1:58999:30127,CN1CCCN(C(=O)c2cscn2)CCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)C1=O,APKPXOMOJBHIKB-NDKSGQQVSA-N
rxn:1:58999:30196,Cc1nn2c(C)c1CN(C(=O)CC1CCOCC1)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCNC(=O)c1cccc(c1)OCCC2,PCUUJAXYSFVCGA-PVQKVPPSSA-N
rxn:1:60224:4740,COc1ccc(-c2c(C(=O)O)sc3c2N=C(O)CC32C(=O)N(Cc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c3ccc(F)cc32)cc1,SVHBCFCCRZPFDN-UHFFFAOYSA-N
rxn:1:60402:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c([N+](=O)[O-])cccc6o5)c4)nn3)CC2)CC1,ZZKPTQVYBQKJCO-UHFFFAOYSA-N
rxn:1:60405:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc([N+](=O)[O-])ccc5o4)nn3)CC2)CC1,ZEJQBVHTYCQNQP-UHFFFAOYSA-N
rxn:1:61067:29830,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ccc(F)cn5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,QZTMSBNJRDZJBS-RZXQBGFDSA-N
rxn:1:61067:30438,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cnco5)CCOc5ccc(C7CC7)cc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,XPUXAUQAXUNWGS-SFKFYZAPSA-N
rxn:1:61459:30748,CC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCN(C)CC4)s3)nn1)CC2,GZPKUWQHZSYHIJ-UHFFFAOYSA-N
rxn:1:61565:29837,COc1cncc(CN2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c3ccccc3OCCC2)c1,FDRWBGSOPWHSHY-KRYRAUGCSA-N
rxn:1:62114:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,KAEGKXXCSBKBNY-UHFFFAOYSA-N
rxn:1:62117:30337,Cc1cccc(CN2CCCOc3ccccc3C(=O)NCC3(CC2)CCN(C(=O)c2cn(CC4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)n1,FALSTOHVSIBPHV-UHFFFAOYSA-N
rxn:1:62269:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3OC(n4cnc5c(N)ncnc54)C(O)C3O)nn1)CC2,JBVMADPFFUQNER-UHFFFAOYSA-N
rxn:1:62272:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,ZLFUNNRUDQBDPA-UHFFFAOYSA-N
rxn:1:63081:30723,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)C7CCCC7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)nc2)CC1,KJYCCIYOSIBURB-UHFFFAOYSA-N
rxn:1:63117:30628,COC(=O)c1cc(Br)c(F)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,QYXCUXNCUNETTD-UHFFFAOYSA-N
rxn:1:63405:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cc(Br)cc(C(=O)OC)c5C)C4)nn2)CC3)cn1,RXABYVRSPNXFPY-UHFFFAOYSA-N
rxn:1:63479:30613,COc1cc(C)c(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,UEGQNOJUGSJSGO-UHFFFAOYSA-N
rxn:1:63850:30620,Cc1n[nH]c(N)c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,LEUJYIRTPSBGKE-UHFFFAOYSA-N
rxn:1:64328:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(I)cccc4C(=O)O)C3)nn1)CC2,FQBAHYIIBSSBML-UHFFFAOYSA-N
rxn:1:64508:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CC(=O)N(c6cc(Cl)ccc6-c6nnn[nH]6)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,KEEBDGOFRXEHME-UHFFFAOYSA-N
rxn:1:65144:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)cc(C(=O)O)c4)C3)nn1)CC2,BFTXDCZLOOEWPT-UHFFFAOYSA-N
rxn:1:65207:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6cc(N7CCOCC7)ncn6)C5)nn4)CC3)CC2)co1,FCSIZMGGWMOVNU-UHFFFAOYSA-N
rxn:1:65581:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(-c5ccco5)s4)C3)nn1)CC2,FTMMWHHXMBRRCS-UHFFFAOYSA-N
rxn:1:44403:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,OPGRHVXPKOOCAA-GSFYRGFLSA-N
rxn:1:49288:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cc(Cl)c4cccnc4c3O)nn1)CC2,PIUJZBCRIVFSHY-UHFFFAOYSA-N
rxn:1:49290:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,LFIHYYBUBCEONV-LHEWISCISA-N
rxn:1:58999:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,NNUZIWKFBKKUPP-PWPCKWKUSA-N
rxn:1:58999:29775,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cncc(F)c7)CCCOc7cccc(c7)C(=O)NC6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,QEVDVOCOZQQMKE-ZTZMCAMLSA-N
rxn:1:58999:29836,Cn1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)c3ccccc3OCCC2)n1,GZVLHGOQYDTEIF-UHLWDSJRSA-N
rxn:1:58999:30305,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(Cc5cnc7ccccn57)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,INPSTVPGRQWDAC-ANYPQEOPSA-N
rxn:1:58999:30925,Cc1cc2n(n1)CCCN(C(=O)c1ncoc1C)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)CCO1,FJLAWUSXSAGTNU-ONVKSOSMSA-N
rxn:1:60009:30825,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CN(C)C(=O)c3ccccc3OCCOCC2)cn1,ROZVXXJDTGBRHW-YQZOKAAQSA-N
rxn:1:60224:10188,Cc1c(C(N)=O)sc2nc(Cc3cccc4ccccc34)n(Cc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c(=O)c12,XEJBTEZBPXVQHW-UHFFFAOYSA-N
rxn:1:60224:24460,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6cccnc6)C6=C5C(=O)CC(C)(C)C6)c5ccccc53)nn2)CC4)cn1,LUCFMUNYYAGVNU-UHFFFAOYSA-N
rxn:1:60224:25061,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2ccc(F)cc21,LZHDABIUXXGJBK-UHFFFAOYSA-N
rxn:1:60224:25072,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2c(Cl)cc(Cl)cc21,BSNRIIONEROSJQ-UHFFFAOYSA-N
rxn:1:60224:25130,Cc1ccc2c(c1)C1(CC(O)=Nc3c1c(C)nn3-c1ncnc3[nH]cnc13)C(=O)N2Cc1cn(CC(C)(C)C(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)nn1,VRBMXVOHHICDMN-UHFFFAOYSA-N
rxn:1:60224:9321,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccc(F)c(Cl)c6)C6=C5C(=O)OC6)c5ccccc53)nn2)CC4)cn1,NLALNRBGSSIXKO-UHFFFAOYSA-N
rxn:1:60400:30868,CC(=O)c1cccc2nc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)oc12,WKIVDPGBOULDSK-UHFFFAOYSA-N
rxn:1:60457:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(S(N)(=O)=O)ccc6o5)c4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,MHBBCMWQSWFRRR-UHFFFAOYSA-N
rxn:1:61067:30560,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)CC3)CN(C)C(=O)c3cc(C)nn3CC3(CC3)C2)cn1,MRYDPAJEUXHCFB-UHFFFAOYSA-N
rxn:1:61565:30736,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCCCC8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,USBMWYCUSRIOAP-XRMKWBFGSA-N
rxn:1:61714:30635,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccc(F)cc2)CCC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@H](N6)[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)nn3)CC2)N1,KPDNGGAKJZUCOE-SDPUZWMASA-N
rxn:1:61923:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(O)C(O)C(CO)OC3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,ODMJOGNUKLOZHE-UHFFFAOYSA-N
rxn:1:61924:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn3)CC2)CC1,DPELYVFCTDZXBA-UHFFFAOYSA-N
rxn:1:62077:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)nn1)CC2,CVEVZSCZEBSJSA-UHFFFAOYSA-N
rxn:1:62111:30240,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,ATIJTEBEWKOQPZ-UHFFFAOYSA-N
rxn:1:62290:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(CO)OC(n4cnc5c(N)ncnc54)C(O)C3O)nn1)CC2,AROQNTQUJVCAAE-UHFFFAOYSA-N
rxn:1:62845:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(C5CCCO5)o4)C3)nn1)CC2,QGKSIQADDHLEIH-UHFFFAOYSA-N
rxn:1:63081:30193,COc1ncc(CN2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,BQQDIPDRQORQEE-UHFFFAOYSA-N
rxn:1:63326:30629,COc1cc(Br)cc(Br)c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,BOIYUUWORMEEFR-UHFFFAOYSA-N
rxn:1:64086:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(CCc5cccc(Cl)c5Cl)C4)nn3)CC2)N1,LWVZULYDGZNRGS-UHFFFAOYSA-N
rxn:1:64195:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4cc[nH]c4)C3)nn1)CC2,HOUYOEIWIJUNAN-UHFFFAOYSA-N
rxn:1:64287:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(C(=O)O)cc4Br)C3)nn1)CC2,DMZBVBVXQBVFGV-UHFFFAOYSA-N
rxn:1:64324:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5c(Br)cccc5C(=O)O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ZYYYAGANAMHIAI-UHFFFAOYSA-N
rxn:1:64491:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Br)ccc4C(=O)O)C3)nn1)CC2,WLNUERODCXDMDN-UHFFFAOYSA-N
rxn:1:64632:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)c([N+](=O)[O-])c4)C3)nn1)CC2,YCCKTLQHJVANLN-UHFFFAOYSA-N
rxn:1:64931:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(Cl)ccc4C(=O)O)C3)nn1)CC2,GJTGGNPTNDVRED-UHFFFAOYSA-N
rxn:1:65048:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cnccc4CO)C3)nn1)CC2,YQWUQACSXQNAJI-UHFFFAOYSA-N
rxn:1:65084:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)c5nc(CO)cnc5n4)C3)nn1)CC2,NYZKMEVRHJOSPN-UHFFFAOYSA-N
rxn:1:65255:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-c5nnn[nH]5)c4)C3)nn1)CC2,FPZPKZHWYJWCDZ-UHFFFAOYSA-N
rxn:1:47944:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(S(N)(=O)=O)cc3F)nn1)CC2,OXRQWHRHEPCNGD-UHFFFAOYSA-N
rxn:1:48982:30647,Cc1ccc(S(=O)(=O)O[C@@H]2CCC3C4CC[C@H]5C[C@@H](n6cc(C(=O)N7CCC8(CCCN(C(=O)c9ccnn9C)CCCOc9ccccc9-c9cncc(c9)C(=O)N(C)C8)CC7)nn6)CC[C@]5(C)C4CC[C@@]32C)cc1,RSNHBDTUSQKLTK-HHJTYVIDSA-N
rxn:1:49462:30907,Nc1ncnc2c1nc(-n1cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,UMIXDOLRUZNNSO-FBDPTQBOSA-N
rxn:1:51950:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CC(n5cc(C)c(N6CCCCC6)nc5=O)OC4CO)nn3)CC2)CC1,LXINJELUKWONNY-UHFFFAOYSA-N
rxn:1:58999:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2cc3c(cc21)OCCO3,MPRCUEINCPAYRB-NKDQXIOKSA-N
rxn:1:58999:30400,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5ccccn5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CTTPJXHOWLWSTN-LUNZNHPTSA-N
rxn:1:60009:30349,COc1ccc(CN2CCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)cn1,ADHMLWKVJGRENG-XYFKDZRBSA-N
rxn:1:60009:30930,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccc(F)cn5)CCOCCOc5ccccc5C(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,JNZOLMUAXRGMQT-RBXNRXSHSA-N
rxn:1:60224:24510,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6cccc(Cl)c6)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,ZUMKJTLDGNMHMF-UHFFFAOYSA-N
rxn:1:60224:29851,Cc1nccc(CN2CCCOc3ccccc3C(=O)NCC3(CCC2)CCN(C(=O)c2cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn2)CC3)n1,QQRBDPUEXUJIBI-UHFFFAOYSA-N
rxn:1:60224:4628,Cc1nn(-c2ncccn2)c2c1C(c1ccc(OCc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)cc1)SCC(O)=N2,CMAUQYYSXNKJBQ-UHFFFAOYSA-N
rxn:1:60224:4832,Cc1cccc2c1N(Cc1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)C(=O)C21CC(O)=Nc2c1cnn2-c1nc2ccccc2s1,SNOLWLSEDFHAQU-UHFFFAOYSA-N
rxn:1:60224:4858,Cc1nn(-c2ncccn2)c2c1C(c1cccc(OCc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c1)SCC(O)=N2,CXZHIQMBZVZBNQ-UHFFFAOYSA-N
rxn:1:60224:5520,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(Cn3cc(CN5CCc6nc(N7CCCC7)[nH]c(=O)c6C5)c5ccccc53)nn2)CC4)cn1,KLTSHGBVKZQIAE-UHFFFAOYSA-N
rxn:1:60224:5538,Cc1c(Cl)cccc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c3ccccc32)C2=C1CCCC2=O,MSAYMLJCZZIORN-UHFFFAOYSA-N
rxn:1:60412:30614,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6scnc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,DNPFETAVNAYGNV-UHFFFAOYSA-N
rxn:1:60413:30161,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCNC(=O)c6cccc(c6)OCCCn6nc(C)c(c6C)CN(C(=O)c6cccnn6)CC5)nn4)c3)nc2c1,YXLFWXKYKINLQG-UHFFFAOYSA-N
rxn:1:60423:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(F)ccc5o4)nn3)CC2)CC1,QWQWUDLZUCZHAZ-UHFFFAOYSA-N
rxn:1:61067:29827,Cc1ncccc1CN1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)[C@H](C2)C(=O)NCC1,YWOSVQXPDZYVHG-OZVRSBFASA-N
rxn:1:61067:30667,CN1CC2(CCCN(C(=O)c3ccncc3)CCCn3nccc3C1=O)CN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CCO2,UUGWBVPIXMTMDS-UHFFFAOYSA-N
rxn:1:61565:29559,CCOC(=O)c1ncn2c1[C@@H](C)N=C(c1ccccc1F)c1cc(-c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)ccc1-2,WLVKWRJFHCYTQF-QLKYRVGJSA-N
rxn:1:61565:30195,COc1ccc(CN2CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,DNQWICRIXNPZFZ-LHTXQWSYSA-N
rxn:1:61636:30935,CN1CC2(CCCN(C(=O)c3ccc(F)cn3)CCCCn3nccc3C1=O)CCCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)C2,VSZXGRNREKXLKU-BDWAWWNBSA-N
rxn:1:61923:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(O)C(O)C(CO)OC3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,YXLWQSBWKPNZJI-UHFFFAOYSA-N
rxn:1:62052:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn1)CC2,GLISVFQYFYWMAB-UHFFFAOYSA-N
rxn:1:62102:30748,CC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,NXINSSXCTRHOEN-UHFFFAOYSA-N
rxn:1:62104:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)C1=O,YHWJWQQKEHTMKY-QYPLSBRFSA-N
rxn:1:62105:30787,Cc1ccc(C(=O)N2CCCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)C3)cn1,QPMDLQYMRXDVDF-UHFFFAOYSA-N
rxn:1:62105:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RGSAGVLLQQYXKC-UHFFFAOYSA-N
rxn:1:62111:30202,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,MLCIFXRNHZEAPK-UHFFFAOYSA-N
rxn:1:62115:30593,COc1ccccc1C(=O)N1CCCCn2nc(C)cc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,LNUIZHRKMIDELA-UHFFFAOYSA-N
rxn:1:62126:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VGRYRXZDJYIWAB-UHFFFAOYSA-N
rxn:1:63111:30908,CNc1ncnc(Cl)c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,XCBJDYDGUKJDGL-UHFFFAOYSA-N
rxn:1:64740:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)O)nn4)C3)nn1)CC2,KYYSSSTVWGDZHU-UHFFFAOYSA-N
rxn:1:65092:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(-c6ccc(Cl)cc6)no5)C4)nn3)CC2)CC1,RGOSUSAHOQFIGU-UHFFFAOYSA-N
rxn:1:65236:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(CN7CCOCC7)cc6)C5)nn4)CC3)CC2)c1,IOMOBJLBGHJDLB-UHFFFAOYSA-N
rxn:1:65435:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(-c5ccncc5)cs4)C3)nn1)CC2,URPNIVCCQLTZDX-UHFFFAOYSA-N
rxn:1:43879:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn([C@]5(CI)O[C@@H](n6cnc7c(N)ncnc76)[C@H](O)[C@@H]5O)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,OVYKZQHKVQIAOU-CDBBDQOESA-N
rxn:1:43879:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@]3(CI)O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,BTFVQXHXBHVHFM-CDBBDQOESA-N
rxn:1:47743:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(C(=O)O)cc3O)nn1)CC2,DSLPTBKNLSWFOG-UHFFFAOYSA-N
rxn:1:48982:30802,Cc1ccc(S(=O)(=O)O[C@@H]2CCC3C4CC[C@H]5C[C@@H](n6cc(C(=O)N7CCC8(CCCN(C(=O)C9CCC9)CCCOc9ccccc9-c9cncc(c9)C(=O)N(C)C8)CC7)nn6)CC[C@]5(C)C4CC[C@@]32C)cc1,SXKGEBAAGIKMTC-NZKILUSLSA-N
rxn:1:48982:30836,Cc1ccc(S(=O)(=O)O[C@@H]2CCC3C4CC[C@H]5C[C@@H](n6cc(C(=O)N7CCC8(CCCN(C(=O)c9ccon9)CCCOc9ccccc9-c9cncc(c9)C(=O)N(C)C8)CC7)nn6)CC[C@]5(C)C4CC[C@@]32C)cc1,GQAVCCWCLQJUQQ-DNMAKZJCSA-N
rxn:1:49199:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccnn3C)nn1)CC2,MKTBZOFYACIRLD-UHFFFAOYSA-N
rxn:1:49443:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,DXVXCPSZSWEXDX-UHFFFAOYSA-N
rxn:1:58999:25130,Cc1ccc2c(c1)C1(CC(O)=Nc3c1c(C)nn3-c1ncnc3[nH]cnc13)C(=O)N2Cc1cn(-c2ncc3c(n2)C[C@@H]2CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(C)O)[C@@]2(C)C3)nn1,VMNINQMDJVKHSV-JOVUUVHHSA-N
rxn:1:58999:29894,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5cnn7ccccc57)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,PRFCSOCNESKMTA-ZRBRMKENSA-N
rxn:1:58999:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,CFOPJPRMYXXXSK-MNAVRZMNSA-N
rxn:1:59595:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)C4)s3)nn2)c2ccccc21,DHQVMPCDHVIXOY-UHFFFAOYSA-N
rxn:1:59668:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)nn1)CC2,BTQZWNIVKKJXEZ-OYQUPYODSA-N
rxn:1:60224:24425,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6cccc(F)c6)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,YQAKGUCPGOEOGO-UHFFFAOYSA-N
rxn:1:60224:24445,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6cccc(F)c6)C6=C5C(=O)CC(C)(C)C6)c5ccccc53)nn2)CC4)cn1,GBFORWGALUDHED-UHFFFAOYSA-N
rxn:1:60224:24480,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccc(F)cc6)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,LRCNBNNEUSGBEI-UHFFFAOYSA-N
rxn:1:60224:24499,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccc(F)cc6F)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,LJEBDRQEKQBXLH-UHFFFAOYSA-N
rxn:1:60224:25091,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2c(Cl)cccc21,JUIKZHJKSQDPKB-UHFFFAOYSA-N
rxn:1:60224:25102,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2ccc(Cl)cc21,CSQUEVIQZPMWIP-UHFFFAOYSA-N
rxn:1:60224:30496,CN1CC2(CCCN(Cc3cncc(F)c3)CCCCOc3ccccc3C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,ADALBTLSDGDUFV-UHFFFAOYSA-N
rxn:1:60224:30929,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(C(=O)N3CCC5(CCN(C(=O)c6ccc(F)cn6)CCCOc6ccc(F)cc6C(=O)NC5)CC3)nn2)CC4)cn1,ZWDNZTQQLURRHN-UHFFFAOYSA-N
rxn:1:60224:5537,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccccc6Cl)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,ICGWOSKDVPGVBH-UHFFFAOYSA-N
rxn:1:60429:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5ccc(Cl)cc5o4)nn3)CC2)CC1,JIOXZNANVFCRFB-UHFFFAOYSA-N
rxn:1:61067:30075,Cc1ncncc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)C2)C(=O)NCC1,LOBCCIPIJHJCLK-ZHPHMGOMSA-N
rxn:1:61067:30310,Cn1nccc1CN1CCCNC(=O)C2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)C(C2)c2ccccc2OCC1,SMUXWRHRFIRUMR-UHFFFAOYSA-N
rxn:1:61436:30908,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,LVMYHVGQSHJKFB-YTNVLELGSA-N
rxn:1:61599:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4c(F)c(F)c(NC(=O)OC(C)(C)C)c(F)c4F)nn3)CC2)CC1,DKEKRAFGPRBEKM-UHFFFAOYSA-N
rxn:1:62102:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,AZKFGGDHBZIUTJ-UHFFFAOYSA-N
rxn:1:62108:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,AQZSOQUYWBVEPE-UHFFFAOYSA-N
rxn:1:62110:30765,COCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,ALNXPUZMQSCGLI-UHFFFAOYSA-N
rxn:1:62112:7642,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(COc6cc7c(cc6N=Nc6ccc8c(c6)OCCOCCOCCOCCO8)OCCOCCOCCOCCO7)nn5)C4)cc3C2=O)C(=O)N1,ILCGGRVNMDWBKC-UHFFFAOYSA-N
rxn:1:62115:30425,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3ccccc3OCC3(CC3)C2)cn1,YGIDMCZDSWMSDL-UHFFFAOYSA-N
rxn:1:62117:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,NNDYRDKURCLICV-UHFFFAOYSA-N
rxn:1:62360:30228,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC5(CCCN(C(=O)CC6CCCCC6)CCCCn6cc(cn6)C(=O)N(C)C5)CC4)nn3)ccc1-2,GWACWIXETVHEIX-UHFFFAOYSA-N
rxn:1:63081:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(N7CCN(C)CC7)cn6)C5)nn4)CC3)CC2)c1,GVBNLIAPAFMKTL-UHFFFAOYSA-N
rxn:1:63116:30628,COC(=O)c1cc(Br)c(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,AWEKRGXKGADFAW-UHFFFAOYSA-N
rxn:1:64929:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)ncc4C#N)C3)nn1)CC2,WNFAUVJVCJIGBU-UHFFFAOYSA-N
rxn:1:65086:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5c4ncn5CCO)C3)nn1)CC2,MCDBQUDYANKLDI-UHFFFAOYSA-N
rxn:1:47962:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3[C@H](O)[C@@H](CO)O[C@H]3n3ccc(=O)[nH]c3=O)nn1)CC2,QPXKRGWNIHXBJR-OYQUPYODSA-N
rxn:1:48027:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc5c(c4)OCC(=O)N5)nn3)CC2)CC1,MWHIMSQYSRWZNR-UHFFFAOYSA-N
rxn:1:58999:25081,Cc1cccc2c1N(Cc1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)C(=O)C21CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12,CYQXSCJEYBSVMT-JOVUUVHHSA-N
rxn:1:59394:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCCCc4ccc5c(c4)CNCC5)nn2)CC3)cn1,UTXCOVRYETWCNX-UHFFFAOYSA-N
rxn:1:59717:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nn1)CC2,JZJUPMBEGYBEIV-UHFFFAOYSA-N
rxn:1:60009:30484,COc1ccc(CN2CCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CC3)cn1,GSLXWGKVZRSEFU-XYFKDZRBSA-N
rxn:1:60009:30845,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC(C4CCN(C(=O)C5CCOCC5)CCOCCOc5ccccc5C(=O)N4)CC3)nn2)NC(=O)Cc2ccccc2CN1,XUDJYQLDIHQEBZ-IQRYRTTRSA-N
rxn:1:60137:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3[C@H](Oc4ccc([N+](=O)[O-])cc4Cl)O[C@H](CO)[C@@H](O)[C@@H]3O)nn1)CC2,SPIMMVVTCJGIFL-NCVITBKDSA-N
rxn:1:60224:24450,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6cccnc6)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,CLMOTIWLIGYEJM-UHFFFAOYSA-N
rxn:1:60224:24532,Cc1ccc(Cl)cc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c3ccccc32)C2=C1CCCC2=O,UKDRWNKDRDBVHH-UHFFFAOYSA-N
rxn:1:60224:24572,CCc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)c4ccccc43)C3=C2CCCC3=O)cc1,SISJLQCKFDRCMP-UHFFFAOYSA-N
rxn:1:60224:2888,Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2ccc(Br)cc21,HEMYSTAHZHYDFY-UHFFFAOYSA-N
rxn:1:60224:30283,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CCCOc3ccccc3C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,BOQPBWGFQJXZSE-UHFFFAOYSA-N
rxn:1:60224:34749,Cc1nn(-c2ncnc3nc[nH]c23)c2c1C1(CC(=O)N2)C(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2ccccc21,XQLQUTLSGMTKSR-UHFFFAOYSA-N
rxn:1:60224:4622,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C(c1cccc(OCc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c1)CC(O)=N2,KAQLIRUJWCWPJV-UHFFFAOYSA-N
rxn:1:60224:5536,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccccc6F)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,NDAYYYLCBQJFKT-UHFFFAOYSA-N
rxn:1:60448:30850,COC(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cncnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,SFIQINPHPPLIHX-UHFFFAOYSA-N
rxn:1:60459:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(Cl)c([N+](=O)[O-])cc5o4)c3)nn1)CC2,UGKQWNHMAUUTFJ-UHFFFAOYSA-N
rxn:1:60537:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc([N+](=O)[O-])ccc5n4C)c3)nn1)CC2,JYDABNMVYLLWKZ-UHFFFAOYSA-N
rxn:1:61067:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2cc3c(cc21)OCCO3,MPRCUEINCPAYRB-UHFFFAOYSA-N
rxn:1:61627:30636,Cc1cc(=O)oc2cc(O[C@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H](O)[C@@H]3n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(F)cc6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)ccc12,BOWGPJOZRHEUKW-YEZIZKLNSA-N
rxn:1:61636:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CCNC(=O)c1cccc(c1)OCCC2,CVQUSGFJSVYXOF-KPSGRSMESA-N
rxn:1:62052:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,IHCLIUPMXUHZJR-UHFFFAOYSA-N
rxn:1:62115:29800,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6ccc8ncccc8c6)CCCOc6ccccc67)nn5)C4)cc3C2=O)C(=O)N1,VTMSSSPPEACUQK-LWJDDXCJSA-N
rxn:1:62360:30850,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)ccc1-2,JMGWHCIECHXBHU-UHFFFAOYSA-N
rxn:1:63080:29934,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5CCC6(CCCN(Cc7cnn8ccccc78)CC7(CC7)COc7ccccc7C(=O)NC6)CC5)nn4)CC3=O)cc2)CC1,OHVBCMOYNRHXPD-UHFFFAOYSA-N
rxn:1:63081:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)CC2)CC1,JRIYCQNCIWCPNW-UHFFFAOYSA-N
rxn:1:63088:30601,CNC(=O)c1ccc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)c1,SRGVOFWXSDNALJ-UHFFFAOYSA-N
rxn:1:63941:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(C4CCN(C(=O)C5CC5)CC4)C3)nn1)CC2,VMROSBRUUBAJNH-UHFFFAOYSA-N
rxn:1:64272:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4nnc5n4CCCCC5)C3)nn1)CC2,RZKLJCAZLJCZJR-UHFFFAOYSA-N
rxn:1:64612:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCCCC5)c(F)c4)C3)nn1)CC2,RUURLFOVQQLALU-UHFFFAOYSA-N
rxn:1:64954:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cnc(C(=O)O)cn4)C3)nn1)CC2,UIKQDXDYOXIHHP-UHFFFAOYSA-N
rxn:1:65258:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-n6cccn6)c5)C4)nn3)CC2)CC1,CGFKFRDBUPMVJV-UHFFFAOYSA-N
rxn:1:47517:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(N)c(CO)c3)nn1)CC2,IRBDKCCQKQEEFB-UHFFFAOYSA-N
rxn:1:49290:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,AHBVJVXKKCLBAY-BHVANESWSA-N
rxn:1:49448:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CCN5CCN(c6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)CC3)CC2)co1,XSWXSAPQUCBNDS-UHFFFAOYSA-N
rxn:1:51271:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc6ncnc(N)c6c5)C4(F)F)nn3)CC2)CC1,UDRVYGXXMGMGEX-UHFFFAOYSA-N
rxn:1:51414:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc(OC(F)(F)F)c(N)c5)C4(F)F)nn3)CC2)CC1,DAFWCMZPEDKGDL-UHFFFAOYSA-N
rxn:1:58999:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2c(Br)cc(Cl)cc21,ZCYUTRWEYPCUIC-WTYKXCLWSA-N
rxn:1:59594:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)CC4)s3)nn2)c2ccccc21,KYTNSPZUTUYXBD-UHFFFAOYSA-N
rxn:1:59594:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)CC4)s3)nn2)c2cc3c(cc21)OCCO3,XPDKAVWYCLBRMX-UHFFFAOYSA-N
rxn:1:59594:29836,Cn1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(Cc4ccc(C(=O)N5CCC(=C(F)B6OC(C)(C)C(C)(C)O6)CC5)s4)nn3)c3ccccc3OCCC2)n1,FOLNUOGAGOOTGA-PJTQZDKOSA-N
rxn:1:60009:30446,CN1CCCN(C(=O)c2ccon2)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)C1=O,IJZUXINSPIUBFV-ZXIQFDRJSA-N
rxn:1:60224:24553,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccccc6)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,ZVKWKRADKSJHME-UHFFFAOYSA-N
rxn:1:60224:29855,Cc1cc2c(cc1CN1CCCOc3ccccc3C(=O)NCC3(CCC1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn1)CC3)OCO2,KNPDVHPGVXMIBS-UHFFFAOYSA-N
rxn:1:60224:30713,Cc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)c4ccccc43)C3=C2CCCC3=O)cc1,CTWRKWYWFNRFSJ-UHFFFAOYSA-N
rxn:1:60224:30822,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)CC3)CN(C)C(=O)c3ccnn3CC3(CC3)C2)cn1,DWVCQEWIKHLGLD-UHFFFAOYSA-N
rxn:1:60224:9314,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6cccc(F)c6)C6=C5C(=O)OC6)c5ccccc53)nn2)CC4)cn1,ZODNOEXUWYDLTK-UHFFFAOYSA-N
rxn:1:60224:9325,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccc(F)cc6)C6=C5C(=O)OC6)c5ccccc53)nn2)CC4)cn1,VTHNDIGPXXWIKV-UHFFFAOYSA-N
rxn:1:60412:30669,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,VPULIWIFHZLMNZ-UHFFFAOYSA-N
rxn:1:60418:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5ccc(F)cc5o4)nn3)CC2)CC1,ZCWWZFLPKSLDNM-UHFFFAOYSA-N
rxn:1:60558:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)C(=N)Sc3nccn3C)nn1)CC2,WIYWMFMHTMGUGV-UHFFFAOYSA-N
rxn:1:61067:25130,Cc1ccc2c(c1)C1(CC(O)=Nc3c1c(C)nn3-c1ncnc3[nH]cnc13)C(=O)N2Cc1cn(-c2ncc3c(n2)CC2CCC4C(CCC5(C)C4CCC5(C)O)C2(C)C3)nn1,VMNINQMDJVKHSV-UHFFFAOYSA-N
rxn:1:61067:29821,Cc1noc(C)c1CN1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)[C@H](C2)C(=O)NCC1,URWFWQJKQZHUEN-WKOPKZIFSA-N
rxn:1:61067:29859,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(Cc5ncccc5F)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,PVKVAMADSGJHEH-DDQVJZJXSA-N
rxn:1:61067:30042,Cc1ncsc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)[C@H](C2)C(=O)NCC1,JGXXRIDELFSZTE-NGKFEBOBSA-N
rxn:1:61436:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4C[C@H](n5cc(C)c(N6CCCCC6)nc5=O)O[C@@H]4CO)nn3)CC2)CC1,LXINJELUKWONNY-DTYHLOSKSA-N
rxn:1:61923:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4(O)C(O)C(CO)OC4n4cnc5c(=O)[nH]c(N)nc54)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,DZUHSVHMQKIOKI-UHFFFAOYSA-N
rxn:1:62115:29868,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC7(CCCN(Cc8ccc9nccnc9c8)CCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,QUDAQJSQPKIXIS-UHFFFAOYSA-N
rxn:1:62123:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HNVVFKINIJIHPI-UHFFFAOYSA-N
rxn:1:62136:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4C4OC(CO)C(O)C4O)nn3)CC2)CC1,POTLIKPHJZEARL-UHFFFAOYSA-N
rxn:1:62257:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,UIRDUDKTVKLRDL-SRTUNTRKSA-N
rxn:1:63147:30850,COC(=O)c1cc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)c1,PBHUFGKMMPPKPD-UHFFFAOYSA-N
rxn:1:63932:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5c4cnn5C)C3)nn1)CC2,GACAGGMBIGMDQR-UHFFFAOYSA-N
rxn:1:64467:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(Br)c5ccncc45)C3)nn1)CC2,BRCUDSCXMAOSRI-UHFFFAOYSA-N
rxn:1:64859:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CC2,BJIFFJDJQYSWBY-UHFFFAOYSA-N
rxn:1:65083:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)nc5ncc(CO)nc45)C3)nn1)CC2,FMGHYUQSWXFYMO-UHFFFAOYSA-N
rxn:1:65083:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)nc5ncc(CO)nc45)C3)nn1)CC2,VEKREPPCEFMFMJ-UHFFFAOYSA-N
rxn:1:65422:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(-c5ccc(Br)s5)cs4)C3)nn1)CC2,VSJKTHZMWMVRRV-UHFFFAOYSA-N
rxn:1:44403:30174,Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C2)c2ccccc2OCCC1,GPLNPNXIMMUGKK-CTYHNOOTSA-N
rxn:1:44403:30657,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,UGLVNBLXUALLHJ-LGUQYVECSA-N
rxn:1:49124:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5c(Cl)ccnc5c4)nn3)CC2)CC1,WUWOIBZCKQRSJP-UHFFFAOYSA-N
rxn:1:49335:30907,CN1CCN([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1,YNARGPSTWYAFMT-CUORPUHPSA-N
rxn:1:50023:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)NC[C@H]5OC(O)[C@H](O)[C@@H](O)[C@@H]5O)c(O)c4)nn3)CC2)N1,RGVOLXQAMJJDLU-CDESABPQSA-N
rxn:1:51310:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc5ncn(C)c(=O)c5c4)C3(F)F)nn1)CC2,KLTBMPATZXEJDJ-UHFFFAOYSA-N
rxn:1:53195:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4cc(Cl)c5cccnc5c4O)nn3)CC2)CC1,ZUGHLVVDRKIFNU-UHFFFAOYSA-N
rxn:1:53243:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc(N5CCN(C)CC5)cc4)nn3)CC2)CC1,SXORQEYFVXBPMK-UHFFFAOYSA-N
rxn:1:58999:29826,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCN(Cc5ccncc5F)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,JXTPQNFDEREIOS-FVCWIXACSA-N
rxn:1:59685:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cnc5c(N(C)C)ncnc54)O[C@@H]3CO)nn1)CC2,DAJUCGMZVWJLMS-YTUJISJWSA-N
rxn:1:60009:30229,Cc1ccccc1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,ZMDSFHJVZIJJCZ-YQZOKAAQSA-N
rxn:1:60224:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,VJCSUCMXHKSWDJ-UHFFFAOYSA-N
rxn:1:60224:30684,CN1CC2(CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CCOCCOc3ccccc3C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,VFVXCGNBNKBTDR-UHFFFAOYSA-N
rxn:1:60224:5033,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C(c1cccc(OCc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c1)SCC(O)=N2,FZCHJUYBVBOFKK-UHFFFAOYSA-N
rxn:1:60252:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)nn3)CC2)CC1,BKSKXDZLYXQGQA-UHFFFAOYSA-N
rxn:1:60414:30850,COC(=O)c1ccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)oc2c1,QUGROWUOIOSABY-UHFFFAOYSA-N
rxn:1:60451:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(S(=O)(=O)O)ccc5o4)nn3)CC2)CC1,SRXZXFIQIGDBID-UHFFFAOYSA-N
rxn:1:61067:25081,Cc1cccc2c1N(Cc1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)C(=O)C21CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12,CYQXSCJEYBSVMT-UHFFFAOYSA-N
rxn:1:61067:30078,Cc1ocnc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)C2)C(=O)NCC1,KUVJBSPIBGGBGZ-DVWRVAPJSA-N
rxn:1:61251:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3C[C@H](n4cc(C)c(N5CCOCC5)nc4=O)O[C@@H]3CO)nn1)CC2,NCYPTRJZVAZSNQ-BVMCONOZSA-N
rxn:1:61436:30396,Cc1cn([C@H]2CC(n3cc(C(=O)N4C[C@H]5C[C@@H](C4)c4cc(C6CC6)ccc4OCCCN(C(=O)c4ccnn4C)CCCN(C)C5=O)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,KJTWATWMIJBONG-BBGYUZLZSA-N
rxn:1:61565:29966,COc1ncc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)C3)c3ccccc3OCC2)cn1,QDLHFLBVFINDPO-VYRLILDNSA-N
rxn:1:61636:30275,O=C1NCC2(CCCN(C(=O)C3CC(F)(F)C3)CC3(CC3)COc3ccccc31)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,FFKXRNGHCSUXLS-BQXNVAMJSA-N
rxn:1:62027:30602,CN1CC2(CCCN(C(=O)c3cscn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(COc4nc(N)nc5[nH]cnc45)cc3)nn1)CC2,NYKORQGRSANZAP-UHFFFAOYSA-N
rxn:1:62075:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CCCO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@H]7[C@H]([C@H](C)[C@H]8CC[C@H](C)CN87)[C@@]6(C)CC[C@@H]54)C3)nn2)c2cc3c(cc21)OCCO3,JXKBMTOQRJVNSX-JNDZUVPTSA-N
rxn:1:62112:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BAARXLICTCFWBZ-UHFFFAOYSA-N
rxn:1:62136:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,JSHJZVLAMZVZBL-UHFFFAOYSA-N
rxn:1:63311:30620,COc1ncc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)cn1,ITLZFWBGKFYIDQ-UHFFFAOYSA-N
rxn:1:63919:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)n(C)n4)C3)nn1)CC2,ZGVFGIUDXZDDRP-UHFFFAOYSA-N
rxn:1:64318:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(Br)cc4C(=O)O)C3)nn1)CC2,QNCVDNMCELBWNV-UHFFFAOYSA-N
rxn:1:64321:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Cl)cc(F)cc4C(=O)O)C3)nn1)CC2,KULUNLJJDNNOTI-UHFFFAOYSA-N
rxn:1:64575:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCCC5)c(C#N)c4)C3)nn1)CC2,JLKKTDBPOMIQGN-UHFFFAOYSA-N
rxn:1:64733:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCCCC5)cn4)C3)nn1)CC2,WJDIKTGKUQAGJT-UHFFFAOYSA-N
rxn:1:64734:30723,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)cn5)C4)nn3)CC2)N1,SZFFRIQVVQQYOC-UHFFFAOYSA-N
rxn:1:65468:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N6CCCCC6)nc(N)n5)C4)nn3)CC2)CC1,BTYGNQNUPAPQCJ-UHFFFAOYSA-N
rxn:1:41044:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC=Cc4ccc(Cl)cc4CC(=O)O)nn2)CC3)cn1,PWXFJDODHAGCSK-UHFFFAOYSA-N
rxn:1:44043:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)nn1)CC2,JOSNULBIXBKWKU-XCZDWVJKSA-N
rxn:1:44403:30172,Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2cc(C3CC3)ccc2OCCC1,GEWIORBFGYJDDD-YQQBEAKSSA-N
rxn:1:45170:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC#Cc3ccc4oc(=O)c(C(=O)O)cc4c3)nn1)CC2,JQMVRESZXIEKPO-UHFFFAOYSA-N
rxn:1:46780:30907,CC1(C)OB(C(=Cc2cccc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c2)CO)OC1(C)C,OFOPANCFBUFZGW-UHFFFAOYSA-N
rxn:1:47374:30629,Cc1ccc(S(=O)(=O)Nc2nc(C)c(Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)n2)cc1,JXYNKAXLIKSMHT-UHFFFAOYSA-N
rxn:1:47516:30620,COc1cc(N)cc(C(O)C(O)Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)c1,LLWALWWOGFPVCT-UHFFFAOYSA-N
rxn:1:47945:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(S(N)(=O)=O)c(Cl)c3)nn1)CC2,OAXLANXLEJCWDF-UHFFFAOYSA-N
rxn:1:48468:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(O)[C@H](O)[C@@H](CO)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,WGPVGOPKFOUUSI-HZWQAJNASA-N
rxn:1:48761:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3c(N)cccc3F)nn1)CC2,ZUGPDQDNUICOGM-UHFFFAOYSA-N
rxn:1:49001:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5sc(N)nc5c4)nn3)CC2)CC1,UGPZVHCRTLNLPB-UHFFFAOYSA-N
rxn:1:49116:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4ncc(Cl)nc4c3)nn1)CC2,RURHMZPJWJOHCT-UHFFFAOYSA-N
rxn:1:49448:9252,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn2)c2ccccc21,IKSNUMGBNJIFGT-UHFFFAOYSA-N
rxn:1:58999:30307,Cc1nccc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C(C3)c3ccccc3OCC2)n1,SHSJEGLKLDTCJO-RZLHBFAXSA-N
rxn:1:58999:30514,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCCC6(CCN(C(=O)c7cscn7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,NVHQONBXCJHROF-OPUDWPCZSA-N
rxn:1:59595:24435,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)C4)s3)nn2)c2ccccc21,ISBOUUZZJQPVQU-UHFFFAOYSA-N
rxn:1:60009:25091,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)c2c(Cl)cccc21,CVZVBDSLVMVDNQ-MTIIZZIISA-N
rxn:1:60009:30254,Cc1cc(F)cc(C)c1C(=O)N1CCCn2nc(ccc2=O)C(=O)N(C)CC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,RHKZVMFVTHMSQE-XYFKDZRBSA-N
rxn:1:60224:30498,CN1CC2(CCCN(Cc3ccc(Cl)cn3)CCCCOc3ccccc3C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,GEEJEGFLDBBQMQ-UHFFFAOYSA-N
rxn:1:60224:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,OPWYVWAWMARMQE-UHFFFAOYSA-N
rxn:1:60224:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,GJVKWUYUBOLFOE-UHFFFAOYSA-N
rxn:1:60411:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(Cl)cc(Br)c6o5)c4)nn3)CC2)N1,HKDXCMTUNLTQTD-UHFFFAOYSA-N
rxn:1:60946:30734,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCC1,UTMLNTKBPDCDKU-UDMRQUEHSA-N
rxn:1:61636:29926,Cc1csc(CN2CCCC3(CCN(C(=O)c4cn(-c5nc(I)c6ncn([C@@H]7O[C@H](CO)[C@@H](O)[C@H]7O)c6n5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)n1,QFRIBASIUGEKAW-BLEKNJQLSA-N
rxn:1:61923:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5(O)C(O)C(CO)OC5n5cnc6c(=O)[nH]c(N)nc65)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,NDEWZTKPUWXKGX-UHFFFAOYSA-N
rxn:1:62084:30922,CCC(=O)Nc1nc2c(s1)C(O)C(n1cc(C(=O)N3CCC4(CCCN(C(=O)c5ncoc5C)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn1)CC2,MZICQRRRYUVJLV-UHFFFAOYSA-N
rxn:1:62105:29800,O=C1CCC(N2C(=O)c3ccc(N4CCCC(Cn5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6ccc8ncccc8c6)CCCOc6ccccc67)nn5)C4)cc3C2=O)C(=O)N1,TWUKWJHAYALXAV-VKXIFDRUSA-N
rxn:1:62116:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,YQHOEPLQCCREON-UHFFFAOYSA-N
rxn:1:62123:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,LTKLYUKKNHRBBD-UHFFFAOYSA-N
rxn:1:62811:30635,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccc(F)cc2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(CC5CCCN(C6CCCC6)C5)C4)nn3)CC2)N1,PYUJMWRYMWCSMC-UHFFFAOYSA-N
rxn:1:63662:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(-c6ccc(Br)cc6)c(C)s5)C4)nn3)CC2)CC1,SJUJRHIDOZLKDA-UHFFFAOYSA-N
rxn:1:64215:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4ccc5nccnc5c4)C3)nn1)CC2,ZTEJYXAOMWDMRU-UHFFFAOYSA-N
rxn:1:64668:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-c6nnco6)cc5)C4)nn3)CC2)CC1,YQKNMOGPZBWNFM-UHFFFAOYSA-N
rxn:1:64674:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)cc4)C3)nn1)CC2,WRQDERYYLUPYJO-UHFFFAOYSA-N
rxn:1:44403:30467,Cc1nc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn2)CC3)co1,SEVXWVXIDCUUOW-UUFFRIIDSA-N
rxn:1:44403:30697,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccccc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,XHYFCZHAYRUFBI-ASUIAXSDSA-N
rxn:1:46783:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3C(CO)OC(n4cc(F)c(=O)[nH]c4=O)C3O)nn1)CC2,FZXYTUIWYUDJQT-UHFFFAOYSA-N
rxn:1:48141:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)nn3)CC2)CC1,HIJGNNWIWQYVKQ-UHFFFAOYSA-N
rxn:1:48923:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc(N)c(F)c4Cl)nn3)CC2)CC1,VANIHOPCBMHFKY-UHFFFAOYSA-N
rxn:1:49122:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4nccc(Cl)c4c3)nn1)CC2,KYQBKPVYHCVOHG-UHFFFAOYSA-N
rxn:1:49281:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4c[nH]c5ncc(Br)cc45)nn3)CC2)CC1,NILURMJLHNLHSJ-UHFFFAOYSA-N
rxn:1:49288:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc(Cl)c5cccnc5c4O)nn3)CC2)CC1,NGZTTYCPVRRFSJ-UHFFFAOYSA-N
rxn:1:51497:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(-c5cc(C(=O)O)[nH]n5)cc4)C3(F)F)nn1)CC2,UQJLMHJGOYTQES-UHFFFAOYSA-N
rxn:1:52961:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4cc(Cl)c(C(=O)O)cc4F)nn3)CC2)CC1,ASLIZKJAVDDPMR-UHFFFAOYSA-N
rxn:1:60009:29790,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(Cc3cnco3)CCCOc3ccc(C5CC5)cc34)nn2)NC(=O)Cc2ccccc2CN1,CNBOHEIRIGPUHG-GQQXQQMZSA-N
rxn:1:60224:11530,COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)N(Cc1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)c1ccccc12,BKJVBASNWKDLIY-UHFFFAOYSA-N
rxn:1:60224:30497,Cc1cc2n(n1)CCCN(Cc1ncccc1F)CCCC1(CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC1)CN(C)C2=O,IZZPTFMYSZONMP-UHFFFAOYSA-N
rxn:1:60224:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,OCWDZMFFXTZFTP-UHFFFAOYSA-N
rxn:1:60391:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)c4)nn3)CC2)N1,JQQGBYIXFAPKNX-UHFFFAOYSA-N
rxn:1:60395:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7ccc(C(=O)O)cc7o6)c5)nn4)CC3)CC2)co1,IOEPKQPTRYKKMI-UHFFFAOYSA-N
rxn:1:60404:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7ccc([N+](=O)[O-])cc7o6)c5)nn4)CC3)CC2)co1,AZPONPSULDDKPH-UHFFFAOYSA-N
rxn:1:60412:30801,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,SODJWLPPEVRHKN-UHFFFAOYSA-N
rxn:1:60448:30628,COC(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,ZGOLEWFCWHNYNT-UHFFFAOYSA-N
rxn:1:60452:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4cccc(C(F)(F)c5nc6cc(S(=O)(=O)O)ccc6o5)c4)nn2)CC3)cn1,BRDGYTWIOYQVCD-UHFFFAOYSA-N
rxn:1:60632:30628,CC1(C)O[C@@H]2[C@H](O1)[C@@H](Cn1cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)O[C@H]2n1cnc2c(N)ncnc21,RZYWVBCPOCBAHH-KMADASDMSA-N
rxn:1:61067:25061,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccc(F)cc21,KJVDZBQIFOGJJK-UHFFFAOYSA-N
rxn:1:61067:25072,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2c(Cl)cc(Cl)cc21,ACOLKBBWKDIMIH-UHFFFAOYSA-N
rxn:1:62024:30734,Nc1ncnc2c1nc(-n1cc(C(=O)N3CCC(C4CCN(C(=O)C5CCCCC5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)n2[C@@H]1O[C@H](CO)[C@H](O)C1O,GTAAOPWXFHHPCN-WKFCIKHGSA-N
rxn:1:62105:29906,CN1CC2(CCCN(Cc3ccc4nccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,DEQOTYFLSXSJFJ-UHFFFAOYSA-N
rxn:1:62115:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,PYBCRFMHNTYTNP-UHFFFAOYSA-N
rxn:1:62130:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,AHBVJVXKKCLBAY-UHFFFAOYSA-N
rxn:1:62257:30233,CN1CC2(CCCN(C(=O)C3(c4ccccc4F)CC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,AHQUXPXJLMWRQB-BXNVXZKDSA-N
rxn:1:64568:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(OC(F)(F)F)c(Br)c4)C3)nn1)CC2,CKMJIIAUCZNGSE-UHFFFAOYSA-N
rxn:1:64595:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,GCUXOFYOWUIXIM-UHFFFAOYSA-N
rxn:1:64765:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)cc5OC(F)(F)F)C4)nn3)CC2)CC1,HIKIBIIAGMDZSR-UHFFFAOYSA-N
rxn:1:65086:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5c4ncn5CCO)C3)nn1)CC2,SVBAVLAGZNEUCQ-UHFFFAOYSA-N
rxn:1:65414:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(-c6ccc(Br)cc6)cs5)C4)nn3)CC2)CC1,KOBLLPRBPWMIED-UHFFFAOYSA-N
rxn:1:44403:30668,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccncc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DMNSAGNYMMLPHA-KDVNBTEKSA-N
rxn:1:46584:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC=Cc3nc4c([nH]3)c(=O)[nH]c(=O)n4C)nn1)CC2,LBNBJVXLXUAWSF-UHFFFAOYSA-N
rxn:1:48113:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc(N5CCN(C)CC5)cc4)nn3)CC2)CC1,UAJHFDYWVBWGMG-UHFFFAOYSA-N
rxn:1:48397:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4c[nH]nc4-c4cccc(F)c4)nn3)CC2)CC1,IMPYBDNFXQQNJM-UHFFFAOYSA-N
rxn:1:48405:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)nn3)CC2)CC1,AOGFZYZGKFPRDV-UHFFFAOYSA-N
rxn:1:48932:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc(Cl)cc(N)c4O)nn3)CC2)CC1,VARCFIJBPSRREW-UHFFFAOYSA-N
rxn:1:49114:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4c(Cl)ncnc4c3)nn1)CC2,BOJAWAGOXBTDKN-UHFFFAOYSA-N
rxn:1:49281:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3c[nH]c4ncc(Br)cc34)nn1)CC2,QCJHZSZSUJIRQO-UHFFFAOYSA-N
rxn:1:49285:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5ncnc(Cl)c5c4)nn3)CC2)CC1,QMDALBHVLPDPCZ-UHFFFAOYSA-N
rxn:1:49288:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc(Cl)c5cccnc5c4O)nn3)CC2)CC1,AWTVQIFJQLRJGZ-UHFFFAOYSA-N
rxn:1:52719:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc(C(=O)O)c(Cl)c4)nn3)CC2)CC1,XUCWOZYYFQUQMU-UHFFFAOYSA-N
rxn:1:53144:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc(-n5cncn5)cc4)nn3)CC2)CC1,GQOPNMWIWABYCX-UHFFFAOYSA-N
rxn:1:58999:30332,COc1ccc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C(C3)c3ccccc3OCC2)cn1,HQBXXVAUWTZYMD-CUGSXQLMSA-N
rxn:1:59665:25119,Cc1cc(C)cc(C(c2nc(SC(C)C)[nH]c(=O)c2C)n2cc(CN3C(=O)C4(CC(O)=Nc5c4c(C)nn5-c4ncnc5[nH]cnc45)c4cc5c(cc43)OCCO5)nn2)c1,BNCAHPKYCDVNCC-UHFFFAOYSA-N
rxn:1:59695:30601,CO[C@@H]1[C@H](O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cscn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)O[C@H]1n1cc(C)c(=O)[nH]c1=O,PCZASHPXIWAUEH-MDKWHNKZSA-N
rxn:1:60224:22045,CC(c1ccc(O)cc1F)n1nc(C2CCCC2)cc1-c1cn(CC(C)(C)C(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)nn1,YLKNGSRGDTZADX-UHFFFAOYSA-N
rxn:1:60224:30235,Cc1cc(C)cc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn2)CC3)c1,QQFZMFIGZOWQHE-UHFFFAOYSA-N
rxn:1:60224:9363,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6cccc(Cl)c6)C6=C5C(=O)OC6)c5ccccc53)nn2)CC4)cn1,MWXWMNXPCBYFII-UHFFFAOYSA-N
rxn:1:60412:30680,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cccnc6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,GALQWZKRPPBMMT-UHFFFAOYSA-N
rxn:1:60412:30871,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,WZTGDKOJTSQQGH-UHFFFAOYSA-N
rxn:1:60415:30628,COC(=O)c1ccc2nc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)oc2c1,MNYYTISAYJJKQQ-UHFFFAOYSA-N
rxn:1:60433:30628,Cc1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,ZHLVQBZZXQKMLB-UHFFFAOYSA-N
rxn:1:60629:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@@H](N6)C(O)[C@H]5O)[C@H](O)C4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,JEGHSTSARZTXGK-KJGIIMIQSA-N
rxn:1:61067:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CC2,KCASJGTXEWHOAS-UHFFFAOYSA-N
rxn:1:61565:30169,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cncc(F)c6)CCCOc6ccc(C8CC8)cc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,RHSHSNHWLCZJND-MLUAAIHJSA-N
rxn:1:62075:25061,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CCCO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@H]7[C@H]([C@H](C)[C@H]8CC[C@H](C)CN87)[C@@]6(C)CC[C@@H]54)C3)nn2)c2ccc(F)cc21,OQLINEHVWPICQF-CEQKPYKJSA-N
rxn:1:62105:30714,CN1CC2(CCCN(C(=O)C3CCCC3)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FIBCPPWFCSHBBX-UHFFFAOYSA-N
rxn:1:62360:30492,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(C(=O)N4CCC5(CCCN(Cc6cc(C#N)ccc6F)CCCn6nc(C)cc6C(=O)N(C)C5)CC4)nn3)ccc1-2,ANPMDQBWHMLEGK-UHFFFAOYSA-N
rxn:1:63662:30668,Cc1sc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)nc1-c1ccc(Br)cc1,YSOIDOYFHLOJQD-UHFFFAOYSA-N
rxn:1:63662:30907,Cc1sc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)nc1-c1ccc(Br)cc1,HGUWDPZNNVULPA-UHFFFAOYSA-N
rxn:1:64475:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(CO)ccc4Br)C3)nn1)CC2,WVOGXUJVEBRUTK-UHFFFAOYSA-N
rxn:1:44403:30190,Cc1cc2c(cc1CN1CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C1)OCO2,XUDIHWKOGKIFGC-XOPCKNILSA-N
rxn:1:47719:30620,CC(=O)c1cccc(C(O)C(O)Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)c1F,AIKWKNKEWZBLDP-UHFFFAOYSA-N
rxn:1:49233:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C(=O)c4cc(C(=O)c5ccc(Cl)cc5Cl)c[nH]4)nn3)CC2)CC1,QLNVTNLGEOYZJV-UHFFFAOYSA-N
rxn:1:49286:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccnc4cc(Cl)ccc34)nn1)CC2,XAGHVKWSIXKBGX-UHFFFAOYSA-N
rxn:1:49290:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,SSIDHFPPRRQBBN-LHEWISCISA-N
rxn:1:58999:30066,Cc1ncsc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)C(=O)NCC1,XSANVINHMAWCIW-VOUXLXJQSA-N
rxn:1:58999:30112,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)CC3)CN(C)C(=O)c3ccnn3CC2)co1,WCBMYWYIDSIQJQ-BMFVCTCHSA-N
rxn:1:59415:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4C(CO)OC(n5cnc6c(N)ncnc65)C4F)nn3)CC2)CC1,MLQQOVFJLRJVLZ-UHFFFAOYSA-N
rxn:1:60009:25072,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)c2c(Cl)cc(Cl)cc21,OOTQTAGEHKRGHV-MTIIZZIISA-N
rxn:1:60009:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)c2c(Br)cc(Cl)cc21,PECZXUSMDUXBMT-MTIIZZIISA-N
rxn:1:60009:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)c2cc3c(cc21)OCCO3,TVJIGBHOMJJTSG-SZHSFQGOSA-N
rxn:1:60224:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,NIENZSAIWZXUQE-UHFFFAOYSA-N
rxn:1:60224:30250,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,UDQIODRSEHXADB-UHFFFAOYSA-N
rxn:1:61251:30396,Cc1cn([C@H]2CC(n3cc(C(=O)N4C[C@H]5C[C@@H](C4)c4cc(C6CC6)ccc4OCCCN(C(=O)c4ccnn4C)CCCN(C)C5=O)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,RFSDJUBYYPYXQJ-ZIVWOXLDSA-N
rxn:1:61636:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)N1,LOTKEOFZFAMHOK-PHUITYRESA-N
rxn:1:61915:30907,CC(=O)N[C@@H]1[C@@H](O)[C@@H]2OC(c3ccccc3)OC[C@H]2O[C@H]1n1cc(C(=O)N2CCC(C3CCN(C(=O)c4cncc(F)c4)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1,ODSJNMNTWJNGBT-ZVZAKQNYSA-N
rxn:1:62112:30727,Cc1cc2n(n1)CCCCN(C(=O)C1CCCC1)CCCC1(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,IXOWSHAKGOUOEH-UHFFFAOYSA-N
rxn:1:62114:30060,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC7(CCCN(C(=O)C8CCC8)CCCc8ccccc8C(=O)NC7)CC6)nn5)CC4)cc3C2=O)C(=O)N1,UTGCMNTWFGQIMH-UHFFFAOYSA-N
rxn:1:62114:30195,COc1ccc(CN2CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,ZXXMRNUVPZAKAE-UHFFFAOYSA-N
rxn:1:62130:30774,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CN(c5ccc(N6CCOCC6)c(F)c5)C(=O)O4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,IJXCKGJGSRUGQL-UHFFFAOYSA-N
rxn:1:62170:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H](F)[C@H]3O)nn1)CC2,YCVPCMVTWGOIPG-OFBINQJXSA-N
rxn:1:63662:30628,Cc1sc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)nc1-c1ccc(Br)cc1,PQWTVYRFPKAMNT-UHFFFAOYSA-N
rxn:1:64314:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)c(Br)cc4C(=O)O)C3)nn1)CC2,YPXXSLGBFZZTBA-UHFFFAOYSA-N
rxn:1:64636:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N)c([N+](=O)[O-])c4)C3)nn1)CC2,MZWYPHFVATVLDA-UHFFFAOYSA-N
rxn:1:64664:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-c6nnc(S)o6)cc5)C4)nn3)CC2)CC1,YWFWPFMUHUMQHV-UHFFFAOYSA-N
rxn:1:64666:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-c6cnco6)cc5)C4)nn3)CC2)N1,IFIDPHZOBRAAMC-UHFFFAOYSA-N
rxn:1:64865:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccccc5-n5cnnn5)C4)nn3)CC2)CC1,VOLCYTXNOQAKAF-UHFFFAOYSA-N
rxn:1:65059:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(Cl)nc6ccc(Br)cc56)C4)nn3)CC2)CC1,JLXRXTWLLCYINM-UHFFFAOYSA-N
rxn:1:65236:30723,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(CN6CCOCC6)cc5)C4)nn3)CC2)N1,HLIANKMJCVYOKW-UHFFFAOYSA-N
rxn:1:65294:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(Cl)c5-n5ccnc5)C4)nn3)CC2)CC1,FIZJJRWISGLLFQ-UHFFFAOYSA-N
rxn:1:65332:30723,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(N6CCOCC6)c5)C4)nn3)CC2)N1,QPODQONRGZWKRY-UHFFFAOYSA-N
rxn:1:44403:30423,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccc(F)c(F)c8)CCCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WEGKRHXEFPAFRZ-WXHBDOGISA-N
rxn:1:44403:30901,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCOC7(CCCN(C(=O)c8cncc(F)c8)CCCCn8nccc8C(=O)N(C)C7)C6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,UELDJNHRNBQXHZ-GTIVUVCJSA-N
rxn:1:45148:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC#Cc3cccc4c(C(=O)O)cccc34)nn1)CC2,YJLQHNGBMNOIJV-UHFFFAOYSA-N
rxn:1:48388:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(Cc4nnc5cc(-c6nc(-c7ccccc7)no6)ccn45)nn3)CC2)N1,NVSLEENFXRICRB-UHFFFAOYSA-N
rxn:1:48395:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4c[nH]nc4-c4ccc(Cl)cc4)nn3)CC2)CC1,INQBFVOAGYEUHY-UHFFFAOYSA-N
rxn:1:48876:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc(Cl)c(O)cc4Cl)nn3)CC2)CC1,YVXSDOVIAOWMJG-UHFFFAOYSA-N
rxn:1:49278:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4n[nH]c5cc(Br)ccc45)nn3)CC2)CC1,VFUKMXBZZLFMOP-UHFFFAOYSA-N
rxn:1:49287:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC(O)C(O)c3c[nH]c4nc(Cl)nc(Cl)c34)nn1)CC2,WTWRMLLCECBHHP-UHFFFAOYSA-N
rxn:1:49448:30668,O=C1CCC(N2C(=O)c3cccc(N4CCN(CCn5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccncc8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC4)c3C2=O)C(=O)N1,JEZMTWKPEAADCQ-UHFFFAOYSA-N
rxn:1:51733:30432,Cc1cn(C2CC(n3cc(C(=O)N4C[C@H]5C[C@@H](C4)c4cc(C6CC6)ccc4OCCCN(C(=O)C4CCC4)CCCN(C)C5=O)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,IOMVAJGAGIKPEW-JIIKGJRVSA-N
rxn:1:58999:30301,COc1cncc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C(C3)c3ccccc3OCC2)c1,PYEDINIYYFFMTN-JLCOBAOUSA-N
rxn:1:58999:30405,CC(=O)N1CCCOc2ccccc2C(=O)NCC2(CC1)CN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCO2,XBHFVHQDZGXNEZ-PFWQFCPCSA-N
rxn:1:60009:30173,Cc1ocnc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)C2)c2cc(C3CC3)ccc2OCC1,ANNCPBALUKAGON-COYRQTLCSA-N
rxn:1:60412:30891,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6coc(C)n6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,KRSHAHYAQDYCKG-UHFFFAOYSA-N
rxn:1:60413:30748,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(C)=O)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,FWPVRZYRWNNYJV-UHFFFAOYSA-N
rxn:1:60415:30690,COC(=O)c1ccc2nc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)oc2c1,FLDCNDHJTAPHDZ-UHFFFAOYSA-N
rxn:1:60456:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(S(N)(=O)=O)ccc4o3)nn1)CC2,CBNCQGPFSRTJRU-UHFFFAOYSA-N
rxn:1:61067:30034,Cc1ncncc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)[C@H](C2)C(=O)NCC1,SLBOQFRROQHUBX-XIKICDSYSA-N
rxn:1:61067:30828,CCn1cc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn2)C3)cn1,DJHBNOAKFRCRDF-UHFFFAOYSA-N
rxn:1:61251:30432,Cc1cn([C@H]2CC(n3cc(C(=O)N4C[C@H]5C[C@@H](C4)c4cc(C6CC6)ccc4OCCCN(C(=O)C4CCC4)CCCN(C)C5=O)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,IOMVAJGAGIKPEW-PKRDSBBUSA-N
rxn:1:61475:30908,CN1CCC(NC(=O)c2ccc(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)s2)CC1,SKDMACSCTUYUNL-UHFFFAOYSA-N
rxn:1:61636:29796,CCn1cc(CN2CCCC3(CCN(C(=O)c4cn(-c5nc(I)c6ncn([C@@H]7O[C@H](CO)[C@@H](O)[C@H]7O)c6n5)nn4)CC3)COc3ccccc3C(=O)N(C)CC2)c(C)n1,ILFYAXGAYDXHNK-JEQJLXBKSA-N
rxn:1:61636:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,OVGABFSONYFYJK-ONGLYRFXSA-N
rxn:1:62110:30446,CN1CCCN(C(=O)c2ccon2)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CCN(C)c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)C2)C1=O,WSRNDLOVJOJOGH-WUBAPKTKSA-N
rxn:1:62115:30648,CN1CC2(CCCN(C(=O)c3ccnn3C)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JSIVHRDFFYOGOC-UHFFFAOYSA-N
rxn:1:62130:30680,CN1CC2(CCCN(C(=O)c3cccnc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,YMGGRDQTJBZAAG-UHFFFAOYSA-N
rxn:1:63226:30613,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)cc1Br,KFCBYOINCLXCIE-UHFFFAOYSA-N
rxn:1:63247:30613,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(C(F)(F)F)c1,HQLZOMXXDMYGTE-UHFFFAOYSA-N
rxn:1:64320:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(F)cc4C(=O)O)C3)nn1)CC2,UPARNFPZFMPWCZ-UHFFFAOYSA-N
rxn:1:64677:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(C(=O)N5CCCC5)cc4)C3)nn1)CC2,FUBLNFSNXMZIOG-UHFFFAOYSA-N
rxn:1:64690:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)cc5)C4)nn3)CC2)N1,MGJUFWLTRITKRX-UHFFFAOYSA-N
rxn:1:64888:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccccc4S(=O)(=O)O)C3)nn1)CC2,FFAVPOAFQGTVAY-UHFFFAOYSA-N
rxn:1:65064:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(Cl)nc5c(Br)cccc45)C3)nn1)CC2,XRDAXMLGVIHQQT-UHFFFAOYSA-N
rxn:1:39926:30842,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCCC5(CCCN(C(=O)c6cccnn6)CCCCn6nc(C)cc6C(=O)N(C)C5)C4)nn3)c12,NZSZLSJTGKXOSB-UHFFFAOYSA-N
rxn:1:47374:30601,Cc1ccc(S(=O)(=O)Nc2nc(C)c(Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)n2)cc1,FWHSLKOSTAFPBW-UHFFFAOYSA-N
rxn:1:47374:30850,Cc1ccc(S(=O)(=O)Nc2nc(C)c(Cl)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)n2)cc1,MYUCBZVDNADYNU-UHFFFAOYSA-N
rxn:1:50566:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc6cnn(C)c6c5)C4(F)F)nn3)CC2)CC1,AWXFDDLIPKATMJ-UHFFFAOYSA-N
rxn:1:51216:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(-c5c[nH]cn5)cc4)C3(F)F)nn1)CC2,WTNDPNJKGXYPEN-UHFFFAOYSA-N
rxn:1:58999:30028,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5cncc(F)c5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,REMWINZFYBXVBK-GGJQTRHMSA-N
rxn:1:58999:30274,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)C5CC(F)(F)C5)CCCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,NXISQQPARRGMFE-NIFOAFDQSA-N
rxn:1:59585:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC(=C(F)B3OC(C)(C)C(C)(C)O3)c3ccc(O)c(C(N)=O)c3)nn2)c2ccccc21,JWWMEQZEDAYBJS-UHFFFAOYSA-N
rxn:1:60009:30402,CN1CC2(CCCN(C(=O)c3ccccn3)CC3(CC3)COc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,SNQBFXXPXNNRKJ-YQZOKAAQSA-N
rxn:1:60009:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,YUZXLJXJVZKPGD-JFDROPRKSA-N
rxn:1:60224:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,KXOKKUATQSESJE-UHFFFAOYSA-N
rxn:1:60396:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(C(=O)O)ccc4o3)nn1)CC2,BBYHWCNWLPWQRK-UHFFFAOYSA-N
rxn:1:60413:30868,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,JIXJCRQDMKCRTP-UHFFFAOYSA-N
rxn:1:60459:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(Cl)c([N+](=O)[O-])cc6o5)c4)nn3)CC2)N1,SWGUGPMQWSSYKR-UHFFFAOYSA-N
rxn:1:60893:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN3CC(O)C(n4ccnc4)C3)nn1)CC2,QOWWQBRPGBGDFT-UHFFFAOYSA-N
rxn:1:61067:29881,COc1ccc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)c3ccccc3OCC2)cn1,KEUBWJCELSDOKT-XKMJBDKYSA-N
rxn:1:61482:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)s3)nn1)CC2,NXWUEVZPDILBII-UHFFFAOYSA-N
rxn:1:61565:4622,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C(c1cccc(OCc3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)c1)CC(O)=N2,KQKILATWMKCMFU-QKSOFVJZSA-N
rxn:1:61769:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(-c4ccc(OC(F)(F)F)cc4Br)nn3)CC2)N1,PBVPEFHNWCWHDM-UHFFFAOYSA-N
rxn:1:62111:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,JYILHEVFGIJSLZ-UHFFFAOYSA-N
rxn:1:62111:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)CC3)CC2)co1,DONIRPAVRJFISZ-UHFFFAOYSA-N
rxn:1:62115:29920,COc1ccc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)cn1,SJTLJUWMSZQQCE-UHFFFAOYSA-N
rxn:1:62115:30757,CN1CC2(CCCN(C(=O)CC3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VOBVMTLELJGXHC-UHFFFAOYSA-N
rxn:1:63152:30868,COC(=O)c1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Br,RZEZQNKJHJATRH-UHFFFAOYSA-N
rxn:1:63236:30850,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ccc1Br,VXBXKMMVWLRTHM-UHFFFAOYSA-N
rxn:1:63662:30137,Cc1nn2c(C)c1CN(C(=O)c1ccnn1C)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(-c5ccc(Br)cc5)c(C)s4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,HUAYLTWMBRXHMZ-UHFFFAOYSA-N
rxn:1:64504:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(C(=O)O)ccc4Cl)C3)nn1)CC2,VDWZTWXRFUYJEQ-UHFFFAOYSA-N
rxn:1:64925:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6c(C#N)cnn6-c6ccc(Br)cc6)C5)nn4)CC3)CC2)co1,LEZIIKBHPUHUCC-UHFFFAOYSA-N
rxn:1:65235:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(CN6CCCCC6)cc5)C4)nn3)CC2)N1,WPHUOEHDOMEXHZ-UHFFFAOYSA-N
rxn:1:65236:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(CN5CCOCC5)cc4)C3)nn1)CC2,JQMAQASCLWNAQG-UHFFFAOYSA-N
rxn:1:65582:30671,CN1CC2(CCCN(C(=O)c3ccncc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(-c5ccncc5)s4)C3)nn1)CC2,CGWDFSCDVFTEKW-UHFFFAOYSA-N
rxn:1:65589:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nnc(C6CCCC6)s5)C4)nn3)CC2)CC1,IDRDYSSAPBYXHA-UHFFFAOYSA-N
rxn:1:39926:30161,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCNC(=O)c5cccc(c5)OCCCn5nc(C)c(c5C)CN(C(=O)c5cccnn5)CC4)nn3)c12,IDWIUOGUHLCECM-UHFFFAOYSA-N
rxn:1:48388:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3nnc4cc(-c5nc(-c6ccccc6)no5)ccn34)nn1)CC2,WLYDEPUNPBTFJD-UHFFFAOYSA-N
rxn:1:51733:30723,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,RGDJOLXGTZXRBQ-UHFFFAOYSA-N
rxn:1:51733:30725,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCC6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,WCUOVABDPWLSBT-UHFFFAOYSA-N
rxn:1:58999:29877,COc1ncc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)c3ccccc3OCC2)cn1,HESCDJCXKDENBT-IGYLOLJDSA-N
rxn:1:58999:30085,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6CC5c5ccccc5OCCN(C(=O)c5cscn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,NLDTXFVWQGZJJD-WSZROEOZSA-N
rxn:1:58999:30892,Cc1cc2n(n1)CCCN(C(=O)c1coc(C)n1)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)CCO1,HQDATYKTEXBYDZ-ONVKSOSMSA-N
rxn:1:60009:25102,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn2)c2ccc(Cl)cc21,WLMWCJYBQMYADR-MTIIZZIISA-N
rxn:1:60224:30015,CCn1cc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)c3ccccc3OCCC2)cn1,LERIQCYVYLTTOX-UHXGMAGISA-N
rxn:1:60224:30935,CN1CC2(CCCN(C(=O)c3ccc(F)cn3)CCCCn3nccc3C1=O)CCCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)C2,YWHOAGCMSIECIV-UHFFFAOYSA-N
rxn:1:60413:30181,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCNC(=O)c6cccc(c6)OCCCn6nc(C)c(c6C)CN(Cc6ccnc7ccccc67)CC5)nn4)c3)nc2c1,WSROGIULYCWYJV-UHFFFAOYSA-N
rxn:1:60413:30463,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7coc(C)n7)CC7(CC7)COc7ccccc7C(=O)N(C)C6)CC5)nn4)c3)nc2c1,XEVHWVUXFYVLHT-UHFFFAOYSA-N
rxn:1:60425:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(Cl)ccc5o4)nn3)CC2)CC1,ZJBRPHDJYYUXET-UHFFFAOYSA-N
rxn:1:61067:30132,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cnccn5)CCCOc5ccc(C7CC7)cc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,SOTNHMOQEZDYMV-GFGPDLMYSA-N
rxn:1:61565:29834,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6cnc8ccccn68)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,FGHATAXMXCKDCS-GJKSQPQKSA-N
rxn:1:61565:30017,Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCCC1,ZFYFSGZSDIQIIY-DNJZETTESA-N
rxn:1:61565:30042,Cc1ncsc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)[C@H](C2)C(=O)NCC1,BXJMGFZDPDDYFO-NVSFSLSESA-N
rxn:1:61565:30078,Cc1ocnc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)C2)C(=O)NCC1,IDSWKGUCYIYPBC-ZNOCKQMESA-N
rxn:1:61565:30835,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccon8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,PPRUOABJMXMADV-NPKXCECCSA-N
rxn:1:61565:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,JXVFIPQIKAYXDW-VHZJSCNPSA-N
rxn:1:61616:30907,Nc1nc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,PEIQGNQIIIQBJC-FBDPTQBOSA-N
rxn:1:62241:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@H]3C[C@H](O)[C@@H](CO)O3)nn1)CC2,VPAJLIWQPZJPRH-HEAIWMBWSA-N
rxn:1:62609:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(CC5C(N)C(C)CC5(C)C)C4)nn3)CC2)CC1,LWNUXZHXLKXAOY-UHFFFAOYSA-N
rxn:1:63080:30164,Cc1ncncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3CC(=O)N(c4ccc(N5CCN(C)CC5)cc4)C3)nn2)c2cc(C3CC3)ccc2OCCC1,YNEMQAAHKSJPRR-YLFZQGQTSA-N
rxn:1:63226:30628,COc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)cc1Br,YRMMIXLLKCOHBH-UHFFFAOYSA-N
rxn:1:63357:30602,COc1cncc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,MSEFAJFCSUZHBJ-UHFFFAOYSA-N
rxn:1:63782:30237,Cc1ccccc1C(=O)N1CCCn2nc(ccc2=O)C(=O)N(C)CC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C)ccc6ncccc56)C4)nn3)CC2)CC1,MSRZEWJPSOXUBR-UHFFFAOYSA-N
rxn:1:64508:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CC2,TZLOJRSYFTYQON-UHFFFAOYSA-N
rxn:1:65097:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(-c6cccc(F)c6)n[nH]5)C4)nn3)CC2)N1,OEXKSINMGDBBOO-UHFFFAOYSA-N
rxn:1:65589:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(C5CCCC5)s4)C3)nn1)CC2,SKVWHUWSRHQGNV-UHFFFAOYSA-N
rxn:1:39926:30459,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6C)CCCCn6cc(cn6)C(=O)N(C)C5)CC4)nn3)c12,IVFVEZZULUWSDD-UHFFFAOYSA-N
rxn:1:41800:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC=Cc4cn(-c5ccccc5)nc4-c4ccncc4)nn3)CC2)CC1,ZJYPDLJIKHYKHN-UHFFFAOYSA-N
rxn:1:44403:30429,Cc1ccc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn2)CC3)cn1,QAVGSRLHKINBCS-QQJADSTJSA-N
rxn:1:48056:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc(-n5ccnc5S)cc4)nn3)CC2)CC1,HFPNVTFQQQFYJW-UHFFFAOYSA-N
rxn:1:48072:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc(O)c(-c5ccno5)c4)nn3)CC2)CC1,KYHZRZSEHQCSIV-UHFFFAOYSA-N
rxn:1:49123:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cnc(Cl)c5ccccc45)nn3)CC2)CC1,YYPIMIKIGPJQLG-UHFFFAOYSA-N
rxn:1:50976:30850,COc1cc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)c(OC)cc1Br,OBGJUFNECXMWKX-UHFFFAOYSA-N
rxn:1:51733:29915,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(Cc6ccn7ccnc7c6)CC6(CC6)COc6ccccc6C(=O)NC5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,YJKOXCDHHKQNPY-UHFFFAOYSA-N
rxn:1:51733:30250,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6c(C)cc(F)cc6C)CCCCn6nccc6C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,FXTUTGBUFJQSER-UHFFFAOYSA-N
rxn:1:51733:30494,COc1cncc(CN2CCCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CC(n5cc(C)c(N6CCOCC6)nc5=O)OC4CO)nn2)CC3)c1,COKGFGVOMIDTDR-UHFFFAOYSA-N
rxn:1:51733:30773,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C(C)C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,VRMGMQWEBMNRSJ-UHFFFAOYSA-N
rxn:1:51733:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CC(n5cc(C)c(N6CCOCC6)nc5=O)OC4CO)nn2)CC3)cn1,DKMINIMRLCZDDA-UHFFFAOYSA-N
rxn:1:51733:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CC(n5cc(C)c(N6CCOCC6)nc5=O)OC4CO)nn2)CC3)cn1,GPEJNJULLKVFIG-UHFFFAOYSA-N
rxn:1:60224:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn2)c2cc3c(cc21)OCCO3,XKSFXZVUHQJOBO-UHFFFAOYSA-N
rxn:1:60224:9297,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6cc(Cl)cc(Cl)c6)C6=C5C(=O)OC6)c5ccccc53)nn2)CC4)cn1,YXRRAPFLISWQJT-UHFFFAOYSA-N
rxn:1:60448:30852,COC(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cncnc7C)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,WODILYZRYTYICC-UHFFFAOYSA-N
rxn:1:60599:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@H]4C[C@@H]5CN(C(=O)OC(C)(C)C)C[C@@H]5C4)nn2)CC3)cn1,IYADIWUAPQPGSI-HPYURKAISA-N
rxn:1:61067:29891,COc1cncc(CN2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)c3ccccc3OCC2)c1,OBJGHLKYSWJUNP-YFAVGAKLSA-N
rxn:1:61067:30332,COc1ccc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C(C3)c3ccccc3OCC2)cn1,HQBXXVAUWTZYMD-UHFFFAOYSA-N
rxn:1:61251:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4C[C@H](n5cc(C)c(N6CCOCC6)nc5=O)O[C@@H]4CO)nn2)CC3)cn1,DKMINIMRLCZDDA-YTNVLELGSA-N
rxn:1:62103:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KORFZIGEXYOKOL-UHFFFAOYSA-N
rxn:1:62106:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VMFVYNJGKFOUJP-UHFFFAOYSA-N
rxn:1:62108:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCNc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)CC2)CC1,FWFAPMFEQPXGMW-UHFFFAOYSA-N
rxn:1:62114:30224,CN1CC2(CCCN(C(=O)CC3CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,XEZGEMSWFALQQL-UHFFFAOYSA-N
rxn:1:62608:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(C5C(C)CC(C)(C)C5CN)C4)nn3)CC2)CC1,OSWJZZKSCRDJOL-UHFFFAOYSA-N
rxn:1:63671:30209,Cc1nnc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CC(F)(F)C6)CCCCn6cc(cn6)C(=O)N(C)C5)CC4)nn3)CC2=O)nc1C,MFWHZBLJRYIFLS-UHFFFAOYSA-N
rxn:1:64104:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4cocn4)C3)nn1)CC2,RQRKRTRNTWRPPD-UHFFFAOYSA-N
rxn:1:64382:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(F)c(C(=O)O)c4F)C3)nn1)CC2,GGBRIDSYVUSRIV-UHFFFAOYSA-N
rxn:1:64725:30529,Cc1cc2n(n1)CC1(CC1)CN(C(=O)c1ncoc1C)CCCC1(CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(I)c(F)n5)C4)nn3)CC1)CN(C)C2=O,OBJLNXPYHSVJEB-UHFFFAOYSA-N
rxn:1:64845:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc([N+](=O)[O-])cc5Br)C4)nn3)CC2)CC1,QHDXBQKSLMMPPQ-UHFFFAOYSA-N
rxn:1:65207:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N6CCOCC6)ncn5)C4)nn3)CC2)N1,KSHCCWDPVAGNNP-UHFFFAOYSA-N
rxn:1:65236:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(CN5CCOCC5)cc4)C3)nn1)CC2,VOGUUKPYNZCGRA-UHFFFAOYSA-N
rxn:1:43032:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(-c4ccc(CS(=O)(=O)Cl)cc4)nn3)CC2)N1,DVCNAEMKLQWTEE-UHFFFAOYSA-N
rxn:1:48319:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(-c4ccncc4)cc3)nn1)CC2,DYVWDPSAJMUVCS-UHFFFAOYSA-N
rxn:1:48713:30735,Cc1ncc(C(O)C(O)CCn2cc(C(=O)N3CCC4(CCCN(C(=O)C5CCCCC5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)cc1N,VRBPCPNDGZWTBP-UHFFFAOYSA-N
rxn:1:51733:30907,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,XRBUJVSLFBBHOZ-UHFFFAOYSA-N
rxn:1:58403:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCCc3ccc(S(N)(=O)=O)cc3F)nn1)CC2,LGUZZACFODLXNI-UHFFFAOYSA-N
rxn:1:58999:30073,CC(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)C2)C(=O)NCC1,CVIGQDOPMUCHIC-DKYCDRHCSA-N
rxn:1:59745:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(C(=O)c4ccc5nsnc5c4)CC3)nn1)CC2,GUBVNVMNXWFRBG-UHFFFAOYSA-N
rxn:1:60009:30631,Cc1cc2n(n1)CCCCN(C(=O)c1cnccn1)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,BHTYUJCNHRUWBF-PEKCXUPYSA-N
rxn:1:60224:30209,CN1CC2(CCCN(C(=O)C3CC(F)(F)C3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,NOVYQEQKJFBSJO-UHFFFAOYSA-N
rxn:1:60395:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4cccc(C(F)(F)c5nc6ccc(C(=O)O)cc6o5)c4)nn2)CC3)cn1,JLXXRTYBYHIDLQ-UHFFFAOYSA-N
rxn:1:61067:29878,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccc(C(F)(F)F)nc5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,PUTGEJUUTKKMAG-SSXNNXPJSA-N
rxn:1:61067:30159,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cccnn5)CCCOc5ccc(C7CC7)cc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,VFYKAQWUBYARMI-GFGPDLMYSA-N
rxn:1:61067:30756,CN1CC2(CCCN(C(=O)CC3CCCC3)CCCn3cc(cn3)C1=O)CCCN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)C2,KRXVVMDTJDYOQZ-UHFFFAOYSA-N
rxn:1:61475:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCN(C)CC4)s3)nn1)CC2,CGBUIWAHPMGUDT-UHFFFAOYSA-N
rxn:1:61493:30734,CCN1CCN(C(=O)c2ccc(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)s2)CC1,USZDXOPWJANVJZ-UHFFFAOYSA-N
rxn:1:61565:30192,Cc1nn2c(C)c1CN(Cc1ccnn1C(C)C)CCN(C(=O)c1cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,WCDLQDAKVDDRMY-NXDAISSUSA-N
rxn:1:61616:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,AVQSQXCXJLRZEM-PRSOBFBTSA-N
rxn:1:61965:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC4COP(=O)(O)OC4C3O)nn1)CC2,OJDWTRGBCJKUIZ-UHFFFAOYSA-N
rxn:1:62025:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](F)[C@@H]3O)nn1)CC2,GHBWVDYSWJYSQL-VPHQVXRCSA-N
rxn:1:62077:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(Cc4ccc(-c5ccccc5-c5nnn[nH]5)cc4)nn3)CC2)N1,BYXLXIOTMAUIAJ-UHFFFAOYSA-N
rxn:1:62084:30850,CCC(=O)Nc1nc2c(s1)C(O)C(n1cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)CC2,YUZSKXZRIVJZMX-UHFFFAOYSA-N
rxn:1:62112:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,UCAITKZGEOJYHL-UHFFFAOYSA-N
rxn:1:62241:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@H]3C[C@H](O)[C@@H](CO)O3)nn1)CC2,PCBAJGHNXPTGGZ-DFOKCWARSA-N
rxn:1:62371:30620,Cc1cn([C@H]2C[C@@H](n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO[PH](=O)O)O2)c(=O)[nH]c1=O,JBAKVYHCMHFWQU-QJUVWIGKSA-N
rxn:1:63067:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)CC2)CC1,WJHQUKQRXQOEBT-UHFFFAOYSA-N
rxn:1:63171:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5sc6c(c5C(=O)OC)CCC6)C4)nn2)CC3)cn1,QEDOQDIWTFRKED-UHFFFAOYSA-N
rxn:1:63357:30786,COc1cncc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(C)nc6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,RISXIDYNQSOFAK-UHFFFAOYSA-N
rxn:1:63623:30829,Cc1ccnc(Br)c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cnco5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,KSUNAEWDIWDMPP-UHFFFAOYSA-N
rxn:1:64595:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,IGRWCOXJHVDZGP-UHFFFAOYSA-N
rxn:1:65196:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(F)cc(F)c5C(=O)O)C4)nn3)CC2)CC1,CHEFCSIOAVBQRA-UHFFFAOYSA-N
rxn:1:65468:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N5CCCCC5)nc(N)n4)C3)nn1)CC2,GCOZFIIVQFTVBW-UHFFFAOYSA-N
rxn:1:65572:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(-c5ccc(Cl)cc5)o4)C3)nn1)CC2,ZGHLQODYYXDGNB-UHFFFAOYSA-N
rxn:1:65582:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(-c5ccncc5)s4)C3)nn1)CC2,WWEQSXUZBYSYTJ-UHFFFAOYSA-N
rxn:1:43731:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC#Cc4ccc(C(=O)OC)cc4Br)nn2)CC3)cn1,QGOZQGXXAGCVJN-UHFFFAOYSA-N
rxn:1:48257:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3cnn(-c4ccc(Cl)nn4)c3)nn1)CC2,MDNHHPBQYBHCSZ-UHFFFAOYSA-N
rxn:1:49164:30635,CC1CCCCN1c1nc(N2CCCCC2C)nc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccc(F)cc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)n1,JAFJFMJNMOPIOF-UHFFFAOYSA-N
rxn:1:50023:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)NC[C@H]5OC(O)[C@H](O)[C@@H](O)[C@@H]5O)c(O)c4)nn3)CC2)CC1,NXOHEHHLPMJRLC-IXYHTMDNSA-N
rxn:1:51733:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5CC(n6cc(C)c(N7CCOCC7)nc6=O)OC5CO)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,NXCSAQZTAMTJSV-UHFFFAOYSA-N
rxn:1:51733:30801,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)C6CCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,GSYAJZRIJADDCC-UHFFFAOYSA-N
rxn:1:51733:30802,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,CJENIVNHUQXEMR-UHFFFAOYSA-N
rxn:1:58999:29970,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ccc(C(F)(F)F)nc5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,LPFJSOOIWLPSIU-PRNHLCNRSA-N
rxn:1:58999:30608,Cc1ncsc1C(=O)N1CCCOc2ccc(F)cc2C(=O)NCC2(CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)CC2)CC1,OZICUSRIWKETNY-UHWZESDSSA-N
rxn:1:59728:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(S(=O)(=O)c5c(C)nn(C)c5C)CC4)nn2)CC3)cn1,NWJTYUPBIXFFGQ-UHFFFAOYSA-N
rxn:1:60009:30351,CN1CC2(CCCN(Cc3cnc4ccccn34)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,YLIAPAFOKYZEHU-WVUVGWLZSA-N
rxn:1:60391:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)c4)nn3)CC2)N1,KCPCMINDTHIBDN-UHFFFAOYSA-N
rxn:1:60400:30922,CC(=O)c1cccc2nc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7ncoc7C)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)c3)oc12,JFDRZJSXIHBIMD-UHFFFAOYSA-N
rxn:1:60574:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)C(=N)SC4=NCCN4)nn3)CC2)CC1,MQCPTUMOTYHYMN-UHFFFAOYSA-N
rxn:1:60923:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCN4CCN(c5cnccn5)CC4)nn3)CC2)CC1,IGRUAXKUZAXQLB-UHFFFAOYSA-N
rxn:1:60946:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4C[C@H](n5cc(C)c(N6CCCC6)nc5=O)O[C@@H]4CO)nn2)CC3)cn1,LQIXPFBYFBGWSM-YTNVLELGSA-N
rxn:1:61067:30000,COc1cncc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C3)c3ccccc3OCC2)c1,XYVQYEWMFWPJII-SFSHMVRSSA-N
rxn:1:61067:30307,Cc1nccc(CN2CCCNC(=O)C3CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)C(C3)c3ccccc3OCC2)n1,SHSJEGLKLDTCJO-UHFFFAOYSA-N
rxn:1:61067:30392,Cn1nccc1C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCC1,DMTDYGDPVVPTGN-OQHDHDCRSA-N
rxn:1:61251:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5C[C@H](n6cc(C)c(N7CCOCC7)nc6=O)O[C@@H]5CO)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,NXCSAQZTAMTJSV-FPRBQUIYSA-N
rxn:1:61436:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4C[C@H](n5cc(C)c(N6CCCCC6)nc5=O)O[C@@H]4CO)nn2)CC3)cn1,XFWRXXCFVRFSEV-BZQJCRMFSA-N
rxn:1:61565:30036,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CC[C@H]7C[C@@H]6C(=O)NCCN(C(=O)c6cncc(F)c6)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,YMEBITAHNASAJH-MRHJYHGFSA-N
rxn:1:61996:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4[C@H](Oc5ccc([N+](=O)[O-])cc5F)OC(CO)[C@H](O)[C@@H]4O)nn2)CC3)cn1,KZBYDKRVRKZLQA-OJNGEAICSA-N
rxn:1:62102:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,PCMVSIJPMRVQKW-UHFFFAOYSA-N
rxn:1:62105:30233,CN1CC2(CCCN(C(=O)C3(c4ccccc4F)CC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,MOEZZLKUBHKAOY-UHFFFAOYSA-N
rxn:1:62257:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,LRVPYOICWCIORL-GYZJEHJESA-N
rxn:1:62864:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CC(n5cc(C)c(N6CCCC6)nc5=O)OC4CO)nn2)CC3)cn1,LQIXPFBYFBGWSM-UHFFFAOYSA-N
rxn:1:63086:30432,CN1CCN(CCN2CC(Cn3cc(C(=O)N4C[C@H]5C[C@@H](C4)c4cc(C6CC6)ccc4OCCCN(C(=O)C4CCC4)CCCN(C)C5=O)nn3)CC2=O)CC1,RDOVANLYXBZLQK-NSAPJXRQSA-N
rxn:1:63176:30850,COC(=O)c1cc(Br)ncc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,RZOSEOWQCAJQIW-UHFFFAOYSA-N
rxn:1:63469:30613,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ncc1Br,LKLDDBUJXYABNY-UHFFFAOYSA-N
rxn:1:63558:30735,Cc1ccc(O)c(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,RAADGZVPHFNMAS-UHFFFAOYSA-N
rxn:1:63623:30629,Cc1ccnc(Br)c1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,QQGVGWXEGNTIIN-UHFFFAOYSA-N
rxn:1:63906:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(-c5cccnc5)nn4C)C3)nn1)CC2,NBFVHUBINUQDCZ-UHFFFAOYSA-N
rxn:1:63910:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-c5nncn5C)c4)C3)nn1)CC2,WHJJPAVGYGCCPD-UHFFFAOYSA-N
rxn:1:65236:30173,Cc1ocnc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4CC(=O)N(c5ccc(CN6CCOCC6)cc5)C4)nn3)C2)c2cc(C3CC3)ccc2OCC1,BQUJPBUWXVAYEA-FYSNGRBFSA-N
rxn:1:65465:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)nc(N)n4)C3)nn1)CC2,DBLUZLGTVAFKHT-UHFFFAOYSA-N
rxn:1:65479:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(Cl)c5cn[nH]c5n4)C3)nn1)CC2,OICJNIKWPVHIPL-UHFFFAOYSA-N
rxn:1:44403:24460,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(CN6C(=O)C7(C(C#N)=C(N)N(c8cccnc8)C8=C7C(=O)CC(C)(C)C8)c7ccccc76)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,NZHKLWVKDKYNNQ-BSGMLFKLSA-N
rxn:1:44403:29858,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(Cc6cncc(F)c6)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,XZMBVKOCXHWFON-WEOMTHSNSA-N
rxn:1:49131:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4cc(N)ccc4c3)nn1)CC2,AZKXEASQWMQBMR-UHFFFAOYSA-N
rxn:1:51733:30851,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,QBGDFJAWNAPXFH-UHFFFAOYSA-N
rxn:1:51950:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CC(n5cc(C)c(N6CCCCC6)nc5=O)OC4CO)nn2)CC3)cn1,XFWRXXCFVRFSEV-UHFFFAOYSA-N
rxn:1:58595:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCCc4ccc(-c5nc(N)sc5C)cc4)nn3)CC2)CC1,NKUBQQLYDIWENS-UHFFFAOYSA-N
rxn:1:58999:29878,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccc(C(F)(F)F)nc5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,PUTGEJUUTKKMAG-IGYLOLJDSA-N
rxn:1:59585:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC(=C(F)B3OC(C)(C)C(C)(C)O3)c3ccc(O)c(C(N)=O)c3)nn1)CC2,CXKULVUFMHYOQM-UHFFFAOYSA-N
rxn:1:60395:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6ccc(C(=O)O)cc6o5)c4)nn3)CC2)N1,MVZKEHJNQQHIAM-UHFFFAOYSA-N
rxn:1:60397:30809,Cc1cccc(C(=O)N2CCOCCOc3ccccc3C(=O)N(C)C(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7cc(C(=O)O)ccc7o6)c5)nn4)CC3)CC2)c1,QATUOOOIABTENY-UHFFFAOYSA-N
rxn:1:60457:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)c3)nn1)CC2,YGCKOWMAVRRIPD-UHFFFAOYSA-N
rxn:1:60629:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@@H](N6)C(O)[C@H]5O)[C@H](O)C4O)nn3)C2)C1=O,QXVSSSXCTYEDJM-DGEJVKPYSA-N
rxn:1:61017:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCN4CCN(CC5CCCO5)CC4)nn2)CC3)cn1,DMFNRHVPKWZMNR-UHFFFAOYSA-N
rxn:1:61031:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCN4CCN(C5CCSCC5)CC4)nn2)CC3)cn1,ILKSHHQIZSSFSJ-UHFFFAOYSA-N
rxn:1:61067:23848,CC12Cc3cnc(-n4cc(C5(OC6OC(C(=O)O)C(O)C(O)C6O)CCC6C7CCc8cc(O)ccc8C7CCC65C)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,PHYMWTJSUIBQMU-UHFFFAOYSA-N
rxn:1:61067:30015,CCn1cc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)c3ccccc3OCCC2)cn1,KRXZZRIUKSVRKL-KNEUGHQFSA-N
rxn:1:61067:30028,CC12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5cncc(F)c5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,REMWINZFYBXVBK-YLCWCENRSA-N
rxn:1:61067:30066,Cc1ncsc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4ncc5c(n4)CC4CCC6C(CCC7(C)C6CCC7(C)O)C4(C)C5)nn3)C2)C(=O)NCC1,XSANVINHMAWCIW-DVWRVAPJSA-N
rxn:1:61436:29905,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(Cc6ccnc7ccccc67)CCCn6cc(cn6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,QNEYUAHFCTXYPW-LLOXYGKWSA-N
rxn:1:61565:30011,CCc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2ccccc2OCCC1,AJSYXQMSQKZGKV-UBBFEBBVSA-N
rxn:1:61565:30692,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccccn8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WDWPKFRLVZGUIX-XLEUSPLQSA-N
rxn:1:61979:30690,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccn2)CCC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)N5CCCC(CN6CCCC6)C5)cc4)nn3)CC2)N1,AHIBMCGXKKHKET-UHFFFAOYSA-N
rxn:1:62115:30491,Cc1nccc(CN2CCCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)n1,OGMUHVGHWAKTSH-UHFFFAOYSA-N
rxn:1:62116:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,NJPNXQILIIZWLL-UHFFFAOYSA-N
rxn:1:62130:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,BEFOHGIFHFVRIK-UHFFFAOYSA-N
rxn:1:63885:30620,Cc1nccn1CCN1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,PHVXKWJKFFGUCA-UHFFFAOYSA-N
rxn:1:64294:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)ncc(Br)c4N)C3)nn1)CC2,RGFHEJBTYFXYTQ-UHFFFAOYSA-N
rxn:1:64469:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(B(O)O)ccc4Cl)C3)nn1)CC2,XSVUXAVJZOFIKU-UHFFFAOYSA-N
rxn:1:64530:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(I)ccc5C(=O)O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,NSBUFFHRHHCVRZ-UHFFFAOYSA-N
rxn:1:64604:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc([N+](=O)[O-])c(Cl)c4)C3)nn1)CC2,TWXWDNQVEFBGNJ-UHFFFAOYSA-N
rxn:1:65309:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(Cn5cncn5)c4)C3)nn1)CC2,MGVDGGWYRDXDHA-UHFFFAOYSA-N
rxn:1:65468:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N5CCCCC5)nc(N)n4)C3)nn1)CC2,UYBFFPJWQPCGGD-UHFFFAOYSA-N
rxn:1:39926:30829,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnco6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,CUCPLUUGZUXRSH-UHFFFAOYSA-N
rxn:1:44510:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC#Cc4nc(C)c(C(=O)O)s4)nn2)CC3)cn1,MESZTGSABIGTRH-UHFFFAOYSA-N
rxn:1:48128:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc5oc(C(=O)O)cc(=O)c5c4)nn3)CC2)CC1,SYXPEEPBEMTWHB-UHFFFAOYSA-N
rxn:1:48563:30907,CN1Cc2sc3c(c(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cncc(F)c7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)nc4nnnn43)c2CC1(C)C,DJZMIGPKTFFWHB-UHFFFAOYSA-N
rxn:1:48641:30850,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC(C6CCN(C(=O)c7cncnc7C)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,NNLHIQVPLHCLDY-ARBHMSIVSA-N
rxn:1:48982:30922,Cc1ccc(S(=O)(=O)O[C@@H]2CCC3C4CC[C@H]5C[C@@H](n6cc(C(=O)N7CCC8(CCCN(C(=O)c9ncoc9C)CCCOc9ccccc9-c9cncc(c9)C(=O)N(C)C8)CC7)nn6)CC[C@]5(C)C4CC[C@@]32C)cc1,HDFJUZKFLNMZTQ-VWMOCBDKSA-N
rxn:1:51733:30601,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,WTKDRNGOGKZVIT-UHFFFAOYSA-N
rxn:1:51733:30922,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,DJIKYAHHEPLVKY-UHFFFAOYSA-N
rxn:1:51950:30614,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6scnc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,ZHAVFJQROUNPMW-UHFFFAOYSA-N
rxn:1:51950:30922,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,MAKCPKRZPSDCHP-UHFFFAOYSA-N
rxn:1:58999:30030,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(Cc5ccc(Cl)cn5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,TYNMYLBHUREIPE-RFQQOLKKSA-N
rxn:1:59585:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC(=C(F)B4OC(C)(C)C(C)(C)O4)c4ccc(O)c(C(N)=O)c4)nn2)CC3)cn1,QBBXMHYBNDDEMQ-UHFFFAOYSA-N
rxn:1:59595:30438,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)c5cnco5)CCOc5ccc(C7CC7)cc56)nn4)s3)C2)OC1(C)C,BCHWJZUYWUPTFA-ZBWWXOROSA-N
rxn:1:60224:30752,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccccc6)C6=C5C(=O)CC(C)(C)C6)c5ccccc53)nn2)CC4)cn1,HSTSAOGCKRXSEL-UHFFFAOYSA-N
rxn:1:60399:30690,CC(=O)c1cccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)oc12,NMLUDFUDWYCGNR-UHFFFAOYSA-N
rxn:1:60471:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(C(=O)c6ccccc6)ccc5[nH]4)nn3)CC2)CC1,DRCARXXQVLWUNF-UHFFFAOYSA-N
rxn:1:60502:30850,Cc1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,BLMTVJQBNZIUAG-UHFFFAOYSA-N
rxn:1:61251:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3C[C@H](n4cc(C)c(N5CCOCC5)nc4=O)O[C@@H]3CO)nn1)CC2,VBJNVNGZYBRDBU-YTNVLELGSA-N
rxn:1:61436:30165,Cc1cn([C@H]2CC(n3cc(C(=O)N4C[C@H]5C[C@@H](C4)c4cc(C6CC6)ccc4OCCN(C(=O)c4cncnc4C)CCCN(C)C5=O)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,ROVILQRVSRJYPM-BBGYUZLZSA-N
rxn:1:61478:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)s3)nn1)CC2,HSUMMTZCMSEJIX-UHFFFAOYSA-N
rxn:1:61565:30638,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccc(F)cc8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,SDMMUIRNMSWBRD-IWTCTLAZSA-N
rxn:1:61923:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(O)C(O)C(CO)OC3n3cnc4c(=O)[nH]c(N)nc43)nn1)CC2,QGDXMZGJQDKWMI-UHFFFAOYSA-N
rxn:1:62864:30669,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCC1,NODPXNFEQRNVBM-UHFFFAOYSA-N
rxn:1:62864:30908,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCC1,JVDNFDCCSXUKRO-UHFFFAOYSA-N
rxn:1:62908:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccnn5CC(C)C)C4)nn2)CC3)cn1,UHTTUMBNGPIYKH-UHFFFAOYSA-N
rxn:1:63064:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(C(=O)N(C)C)c(Cl)c5)C4)nn2)CC3)cn1,LUEFWSZZXVVNOY-UHFFFAOYSA-N
rxn:1:63085:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(CC5CCN(C)CC5)C4)nn2)CC3)cn1,SGTXAKZVTJXPFO-UHFFFAOYSA-N
rxn:1:63608:30613,Cc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1OC(F)F,UQIQTWWRDXOUCT-UHFFFAOYSA-N
rxn:1:63822:30922,Cc1ccnc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)c1Br,UZJVBWGSBOGDNV-UHFFFAOYSA-N
rxn:1:64056:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4ccnc5[nH]ccc45)C3)nn1)CC2,JWHQEETWXKGOJI-UHFFFAOYSA-N
rxn:1:64065:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4c[nH]c5ncccc45)C3)nn1)CC2,JIPYBAYSCTYFMD-UHFFFAOYSA-N
rxn:1:64319:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(Cl)cc4C(=O)O)C3)nn1)CC2,YGMLARRSWMOWEG-UHFFFAOYSA-N
rxn:1:64723:30300,O=C1NCC2(CCN(Cc3ccc4nccnc4c3)CCCOc3ccccc31)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(I)c(Cl)n4)C3)nn1)CC2,RABNKEUCNLHTBA-UHFFFAOYSA-N
rxn:1:64838:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(OC(F)(F)F)cc5Br)C4)nn3)CC2)CC1,OJMJIYWFTFWKFT-UHFFFAOYSA-N
rxn:1:64968:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cnc(Br)c(Cl)n4)C3)nn1)CC2,CROCATQPHPJDHD-UHFFFAOYSA-N
rxn:1:65236:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(CN5CCOCC5)cc4)C3)nn1)CC2,HQELRTDJCHIZRG-UHFFFAOYSA-N
rxn:1:65236:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(CN5CCOCC5)cc4)C3)nn1)CC2,MLKBPYGGCMYFJS-UHFFFAOYSA-N
rxn:1:49446:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,NYMAMYDKSIZHIH-UHFFFAOYSA-N
rxn:1:49466:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(S(=O)(=O)C5CCCCC5)CC4)nn2)CC3)cn1,CKPLISVRAOBTCJ-UHFFFAOYSA-N
rxn:1:51733:30255,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6c(C)cc(F)cc6C)CCCCn6cc(cn6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,ITMGHWMFFHSTIQ-UHFFFAOYSA-N
rxn:1:51950:30191,CCn1nccc1CN1CCN(C(=O)c2cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn2)CCNC(=O)c2cccc(c2)OCCCn2nc(C)c(c2C)C1,DSEMRZDVSMZBDQ-UHFFFAOYSA-N
rxn:1:51950:30613,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,LNLFIQYXFWDIDF-UHFFFAOYSA-N
rxn:1:51950:30620,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,TXEYSGWHMLVHRJ-UHFFFAOYSA-N
rxn:1:51950:30647,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccnn6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,LTQSCSSHBLAKOB-UHFFFAOYSA-N
rxn:1:52619:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3c[nH]c4nccc(Cl)c34)nn1)CC2,UWLSEWWDUKHXRE-UHFFFAOYSA-N
rxn:1:52971:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3=C(Cl)C(C(C#N)C(N)=O)OC3=O)nn1)CC2,KDOIXAVSPZNWKX-UHFFFAOYSA-N
rxn:1:60224:30427,Cc1ccc(C(=O)N2CCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn2)CC3)cn1,WNMPDCVVODZCHI-UHFFFAOYSA-N
rxn:1:60224:30796,Cc1cc2n(n1)CCCN(C(=O)C1CCC1)CCCC1(CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC1)CN(C)C2=O,TYJXNVODRRRZEL-UHFFFAOYSA-N
rxn:1:60559:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nccn4C)c3)nn1)CC2,XMLRXRGBQTWLHY-UHFFFAOYSA-N
rxn:1:61067:30009,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@@H]6C[C@H]5C(=O)NCCCN(C(=O)c5cncc(F)c5)CCCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,QMMXLPSDFJIEIJ-YFABFXJGSA-N
rxn:1:61067:30171,CC12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCCN(C(=O)c5cncc(F)c5)CCCNC6=O)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,HQAWEJXOULZCAY-BXMRGRNCSA-N
rxn:1:61067:30817,Cc1cccc(C(=O)N2CCCOc3ccc(F)cc3C(=O)NCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)CC3)CC2)n1,JCLUVDSKUYSGTI-UHFFFAOYSA-N
rxn:1:61251:30856,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)CC6CC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,UJDGIANNKAVQCA-FMFPZDCUSA-N
rxn:1:61351:30785,CCNc1nc(=O)n([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(C)nc6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)cc1C,YPXAFBYHSWIMEI-CGUXBRGKSA-N
rxn:1:61436:30620,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,TXEYSGWHMLVHRJ-BZQJCRMFSA-N
rxn:1:61436:30636,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(F)cc6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,CTJAYTCOXRENFG-BZQJCRMFSA-N
rxn:1:61565:30423,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccc(F)c(F)c8)CCCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,WEGKRHXEFPAFRZ-VVCKMPQCSA-N
rxn:1:61805:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn1)CC2,SDUULZMMTWBQPZ-UHFFFAOYSA-N
rxn:1:61924:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)nn1)CC2,DRGPSBBDDPFSET-UHFFFAOYSA-N
rxn:1:62102:30708,CCCC(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,QIDCEOMPDCJQKQ-UHFFFAOYSA-N
rxn:1:62111:30133,CN1CCCN(C(=O)c2cnccn2)CCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)C1=O,YTJQLTCDAUPVJI-HCBAGHIHSA-N
rxn:1:62257:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,WSJVSNZHHZGWQM-YTPGTJBYSA-N
rxn:1:63136:30613,COC(=O)c1ccc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1,FVVMOHVLHAMVNR-UHFFFAOYSA-N
rxn:1:63666:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5nc(C)c(C(=O)N(C)C)s5)C4)nn2)CC3)cn1,USLDYXFWSBIVIQ-UHFFFAOYSA-N
rxn:1:63855:30907,Cc1nc(-c2cccc(N3CC(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7cncc(F)c7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)CC3=O)c2)n[nH]1,KDZWZDRUPXFGFH-UHFFFAOYSA-N
rxn:1:64530:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(I)ccc4C(=O)O)C3)nn1)CC2,XWPLVLPAFFEYCL-UHFFFAOYSA-N
rxn:1:64690:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cc4)C3)nn1)CC2,MAXHOJHFDHDLAR-UHFFFAOYSA-N
rxn:1:64925:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C#N)cnn5-c5ccc(Br)cc5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,LYSRSNCGLGMMAV-UHFFFAOYSA-N
rxn:1:65070:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4[nH]nc5ncccc45)C3)nn1)CC2,BUVPQRIJDNNDFI-UHFFFAOYSA-N
rxn:1:65467:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)cc(N5CCCCC5)n4)C3)nn1)CC2,AJPRLLRZROHWTN-UHFFFAOYSA-N
rxn:1:65527:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nccc(-c6cccs6)n5)C4)nn3)CC2)CC1,IBWQIMDBEDOAAS-UHFFFAOYSA-N
rxn:1:43879:30130,Cc1ncsc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)C2)c2cc(C3CC3)ccc2OCC1,XSWUDTOYLXXCAR-VGBIMWKJSA-N
rxn:1:48541:30620,Cc1cncc(C(O)C(O)CCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)n1,ZYBUWQBXWXVOJN-UHFFFAOYSA-N
rxn:1:48641:30628,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,QRMUJIGEPIEAFM-OQZCHSCVSA-N
rxn:1:49448:30836,CN1CC2(CCCN(C(=O)c3ccon3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,INQHBWKUXKKXKE-UHFFFAOYSA-N
rxn:1:49449:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,SCGXDLYRGYZOGG-UHFFFAOYSA-N
rxn:1:49453:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCNc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)nn2)CC3)cn1,GVNSAFLZPASLJM-UHFFFAOYSA-N
rxn:1:51502:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc6ncc(C(=O)O)c(O)c6c5)C4(F)F)nn3)CC2)CC1,VJUYFHIGLQISTP-UHFFFAOYSA-N
rxn:1:51820:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(Cc4nc(C(=O)O)cs4)CCO3)nn1)CC2,YTEMFDUXUQAMRD-UHFFFAOYSA-N
rxn:1:51950:29906,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(Cc6ccc7nccnc7c6)CCCn6cc(cn6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,BZIVOHPCZFKCHG-UHFFFAOYSA-N
rxn:1:51950:30165,Cc1cn(C2CC(n3cc(C(=O)N4C[C@H]5C[C@@H](C4)c4cc(C6CC6)ccc4OCCN(C(=O)c4cncnc4C)CCCN(C)C5=O)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,ROVILQRVSRJYPM-JTXHZKMZSA-N
rxn:1:51950:30635,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccc(F)cc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,RLNJSNHGQQYBST-UHFFFAOYSA-N
rxn:1:51950:30669,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,PQVUDEUJRCGDKH-UHFFFAOYSA-N
rxn:1:51950:30671,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,AWYGRYLAJJPHAH-UHFFFAOYSA-N
rxn:1:51950:30697,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccccc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,WMNHLGHNEWNHTE-UHFFFAOYSA-N
rxn:1:51950:30852,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncnc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,DTFZEOUGADUZNV-UHFFFAOYSA-N
rxn:1:51950:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C5CC(n6cc(C)c(N7CCCCC7)nc6=O)OC5CO)nn4)CC3)CC2)co1,RADIRQYYBZVVQZ-UHFFFAOYSA-N
rxn:1:51950:30908,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,LVMYHVGQSHJKFB-UHFFFAOYSA-N
rxn:1:60009:29906,CN1CC2(CCCN(Cc3ccc4nccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,JASQPWKYABUTCC-FSCMMXSSSA-N
rxn:1:60413:30244,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7ccccc7OC)CCCCn7cc(cn7)C(=O)N(C)C6)CC5)nn4)c3)nc2c1,IIKRLPICDGUGDC-UHFFFAOYSA-N
rxn:1:60457:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)c3)nn1)CC2,GMPJYLUSDOZYDF-UHFFFAOYSA-N
rxn:1:60457:30907,NS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cncc(F)c7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)c3)nc2c1,PXILLPDCYVXORI-UHFFFAOYSA-N
rxn:1:60518:30161,Cc1nn2c(C)c1CN(C(=O)c1cccnn1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(Br)c(Br)cc4[nH]3)nn1)CCNC(=O)c1cccc(c1)OCCC2,LXIBOIPLOOFWGE-UHFFFAOYSA-N
rxn:1:60632:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OC(C)(C)O[C@@H]43)nn1)CC2,CYESXHCQOXCFJQ-VOKJDFOJSA-N
rxn:1:61067:30055,CC12Cc3cnc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cc[nH]n7)CCCc7ccccc7C(=O)NC6)CC5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,JWBRTFNWZISWEK-UHFFFAOYSA-N
rxn:1:61251:30851,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,QBGDFJAWNAPXFH-FPRBQUIYSA-N
rxn:1:61436:30169,Cc1cn([C@H]2CC(n3cc(C(=O)N4CC[C@@H]5C[C@H]4C(=O)NCCCN(C(=O)c4cncc(F)c4)CCCOc4ccc(C6CC6)cc45)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,NALMFFMJXFPXCN-FTZJBICUSA-N
rxn:1:61436:30629,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,ZNFRUBKUXOXQOT-FPRBQUIYSA-N
rxn:1:61565:30396,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6cc(C8CC8)ccc6OCCCN(C(=O)c6ccnn6C)CCCN(C)C7=O)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,SHUSMJKNYORPMA-IGJNMFQISA-N
rxn:1:62112:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VZURXVINEQERGZ-UHFFFAOYSA-N
rxn:1:62115:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,KEJLYJJIZKBEDR-UHFFFAOYSA-N
rxn:1:62864:30851,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCC1,RJNHSLMXHYWUIA-UHFFFAOYSA-N
rxn:1:63100:30846,CNS(=O)(=O)c1ccccc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)C5CCOCC5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,CSBYXEWVHQUXLB-UHFFFAOYSA-N
rxn:1:63561:30613,Cc1cc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)c1,KQYBWRBDSBBBFX-UHFFFAOYSA-N
rxn:1:65437:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5nc(-c6cccnc6)cs5)C4)nn3)CC2)CC1,UJRJOLHRMAHYSQ-UHFFFAOYSA-N
rxn:1:65467:30803,CN1CC2(CCCN(C(=O)C3CCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)cc(N5CCCCC5)n4)C3)nn1)CC2,OLRCHEWLBXRBPQ-UHFFFAOYSA-N
rxn:1:65468:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N5CCCCC5)nc(N)n4)C3)nn1)CC2,MPKNLBUUFIQSAV-UHFFFAOYSA-N
rxn:1:48313:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(-n4ccnc4)cc3)nn1)CC2,FXRLMSXAAPBDSS-UHFFFAOYSA-N
rxn:1:49413:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)O3)nn1)CC2,DKCLVWXBCMOKPB-UHFFFAOYSA-N
rxn:1:49480:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn1)CC2,IKYMPJDOAUWMHK-UHFFFAOYSA-N
rxn:1:50710:30620,Cc1c(C(=O)O)cccc1C1C(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)C1(F)F,LDZMUWTVAHXYNM-UHFFFAOYSA-N
rxn:1:51456:30620,COC(=O)c1cc(C2C(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C2(F)F)cc2[nH]ncc12,XOEPPQMSBGNYNQ-UHFFFAOYSA-N
rxn:1:51529:30620,CC#CCn1c(C2C(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C2(F)F)nc2c1c(=O)[nH]c(=O)n2C,OAYMBOMCGVGYTF-UHFFFAOYSA-N
rxn:1:51950:30836,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccon6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,OEGGTOZBNNJZNP-UHFFFAOYSA-N
rxn:1:52456:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(Cc4cc(C(=O)O)no4)C3)nn1)CC2,LLJGFVNGZLKFAG-UHFFFAOYSA-N
rxn:1:52962:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cc(F)c(C(=O)O)cc3F)nn1)CC2,VVSJYJHJFVHIRA-UHFFFAOYSA-N
rxn:1:52965:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc(F)c(C(=O)O)c3F)nn1)CC2,LMJKBHDOGXTCQL-UHFFFAOYSA-N
rxn:1:52967:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cc(F)c(F)cc3C(=O)O)nn1)CC2,LEMPZZRNPWNMTI-UHFFFAOYSA-N
rxn:1:53893:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC4C(c5cnc(C#N)nc5)C4(F)F)nn2)CC3)cn1,XEQRLMZLMPGZJC-UHFFFAOYSA-N
rxn:1:60009:30585,COc1ccc(C(=O)N2CCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)C3)cc1,WKBNDWDZHIEIFC-WQHOGJRFSA-N
rxn:1:60391:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7c(cc(S(=O)(=O)O)c8ccccc87)o6)c5)nn4)CC3)CC2)c1,RBUYYJXEENHQDP-UHFFFAOYSA-N
rxn:1:60414:30922,COC(=O)c1ccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)oc2c1,QOHMWGUZGUWPMD-UHFFFAOYSA-N
rxn:1:60536:30907,Cn1c(C(F)(F)c2ccccc2-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)nc2cc([N+](=O)[O-])ccc21,JCNJYBNBUGLLGF-UHFFFAOYSA-N
rxn:1:60601:30628,CCOC(=O)C1Cc2ccc(cc2)CCc2ccc(cc2)CC1C(=O)n1cc(C(=O)N2CCC(C3CCN(C(=O)c4cnccn4)CCCOc4ccccc4-c4noc(n4)CCC(=O)N3)CC2)nn1,CXIGSRAIPLBVBK-UHFFFAOYSA-N
rxn:1:62112:30236,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCCCC8)CCCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,KMKCSXATDVMKBY-UHFFFAOYSA-N
rxn:1:62112:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,IRTHHIVYDUWWFN-UHFFFAOYSA-N
rxn:1:62114:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn2)CC3)cn1,CKLFGDWZTATHQB-UHFFFAOYSA-N
rxn:1:62115:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,VOZBGBNPQZAOLJ-UHFFFAOYSA-N
rxn:1:62290:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4(CO)OC(n5cnc6c(N)ncnc65)C(O)C4O)nn3)CC2)CC1,ZESYPRPQMAOUMH-UHFFFAOYSA-N
rxn:1:63135:30851,COC(=O)c1ccc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)c(I)c1,CDFVDGKHEAPRHB-UHFFFAOYSA-N
rxn:1:64215:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(Cc5ccc6nccnc6c5)C4)nn3)CC2)N1,WTZBJSOUPMVMMV-UHFFFAOYSA-N
rxn:1:64508:30189,CCn1ccnc1CN1CCN(C(=O)c2cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn2)CCNC(=O)c2cccc(c2)OCCCn2nc(C)c(c2C)C1,IDAZFVYUTDPMNH-UHFFFAOYSA-N
rxn:1:64859:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6nccnc6c5Br)C4)nn3)CC2)N1,XIYZJCPPJUOCBX-UHFFFAOYSA-N
rxn:1:64864:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccccc5-n5cccn5)C4)nn3)CC2)N1,GEQLSCSJGWHOCT-UHFFFAOYSA-N
rxn:1:64968:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cnc(Br)c(Cl)n4)C3)nn1)CC2,OOOBDHGMDVNZDI-UHFFFAOYSA-N
rxn:1:65234:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(CN6CCCC6)cc5)C4)nn2)CC3)cn1,DQUZYNYQTUESPW-UHFFFAOYSA-N
rxn:1:50983:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(CC(=O)O)c(F)c4)C3(F)F)nn1)CC2,IAAUDTZWUDHIEU-UHFFFAOYSA-N
rxn:1:51216:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc(-c6c[nH]cn6)cc5)C4(F)F)nn3)CC2)CC1,GNHFOLCJGBZTGK-UHFFFAOYSA-N
rxn:1:51223:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3C(c4ccc(-n5ccnc5)cc4)C3(F)F)nn1)CC2,POZPUNKHSDACHH-UHFFFAOYSA-N
rxn:1:51733:30657,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,VRAZMZGDEKZPAL-UHFFFAOYSA-N
rxn:1:52964:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cc(C(=O)O)c(F)cc3F)nn1)CC2,MZTHEZRMBGQEMW-UHFFFAOYSA-N
rxn:1:53032:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3CC3c3ccc(S(N)(=O)=O)cc3F)nn1)CC2,QKCVPNKDLAFNEA-UHFFFAOYSA-N
rxn:1:53158:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3CC3c3cnn(-c4ccc(Cl)nn4)c3)nn1)CC2,RDQVMAOPAXJQGI-UHFFFAOYSA-N
rxn:1:53515:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cnn(C)c4N)C3(F)F)nn1)CC2,XMIGNDFHXBUYSL-UHFFFAOYSA-N
rxn:1:53519:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cn(C)nc4N)C3(F)F)nn1)CC2,YXKFYBHHEOPSRY-UHFFFAOYSA-N
rxn:1:59685:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cnc5c(N(C)C)ncnc54)O[C@@H]3CO)nn1)CC2,PZUHURCOZKUJCF-YTUJISJWSA-N
rxn:1:60009:30394,Cn1nccc1C(=O)N1CCCOc2ccccc2C(=O)NCC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,MPYSQZWGJCHLJW-KWDKOVGYSA-N
rxn:1:60224:30178,Cc1nn2c(C)c1CN(Cc1nc3ccccc3n1C)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,ORBJAOSDHGMLGP-UHFFFAOYSA-N
rxn:1:60224:30452,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)CC2)CN(C)C(=O)c2ccccc2OCC2(CC2)C1,OBIYGTAHPKNASC-UHFFFAOYSA-N
rxn:1:60397:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4cccc(C(F)(F)c5nc6cc(C(=O)O)ccc6o5)c4)nn2)CC3)cn1,GPCBQKCQGFMNRE-UHFFFAOYSA-N
rxn:1:60410:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(Cl)cc(Br)c4o3)nn1)CC2,DETDVUPOSVCGBJ-UHFFFAOYSA-N
rxn:1:60446:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(C)(=O)=O)ccc5o4)c3)nn1)CC2,WXLCKHLAHRKIHB-UHFFFAOYSA-N
rxn:1:61436:30167,Cc1nc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H](CCN3C(=O)c3cn(C4C[C@H](n5cc(C)c(N6CCCCC6)nc5=O)O[C@@H]4CO)nn3)c3cc(C4CC4)ccc3OCCC2)co1,ZMJZFFHRBAAOFS-KGRXUIFASA-N
rxn:1:62104:30749,CC(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,FDWODJABSGOZEL-UHFFFAOYSA-N
rxn:1:62108:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,PXSWHWWBTIYYDB-UHFFFAOYSA-N
rxn:1:62111:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,ZJQJISVANOSLIG-UHFFFAOYSA-N
rxn:1:62112:30214,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC7(CCCN(C(=O)CC8CCOCC8)CCCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,FOGBJNBEZDSBCC-UHFFFAOYSA-N
rxn:1:62112:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FSBHUMZSGMXWFY-UHFFFAOYSA-N
rxn:1:62112:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,DSYMEBLAUXVOFG-UHFFFAOYSA-N
rxn:1:62488:30635,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccc(F)cc2)CCC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)NCC5OC(O)C(O)C(O)C5O)c(O)c4)nn3)CC2)N1,IQUZXCZXTLBDDW-UHFFFAOYSA-N
rxn:1:62954:30601,CC(=O)Nc1ccc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)cc1Cl,VZMYWRVHIWEBHR-UHFFFAOYSA-N
rxn:1:64734:30802,CN1CC2(CCCN(C(=O)C3CCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,CCHCUWKQWDIZOW-UHFFFAOYSA-N
rxn:1:50979:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4cc(CC(=O)O)ccc4F)C3(F)F)nn1)CC2,YBPYXDDAVLDLRX-UHFFFAOYSA-N
rxn:1:51348:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4cc(C(=O)O)cc(C(=O)O)c4)C3(F)F)nn1)CC2,FHTUTFPHKQSGHH-UHFFFAOYSA-N
rxn:1:51502:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3C(c4ccc5ncc(C(=O)O)c(O)c5c4)C3(F)F)nn1)CC2,IYDICMLFTKZZHK-UHFFFAOYSA-N
rxn:1:51950:30923,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,CUMAYPHMXFYMJC-UHFFFAOYSA-N
rxn:1:52236:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(Cc4cc(C(=O)O)no4)CC3)nn1)CC2,SKWXJZHFTNGVNW-UHFFFAOYSA-N
rxn:1:52717:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc(C(=O)O)cc3F)nn1)CC2,KOOXDTGTZIIZQB-UHFFFAOYSA-N
rxn:1:52961:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cc(Cl)c(C(=O)O)cc3F)nn1)CC2,AWXUCQJGOIRHAW-UHFFFAOYSA-N
rxn:1:53159:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3nc4c([nH]3)c(=O)[nH]c(=O)n4C)nn1)CC2,GJAPBMJOMNTTEB-UHFFFAOYSA-N
rxn:1:53228:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3c(F)c(F)c(C(=O)O)c(F)c3F)nn1)CC2,JLVABGQOARDMFL-UHFFFAOYSA-N
rxn:1:53895:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cnc(N)c(N)c4)C3(F)F)nn1)CC2,VLHXJNJXYGSFRA-UHFFFAOYSA-N
rxn:1:54272:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc5[nH]cnc5c4)C3(F)F)nn1)CC2,ICNQITUZABLZDV-UHFFFAOYSA-N
rxn:1:54481:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cnc(C(=O)O)c(N)c4)C3(F)F)nn1)CC2,OFJSXQHFMCQJJO-UHFFFAOYSA-N
rxn:1:54777:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(-n5cncn5)cc4)C3(F)F)nn1)CC2,CBZAETDNGFRIKG-UHFFFAOYSA-N
rxn:1:54804:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc5[nH]nc(C(=O)O)c5c4)C3(F)F)nn1)CC2,FMUDOQKWRZCBHA-UHFFFAOYSA-N
rxn:1:60390:30692,CN1CC2(CCCN(C(=O)c3ccccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,NHYXXUCXLUYKMC-UHFFFAOYSA-N
rxn:1:60391:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5cccc(C(F)(F)c6nc7c(cc(S(=O)(=O)O)c8ccccc87)o6)c5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,UXBPSBVCEWATGB-UHFFFAOYSA-N
rxn:1:60395:30791,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccc2F)CCC(C2CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6ccc(C(=O)O)cc6o5)c4)nn3)CC2)N1,IIRWNWOFBQWKFO-UHFFFAOYSA-N
rxn:1:60457:30130,Cc1ncsc1C(=O)N1CCCN(C)C(=O)[C@@H]2C[C@@H](CN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(S(N)(=O)=O)ccc6o5)c4)nn3)C2)c2cc(C3CC3)ccc2OCC1,DFIAHZNZMJCSAG-URLMMPGGSA-N
rxn:1:60457:30765,COCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)c3)nn1)CC2,LHXWNTJMXYFJDM-UHFFFAOYSA-N
rxn:1:61024:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCN4CCC(N5CCOCC5)CC4)nn2)CC3)cn1,XTGCYUQZXBCIOO-UHFFFAOYSA-N
rxn:1:61067:30358,COc1ccc(CN2CCCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)CC3)CN(C)C(=O)c3ccnn3CC2)cn1,HOIZRLAHZSIEQY-UHFFFAOYSA-N
rxn:1:61436:30922,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,MAKCPKRZPSDCHP-CGUXBRGKSA-N
rxn:1:62102:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XYMFZHDVXPSYQT-UHFFFAOYSA-N
rxn:1:62105:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,HPRVWPGXHUAVEA-UHFFFAOYSA-N
rxn:1:62112:23388,CC1(CO)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CC(c4cn(C5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)C(O)C(C)(C)C2CCC13C,QMTOOFZFKXFYAW-UHFFFAOYSA-N
rxn:1:62112:30220,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,XCMFUMCWZGTBQB-UHFFFAOYSA-N
rxn:1:62117:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,LVIOROIMNGDRBZ-UHFFFAOYSA-N
rxn:1:62123:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BBYRGCYSFLWLTM-UHFFFAOYSA-N
rxn:1:62419:30907,CC(C)(C)OC(=O)N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)C2(CCS(=O)(=O)CC2)C1,JSHFCOBRAGBWOK-UHFFFAOYSA-N
rxn:1:63116:30846,COC(=O)c1cc(Br)c(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)C5CCOCC5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,FGXLWYSFKCDJNC-UHFFFAOYSA-N
rxn:1:63321:30850,COc1nc(Cl)cnc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,LXENRPMWQYUFIP-UHFFFAOYSA-N
rxn:1:64669:30690,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-c6nnn[nH]6)cc5)C4)nn3)CC2)N1,QRZHCJNDPTWCPE-UHFFFAOYSA-N
rxn:1:64733:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCCCC5)cn4)C3)nn1)CC2,CIJPBFODSSGDBC-UHFFFAOYSA-N
rxn:1:64734:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,XXEJMJVDKNOOFM-UHFFFAOYSA-N
rxn:1:64971:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(Cl)c5[nH]cnc5n4)C3)nn1)CC2,JMLACPHXBRFLAK-UHFFFAOYSA-N
rxn:1:65236:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(CN7CCOCC7)cc6)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,OHVBNQLTHNKDSN-UHFFFAOYSA-N
rxn:1:65257:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-n6ccnc6)c5)C4)nn3)CC2)N1,GCMAYFVQNBPPNN-UHFFFAOYSA-N
rxn:1:65468:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CC(=O)N(c5cc(N6CCCCC6)nc(N)n5)C4)nn3)C2)C1=O,HLIVIYXFKBVGST-YZNHVJJBSA-N
rxn:1:44403:30780,Cc1ccc(C(=O)N2CCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn2)CC3)cn1,DBGBJQZQTYKUKR-BUWXZZBTSA-N
rxn:1:44993:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC#Cc4cc(F)c([N+](=O)[O-])c(F)c4)nn2)CC3)cn1,LWXYPDPNMDMSMA-UHFFFAOYSA-N
rxn:1:48308:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC(O)C(O)c4ccc(-n5cncn5)cc4)nn3)CC2)CC1,VVGSUEMVZXPRTC-UHFFFAOYSA-N
rxn:1:51292:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4nc5c([nH]4)c(=O)[nH]c(=O)n5C)C3(F)F)nn1)CC2,HHCVVEQZVRAFEL-UHFFFAOYSA-N
rxn:1:51455:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5ccc(N6CCN(C)CC6)cc5)C4(F)F)nn3)CC2)CC1,ZLLCOEYAKKKRLX-UHFFFAOYSA-N
rxn:1:51495:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(-c5ccc(C(=O)O)o5)cc4)C3(F)F)nn1)CC2,ZKFDKFXVFKQOMM-UHFFFAOYSA-N
rxn:1:51896:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(Cc4nc(C(=O)O)co4)CC3)nn1)CC2,IFFMCLYTAGPSGL-UHFFFAOYSA-N
rxn:1:51950:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn1)CC2,PSUWVBVIAUCOMQ-UHFFFAOYSA-N
rxn:1:51950:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CC(n5cc(C)c(N6CCCCC6)nc5=O)OC4CO)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,YRYHDHUATKXGJG-UHFFFAOYSA-N
rxn:1:51950:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CC(n5cc(C)c(N6CCCCC6)nc5=O)OC4CO)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,OKNWBLCMBQFVKP-UHFFFAOYSA-N
rxn:1:52379:30922,CSc1ncc(C2CC2CCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ncoc5C)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)c(Cl)n1,JOYGKROIXIVXRW-UHFFFAOYSA-N
rxn:1:52496:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc(S(N)(=O)=O)s3)nn1)CC2,SDAAQLFMKFFVIL-UHFFFAOYSA-N
rxn:1:52539:30620,Cc1nc([N+](=O)[O-])c(C2CC2CCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)[nH]1,SHDNDAAHPMOKKR-UHFFFAOYSA-N
rxn:1:52795:30922,CSc1nc(Cl)c(C2CC2CCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ncoc5C)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)c(Cl)n1,IEMOKXIOPXXSDL-UHFFFAOYSA-N
rxn:1:52966:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cc(F)c(C(=O)O)c(F)c3)nn1)CC2,YUNFSMRUEASMDP-UHFFFAOYSA-N
rxn:1:54206:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(S(N)(=O)=O)s4)C3(F)F)nn1)CC2,JNOSVKAHZSLPLT-UHFFFAOYSA-N
rxn:1:54408:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(C(=O)O)c(Cl)c4)C3(F)F)nn1)CC2,FBMCTKGABQWTPW-UHFFFAOYSA-N
rxn:1:54411:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(C(=O)O)c(F)c4)C3(F)F)nn1)CC2,TXSLUYNDHGBIBZ-UHFFFAOYSA-N
rxn:1:54612:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4c(O)cc(C(=O)O)cc4O)C3(F)F)nn1)CC2,IGJWMEOVCCWUCU-UHFFFAOYSA-N
rxn:1:58999:30688,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6(CCN(C(=O)c7ccccn7)CCCOc7ccc(F)cc7C(=O)NC6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,KABOUWBUJQNUKO-DUKZTGGTSA-N
rxn:1:60406:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4cccc(C(F)(F)c5nc6cc([N+](=O)[O-])ccc6o5)c4)nn2)CC3)cn1,CKGBPGUKMZKRRF-UHFFFAOYSA-N
rxn:1:60456:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(S(N)(=O)=O)ccc5o4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,SJLUTOHBDRAIJT-UHFFFAOYSA-N
rxn:1:62075:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(CCCO[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7C[C@H]8[C@H]([C@H](C)[C@H]9CC[C@H](C)CN98)[C@@]7(C)CC[C@@H]65)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,OKQPZBTXWANKKX-DDLZUFQMSA-N
rxn:1:62102:30250,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,DLFZAEQNDHEFAY-UHFFFAOYSA-N
rxn:1:62102:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,NSOWHRAKINLZDZ-UHFFFAOYSA-N
rxn:1:62112:30200,CN1CC2(CCCN(C(=O)C3CCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,DRPGUAICWWATFA-UHFFFAOYSA-N
rxn:1:62302:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@@]4(CO)O[C@@H](n5cc(C)c(=O)[nH]c5=O)C[C@@H]4O)nn3)CC2)CC1,MXMHSRTUANAWPF-GJBLMIJYSA-N
rxn:1:62363:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3[C@H](O)[C@@H](n4ccc(=O)[nH]c4=O)O[C@H]3CO)nn1)CC2,YBZCWPSVFAHJDT-UEJHVKLOSA-N
rxn:1:62773:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(C(C(=O)O)c5ccccc5Br)C4)nn3)CC2)CC1,DHLSYTTXRDEBMV-UHFFFAOYSA-N
rxn:1:62864:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CC(n4cc(C)c(N5CCCC5)nc4=O)OC3CO)nn1)CC2,KRPCKTRVFGQUMB-UHFFFAOYSA-N
rxn:1:63061:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(C(=O)N(C)C)cc5)C4)nn2)CC3)cn1,DGPMIGLHDDHIQW-UHFFFAOYSA-N
rxn:1:63935:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnn(C)n4)C3)nn1)CC2,RISWUWDJSYDRRG-UHFFFAOYSA-N
rxn:1:64716:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)nc4)C3)nn1)CC2,RVDHLMHAHIJMCX-UHFFFAOYSA-N
rxn:1:64734:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,VOBVUXRETNEBGJ-UHFFFAOYSA-N
rxn:1:64734:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,JIQAFIIFADRSRT-UHFFFAOYSA-N
rxn:1:64865:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccccc4-n4cnnn4)C3)nn1)CC2,OTIKXIYWOSXLRT-UHFFFAOYSA-N
rxn:1:65467:30857,CN1CC2(CCCN(C(=O)CC3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)cc(N5CCCCC5)n4)C3)nn1)CC2,PZFKHJMLSRYPDC-UHFFFAOYSA-N
rxn:1:39926:30788,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCOC5(CCCN(C(=O)c6ccc(C)nc6)CCCn6nc(C)cc6C(=O)N(C)C5)C4)nn3)c12,YCVKQMOPAQOSFY-UHFFFAOYSA-N
rxn:1:40433:30613,Cc1cc(C=CCn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)cc(N)c1N,ZEFWUSSMGWWIBM-UHFFFAOYSA-N
rxn:1:49281:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC(O)C(O)c3c[nH]c4ncc(Br)cc34)nn1)CC2,FVJFGUYDWJWEFC-UHFFFAOYSA-N
rxn:1:49287:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4c[nH]c5nc(Cl)nc(Cl)c45)nn3)CC2)CC1,SXAMQPDVBZHBBG-UHFFFAOYSA-N
rxn:1:50977:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(Cl)c(CC(=O)O)c4)C3(F)F)nn1)CC2,YCUXHAROWRCNPT-UHFFFAOYSA-N
rxn:1:51444:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4cccc5c(C(=O)O)cccc45)C3(F)F)nn1)CC2,PIFNLNRQEKVXAY-UHFFFAOYSA-N
rxn:1:52155:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc(NN)nc3)nn1)CC2,ZXEMQUUGMDICGJ-UHFFFAOYSA-N
rxn:1:52963:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3c(F)cc(C(=O)O)cc3F)nn1)CC2,YWPZCJUDVKGLSZ-UHFFFAOYSA-N
rxn:1:53050:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cc([N+](=O)[O-])c(N)nc3Cl)nn1)CC2,KGMWCRRGYHBTDH-UHFFFAOYSA-N
rxn:1:53174:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc4[nH]nc(C(=O)O)c4c3)nn1)CC2,WYOZNTSABKPPRH-UHFFFAOYSA-N
rxn:1:54404:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(C(=O)O)ccc4F)C3(F)F)nn1)CC2,XJTHDTDZIDSWLC-UHFFFAOYSA-N
rxn:1:56434:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3ccc(CC(=O)O)cc3F)nn1)CC2,HYXWDZPCBOSJHQ-UHFFFAOYSA-N
rxn:1:56734:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3nc4c([nH]3)c(=O)[nH]c(=O)n4C)nn1)CC2,CJULZEWTRNMJMH-UHFFFAOYSA-N
rxn:1:58999:29932,Cc1ccc(C(=O)N2CCCNC(=O)[C@H]3C[C@H](CCN3C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)c3ccccc3OCC2)cn1,OUSUFRSHOFSJPF-ABARPVRZSA-N
rxn:1:59683:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@H]3[C@H](O)[C@@H](n4cnc5c(N)ncnc54)O[C@H]3CO)nn1)CC2,HGNQBLPGCDJIKP-XMLWSKSPSA-N
rxn:1:60009:30238,CN1CC2(CCCN(C(=O)C3CCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,OCEWKNFTLJIZGZ-AAVUUNPCSA-N
rxn:1:60391:30657,CN1CC2(CCCN(C(=O)C3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CC2,WPUWVHPRCWQLEZ-UHFFFAOYSA-N
rxn:1:60405:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ccccc4C(F)(F)c4nc5cc([N+](=O)[O-])ccc5o4)nn2)CC3)cn1,GCMNOQXNALFOED-UHFFFAOYSA-N
rxn:1:60642:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(S(=O)(=O)c4cn(C)cn4)C3)nn1)CC2,CMFBRVZGROKCMK-UHFFFAOYSA-N
rxn:1:60813:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3(O)CC4CCC(C3)N4C(=O)OC(C)(C)C)nn1)CC2,WWIOEIBJGQJGTI-UHFFFAOYSA-N
rxn:1:61766:30628,CC1(C)Cc2c(sc3nc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)nc(NCCO)c23)CO1,OYPNYTUJTQFXRH-UHFFFAOYSA-N
rxn:1:62102:30200,CN1CC2(CCCN(C(=O)C3CCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,TZCWIBXMONFMFK-UHFFFAOYSA-N
rxn:1:62102:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,SVZOPFGLGZQNDG-UHFFFAOYSA-N
rxn:1:62115:30732,Cc1ccccc1N1C(N)=C(C#N)C2(C(=O)N(Cc3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)c3ccccc32)C2=C1CC(C)(C)CC2=O,BEVLEOYDBOTMSA-UHFFFAOYSA-N
rxn:1:62116:30773,CC(C)C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HICHMPJQJJPNJT-UHFFFAOYSA-N
rxn:1:62130:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,QFBCHQMHBSYNCE-UHFFFAOYSA-N
rxn:1:63080:30446,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5cc(C7CC7)ccc5OCCCN(C(=O)c5ccon5)CCCN(C)C6=O)nn4)CC3=O)cc2)CC1,DDLTZXUBRWOOHU-XSFPSFIISA-N
rxn:1:63418:30868,Cc1cc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)cc1Cl,OJKRUMWUPOYYQV-UHFFFAOYSA-N
rxn:1:63582:30850,Cc1cc(Br)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c([N+](=O)[O-])c1,QBLXRMVTIIYHHA-UHFFFAOYSA-N
rxn:1:63666:30724,Cc1nc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)sc1C(=O)N(C)C,QTNZCJRRMQCANB-UHFFFAOYSA-N
rxn:1:63910:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(-c5nncn5C)c4)C3)nn1)CC2,BVTOCMJPMWFYIK-UHFFFAOYSA-N
rxn:1:64330:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C(=O)O)ccc(F)c4F)C3)nn1)CC2,JMERZFIXSDQBNR-UHFFFAOYSA-N
rxn:1:64690:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cc4)C3)nn1)CC2,VGTAPUVHAPQLEO-UHFFFAOYSA-N
rxn:1:64734:30791,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccc2F)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)cn5)C4)nn3)CC2)N1,FKMIVPSMIVYXII-UHFFFAOYSA-N
rxn:1:64734:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,FRQBSPWCBSEWSP-UHFFFAOYSA-N
rxn:1:65468:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N5CCCCC5)nc(N)n4)C3)nn1)CC2,UZDLDYARTWSTPR-UHFFFAOYSA-N
rxn:1:51271:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3C(c4ccc5ncnc(N)c5c4)C3(F)F)nn1)CC2,HNRRCYZWCZRKTK-UHFFFAOYSA-N
rxn:1:51455:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3C(c4ccc(N5CCN(C)CC5)cc4)C3(F)F)nn1)CC2,RRCIQKNQVQTRRW-UHFFFAOYSA-N
rxn:1:51529:30881,CC#CCn1c(C2C(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6C)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C2(F)F)nc2c1c(=O)[nH]c(=O)n2C,BUBPLLCRJJWFQM-UHFFFAOYSA-N
rxn:1:51529:30908,CC#CCn1c(C2C(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncc(F)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C2(F)F)nc2c1c(=O)[nH]c(=O)n2C,GAJKXZGBGOOMOO-UHFFFAOYSA-N
rxn:1:52682:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cc4c(O)ncnn4c3)nn1)CC2,ARNNEQSASZNWET-UHFFFAOYSA-N
rxn:1:52913:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cncc([N+](=O)[O-])c3N)nn1)CC2,LQRQCOXSOYUHGO-UHFFFAOYSA-N
rxn:1:52915:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cnc(N)c([N+](=O)[O-])c3)nn1)CC2,LFUUQXUFJAVGOM-UHFFFAOYSA-N
rxn:1:53085:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc4ncnc(Cl)c4c3)nn1)CC2,ABNGVWNBJKLZRK-UHFFFAOYSA-N
rxn:1:54478:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cnc(N)c(C(=O)O)c4)C3(F)F)nn1)CC2,SDCUNWKSOQJCQN-UHFFFAOYSA-N
rxn:1:56159:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3ccc(CC(=O)O)cc3)nn1)CC2,VAYPFMAAIJSYHK-UHFFFAOYSA-N
rxn:1:56433:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3cc(CC(=O)O)ccc3F)nn1)CC2,PHDPCSKEWHWIIW-UHFFFAOYSA-N
rxn:1:58999:29787,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCOC6(CCN(C(=O)c7cnco7)CCCOc7ccccc7C(=O)NC6)C5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,ZMIMQJLVMHAMIW-HUNNZIRQSA-N
rxn:1:59729:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(S(=O)(=O)c5c(C)nn(C)c5C)C4)nn2)CC3)cn1,FPWMBSDFQSYPRA-UHFFFAOYSA-N
rxn:1:60009:30486,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCCOc3ccccc3C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,GSKDOAVCFPWJFN-ALKIKZFASA-N
rxn:1:60224:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,BTCFQXYOLLDQCX-UHFFFAOYSA-N
rxn:1:60334:25102,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(-c3nc(NCc4ccccc4)c4c5c(sc4n3)COC(C)(C)C5)nn2)c2ccc(Cl)cc21,WHGVXUUXSZKYNM-UHFFFAOYSA-N
rxn:1:60391:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CC2,HUVIXJVUMXUTRD-UHFFFAOYSA-N
rxn:1:60436:30851,Cc1ccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)oc2c1,JYZYLKHPTCFILK-UHFFFAOYSA-N
rxn:1:60457:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4cccc(C(F)(F)c5nc6cc(S(N)(=O)=O)ccc6o5)c4)nn2)CC3)cn1,GMOZGMRHQDIWRW-UHFFFAOYSA-N
rxn:1:60573:30907,N=C(Sc1nnc[nH]1)C(F)(F)c1cccc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c1,WHMOLXWNQNIQOA-UHFFFAOYSA-N
rxn:1:61351:30613,CCNc1nc(=O)n([C@H]2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)[C@@H](CO)O2)cc1C,UAAFDOXGTUYWSH-KZHFDWEVSA-N
rxn:1:61464:30668,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccncc2)CCC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCCCC5)s4)nn3)CC2)N1,KZGMNAQJFMLGIT-UHFFFAOYSA-N
rxn:1:61472:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N[C@H]5CC[C@H](O)CC5)s4)nn3)CC2)CC1,VRDDZWQDSXMKRD-AQIBZMTGSA-N
rxn:1:61616:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4nc(N)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ILJPXAIEIWNURP-XUWULSGGSA-N
rxn:1:61819:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(-c4ccc(OC(F)(F)F)c(Cl)c4)nn3)CC2)N1,RSLCMINXTGCPBE-UHFFFAOYSA-N
rxn:1:62102:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,NBZHHOSSHWOQHS-UHFFFAOYSA-N
rxn:1:62115:24445,CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,VDMUOWVDCLVJHT-UHFFFAOYSA-N
rxn:1:62116:30690,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C(=O)N6CCC(C7CCN(C(=O)c8ccccn8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)cc3C2=O)C(=O)N1,HIGDFFAVXBKXBW-UHFFFAOYSA-N
rxn:1:62117:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,GVNKRHWEZKCMRS-UHFFFAOYSA-N
rxn:1:62123:30723,O=C1CCC(N2C(=O)c3cccc(N4CCC(n5cc(C(=O)N6CCC(C7CCN(C(=O)C8CCCC8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)C4)c3C2=O)C(=O)N1,YMPVEROJVYYEML-UHFFFAOYSA-N
rxn:1:62272:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,UOEHYVHVCJFBPF-UHFFFAOYSA-N
rxn:1:62883:30629,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n(C(C)(C)C)n1,HCBDCNBUEBMEDV-UHFFFAOYSA-N
rxn:1:64398:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(F)cc([N+](=O)[O-])cc4Br)C3)nn1)CC2,SORGWYHYFHDUTH-UHFFFAOYSA-N
rxn:1:64653:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6c(Br)n[nH]c6c5)C4)nn3)CC2)CC1,LMLJBZHWIGFSFB-UHFFFAOYSA-N
rxn:1:65061:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ncnc6ccc(Br)cc56)C4)nn3)CC2)CC1,WFVSHHVYRTVPSC-UHFFFAOYSA-N
rxn:1:65207:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N6CCOCC6)ncn5)C4)nn3)CC2)CC1,ZNFDRXQNAPKYGM-UHFFFAOYSA-N
rxn:1:65309:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(Cn5cncn5)c4)C3)nn1)CC2,WWCZGPLXUVNDJJ-UHFFFAOYSA-N
rxn:1:42106:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC#Cc4ccc(F)cc4Cl)nn3)CC2)CC1,YSNMRDDFXDHJCG-UHFFFAOYSA-N
rxn:1:43934:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](F)[C@@H]3O)nn1)CC2,YCVPCMVTWGOIPG-PRKVFCCESA-N
rxn:1:44043:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,MYJVKFQASBYPJQ-ISVWDLEJSA-N
rxn:1:44403:30008,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)C6CCC6)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,RGQMQMSOXBEBKI-VDVFPWJSSA-N
rxn:1:46481:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC=Cc3ccc(S(N)(=O)=O)cc3F)nn1)CC2,ZBYIFELNLKKCME-UHFFFAOYSA-N
rxn:1:47944:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc(S(N)(=O)=O)cc3F)nn1)CC2,AYRMBVHVSQWNRY-UHFFFAOYSA-N
rxn:1:50302:30850,Cc1cc(N)c(N)cc1C1C(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)C1(F)F,CWDKXGDSBMJFQN-UHFFFAOYSA-N
rxn:1:50980:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(CC(=O)O)cc4F)C3(F)F)nn1)CC2,MAEOABHGNATCNJ-UHFFFAOYSA-N
rxn:1:51733:30288,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(Cc6nc7ccccc7n6C)CC6(CC6)Cn6nccc6C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,ARQCGLOBXITAHS-UHFFFAOYSA-N
rxn:1:51733:30668,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,UDEQXBMTCVSBBG-UHFFFAOYSA-N
rxn:1:54085:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4cccc(C(=N)N)c4)C3(F)F)nn1)CC2,CXVXPRDAEAKZLR-UHFFFAOYSA-N
rxn:1:54481:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CCC4C(c5cnc(C(=O)O)c(N)c5)C4(F)F)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,HCCZRFZMRDKDMB-UHFFFAOYSA-N
rxn:1:56435:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3ccc(CC(=O)O)c(Cl)c3)nn1)CC2,OEPVLXLTYYFBLO-UHFFFAOYSA-N
rxn:1:56826:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3cc(C(N)=O)cc([N+](=O)[O-])c3)nn1)CC2,BIGFYXBHXKTKKB-UHFFFAOYSA-N
rxn:1:60086:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCOC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn1)CC2,NSLKDGOMDJDHCW-OCVZMNNUSA-N
rxn:1:61463:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)NC5CCCC5)s4)nn3)CC2)CC1,GWDQQWFFZIEOOG-UHFFFAOYSA-N
rxn:1:61565:30793,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccccc8F)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,BCGDBMODYBUXJB-DVRYHYKFSA-N
rxn:1:61616:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,LZBHGSKJNQYFTR-VHZYGSBASA-N
rxn:1:62112:30459,Cc1cnccc1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HIJDZWFSKKCMGR-UHFFFAOYSA-N
rxn:1:62112:30658,CN1CC2(CCCN(C(=O)C3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RGIMETXRWWFTDJ-UHFFFAOYSA-N
rxn:1:62115:5537,N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,SSTVLNRHAZQZGR-UHFFFAOYSA-N
rxn:1:62116:9287,N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)c1ccccc12,QCOKVSBCLYOJOC-UHFFFAOYSA-N
rxn:1:62130:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,SSDPTGSYHWOMFL-UHFFFAOYSA-N
rxn:1:62130:30671,CN1CC2(CCCN(C(=O)c3ccncc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn1)CC2,ZJYPNXBQHMAGDY-UHFFFAOYSA-N
rxn:1:63081:30658,CN1CCN(c2ccc(N3CC(Cn4cc(C(=O)N5CCC6(CCCN(C(=O)C7CC7)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)CC3=O)nc2)CC1,KPCZHWJMCRAPNY-UHFFFAOYSA-N
rxn:1:63842:30724,Cc1n[nH]c(-c2ccc(N3CC(Cn4cc(C(=O)N5CCC6(CCCN(C(=O)C7CCCC7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)CC3=O)cc2)n1,OHQOMRQUIZAJHM-UHFFFAOYSA-N
rxn:1:64056:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4ccnc5[nH]ccc45)C3)nn1)CC2,FRDIYMMUTIJUSO-UHFFFAOYSA-N
rxn:1:64059:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(CCc5scc6c5OCCO6)C4)nn2)CC3)cn1,YQHNUBZGOQDIJS-UHFFFAOYSA-N
rxn:1:64734:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,ZXOYAAGKXVXJJB-UHFFFAOYSA-N
rxn:1:64734:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,XKZUZDBSRCXREY-UHFFFAOYSA-N
rxn:1:64734:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,ZPXCRTUXKUZNQA-UHFFFAOYSA-N
rxn:1:65076:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5[nH]nc(Br)c45)C3)nn1)CC2,AIHWDMHMYJZHKP-UHFFFAOYSA-N
rxn:1:65081:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5[nH]nc(I)c45)C3)nn1)CC2,XIJUOGDENQLXGA-UHFFFAOYSA-N
rxn:1:65236:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(CN6CCOCC6)cc5)C4)nn2)CC3)cn1,QJKMBOKDKBQMMT-UHFFFAOYSA-N
rxn:1:65240:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(Cc6ccncc6)cc5)C4)nn2)CC3)cn1,ZQUKBLADOCVMBC-UHFFFAOYSA-N
rxn:1:65436:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nccc(-c5cccnc5)n4)C3)nn1)CC2,AMBLBBCVBBYXRA-UHFFFAOYSA-N
rxn:1:44403:30171,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6ccccc6OCCCN(C(=O)c6cncc(F)c6)CCCNC7=O)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MGUKUGSJUBKZCF-KGKYTCEFSA-N
rxn:1:44403:30184,Cc1nn2c(C)c1CN(Cc1cnc3ccccc3c1)CCN(C(=O)c1cn([C@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn1)CCNC(=O)c1cccc(c1)OCCC2,RQPPTPDOYCRHAD-GSFYRGFLSA-N
rxn:1:44733:30620,Cc1ccc(C#CCCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)c(C(=O)O)c1,JXXUCLUSDAWANI-UHFFFAOYSA-N
rxn:1:49126:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc5ccccc5nc4Cl)nn3)CC2)CC1,SRUHBFZXZPRXTL-UHFFFAOYSA-N
rxn:1:49155:30620,Cc1nc(O)c2cc(C(O)C(O)CCn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)ccc2n1,IAZDFJQKOZYTFR-UHFFFAOYSA-N
rxn:1:51211:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3C(c4cnc(-n5ccnc5)nc4)C3(F)F)nn1)CC2,PEXFFIDXPBEWRE-UHFFFAOYSA-N
rxn:1:51496:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3C(c4ccc(-n5ncc(C#N)c5N)cc4)C3(F)F)nn1)CC2,RXKYNTIYWDUWLW-UHFFFAOYSA-N
rxn:1:51733:30669,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,ABDFLNFDBOHQGV-UHFFFAOYSA-N
rxn:1:51950:30629,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,ZNFRUBKUXOXQOT-UHFFFAOYSA-N
rxn:1:52482:30620,Cc1nc(C2CC2CCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)sc1C(=O)O,GCXZCYMWIHYEEK-UHFFFAOYSA-N
rxn:1:52849:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3nccc(C(=O)O)c3F)nn1)CC2,FKKGDRYYSOQZCE-UHFFFAOYSA-N
rxn:1:54086:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4ccc(C(=N)N)cc4)C3(F)F)nn1)CC2,IVVJAZNTXQFPEL-UHFFFAOYSA-N
rxn:1:54480:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(C(=O)O)cnc4N)C3(F)F)nn1)CC2,MBVBRXAASWZBKZ-UHFFFAOYSA-N
rxn:1:56436:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3ccc(CC(=O)O)c(F)c3)nn1)CC2,YCAHTPVHHSYIAB-UHFFFAOYSA-N
rxn:1:56856:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3ccc(C(=O)O)c(C(F)(F)F)c3)nn1)CC2,VVZYMNCOXVVIFE-UHFFFAOYSA-N
rxn:1:56875:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3cccc4c(C(=O)O)cccc34)nn1)CC2,KLHSXIUNZJEXKJ-UHFFFAOYSA-N
rxn:1:58599:30802,CN1CCN(c2ccc(CCCn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)cc2)CC1,IHIBSBKAWNGNGL-UHFFFAOYSA-N
rxn:1:58999:30105,CN1CC2(CCCN(C(=O)c3cc[nH]n3)CCn3nccc3C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,XUOFZRIFPNQYGV-PIBCNCGSSA-N
rxn:1:59673:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn([C@@H]4[C@@H](O)[C@H](n5cnc6c(C)ncnc65)O[C@@H]4CO)nn3)CC2)CC1,ZLDBYHQUTBTGTL-YBYDFPHRSA-N
rxn:1:60009:29935,Cc1cncc(CN2CCCC3(CCN(C(=O)c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)c1,WGVBTGIBYZJTQX-UTVRUGRBSA-N
rxn:1:60390:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)CC1,GEONVFFMGLIALL-UHFFFAOYSA-N
rxn:1:60412:30851,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)nc2c1,ZKVVWTZEEZJHMY-UHFFFAOYSA-N
rxn:1:61067:30894,Cn1ccc(C(=O)N2CCCOc3ccc(F)cc3C(=O)NCC3(CCN(C(=O)c4cn(-c5ncc6c(n5)CC5CCC7C(CCC8(C)C7CCC8(C)O)C5(C)C6)nn4)CC3)CC2)n1,QBVYOJJTTSHKIS-UHFFFAOYSA-N
rxn:1:62017:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccc(C(=O)N5CCC(C#N)CC5)cc4)nn3)CC2)CC1,SBGFDBYNMDTIKL-UHFFFAOYSA-N
rxn:1:62111:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,XFOPCYVBJVPUOF-UHFFFAOYSA-N
rxn:1:62114:30874,Cc1ccncc1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)C2)CCC1,HFASJAZVWLZVNH-UHFFFAOYSA-N
rxn:1:62117:23663,CN(Cc1cn(CC2CN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,NYKGMKFHBGOXCH-YARKEONHSA-N
rxn:1:62241:30829,CN1CC2(CCCN(C(=O)c3cnco3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@H]3C[C@H](O)[C@@H](CO)O3)nn1)CC2,GKOKIZXMIBVQIB-JGEAEGMWSA-N
rxn:1:63159:30613,COC(=O)c1cccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1O,WQZDBNWSTGXBCT-UHFFFAOYSA-N
rxn:1:63721:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6c(C)cc(Cl)cc6C(=O)O)C5)nn4)CC3)CC2)co1,SCQUTELMKGUPOP-UHFFFAOYSA-N
rxn:1:64154:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4ccc5nc[nH]c5c4)C3)nn1)CC2,VGGCJVJRZREPKM-UHFFFAOYSA-N
rxn:1:64669:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(-c6nnn[nH]6)cc5)C4)nn2)CC3)cn1,RVWNJKKBIRURKY-UHFFFAOYSA-N
rxn:1:64734:30630,CN1CC2(CCCN(C(=O)c3cnccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,VSRQDVXBQXNPPM-UHFFFAOYSA-N
rxn:1:64734:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,QBQUWGSEAFDKLK-UHFFFAOYSA-N
rxn:1:64925:25081,Cc1cccc2c1N(Cc1cn(CC3CC(=O)N(c4c(C#N)cnn4-c4ccc(Br)cc4)C3)nn1)C(=O)C21CC(O)=Nc2c1c(C)nn2-c1ncnc2[nH]cnc12,YZUDUFBIBWUZOB-UHFFFAOYSA-N
rxn:1:65000:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ncncc5Br)C4)nn2)CC3)cn1,HHTFVXUOUMBISC-UHFFFAOYSA-N
rxn:1:65468:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5cc(N6CCCCC6)nc(N)n5)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,OVHOIVHNAFUFMC-UHFFFAOYSA-N
rxn:1:65468:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(N6CCCCC6)nc(N)n5)C4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,WZLOVWCKXJJFJA-UHFFFAOYSA-N
rxn:1:50707:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4cccc(CC(=O)O)c4)C3(F)F)nn1)CC2,VGNSRYLKVAPAPH-UHFFFAOYSA-N
rxn:1:51008:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn1)CC2,FTTNJXKQJRAJNA-UHFFFAOYSA-N
rxn:1:51733:30803,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCC6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,QAFZJEAGYMQUOG-UHFFFAOYSA-N
rxn:1:52612:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC4CC4c4n[nH]c5ncnc(Cl)c45)nn2)CC3)cn1,AFRPDRULDSYIIT-UHFFFAOYSA-N
rxn:1:52612:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3CC3c3n[nH]c4ncnc(Cl)c34)nn1)CC2,DFQKBSOOBQTPGM-UHFFFAOYSA-N
rxn:1:52713:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3c(F)cccc3C(=O)O)nn1)CC2,ARJPNZSCKSNGET-UHFFFAOYSA-N
rxn:1:52994:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4cnc(Cl)c([N+](=O)[O-])c4C)nn3)CC2)CC1,CSEVTNSDBQNTML-UHFFFAOYSA-N
rxn:1:53085:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CCC4CC4c4ccc5ncnc(Cl)c5c4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,GRXXAEWOYQLOIQ-UHFFFAOYSA-N
rxn:1:54494:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4C(c5ccc(/C(N)=N/O)cc5)C4(F)F)nn3)CC2)CC1,XVWCBJVNTULZPY-UHFFFAOYSA-N
rxn:1:58999:29949,Cn1cc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C3)c3ccccc3OCC2)cn1,NXVGMYYTQKPPAS-JVZVBQCASA-N
rxn:1:58999:30445,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7ccon7)CCCOc7ccccc7C(=O)NC6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,MLAJHUKLRRNZBP-RNSMLUJPSA-N
rxn:1:58999:30456,Cc1cnccc1C(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(-c4ncc5c(n4)C[C@@H]4CC[C@@H]6[C@H](CC[C@@]7(C)[C@H]6CC[C@]7(C)O)[C@@]4(C)C5)nn3)[C@H](C2)C(=O)NCC1,NKGCAZDEPLHIKA-ALYCLNBVSA-N
rxn:1:58999:30471,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CC2,POPIPMTVEQPQNF-OXYQOJPGSA-N
rxn:1:59685:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4cnc5c(N(C)C)ncnc54)O[C@@H]3CO)nn1)CC2,PYYOZUGSUOSHPT-QBMFPLKLSA-N
rxn:1:60009:23388,CC1(CO)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CC(c4cn(C[C@H]5NC(=O)Cc6ccccc6CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC5=O)nn4)C(O)C(C)(C)C2CCC13C,QGMODGJSMZNQFK-DQSXLXBDSA-N
rxn:1:60009:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,OVVRNTLGGDTRJM-ALKIKZFASA-N
rxn:1:60009:30864,Cc1cc2n(n1)CCCN(C(=O)c1cnccc1C)CCCC1(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC1)CN(C)C2=O,MTBFEVQFTMNRTF-XYFKDZRBSA-N
rxn:1:60397:30614,Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4cccc(C(F)(F)c5nc6cc(C(=O)O)ccc6o5)c4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,XBODLOTVZCJGKT-UHFFFAOYSA-N
rxn:1:61565:30657,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)C8CC8)CCCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,UGLVNBLXUALLHJ-JZNUDFFLSA-N
rxn:1:61854:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(Cc3ccc(C(=O)N4C5CCC4CC5)s3)nn1)CC2,FXHAKXZYCZEMJY-UHFFFAOYSA-N
rxn:1:62102:30220,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JALLHUGVNQDYNO-UHFFFAOYSA-N
rxn:1:62112:30319,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC7(CCN(Cc8ccc(Cl)cn8)CCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,PMBUGSUUEQMPPZ-UHFFFAOYSA-N
rxn:1:62114:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,FMWYCODYJQYTKZ-UHFFFAOYSA-N
rxn:1:62114:30722,N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,CKVUUPIROGPAQY-UHFFFAOYSA-N
rxn:1:62117:24460,CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,NKCIBADVEOWPJL-UHFFFAOYSA-N
rxn:1:63014:30628,CCOc1ccc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(F)c1,YWODXHCWDQSIAL-UHFFFAOYSA-N
rxn:1:63081:30255,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCN(C)CC5)cn4)C3)nn1)CC2,QVECHAAEHQJNCO-UHFFFAOYSA-N
rxn:1:63896:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5nnc(C)s5)C4)nn2)CC3)cn1,NTESLAIFKFAHQT-UHFFFAOYSA-N
rxn:1:63904:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5nc(C)ns5)C4)nn2)CC3)cn1,MHYUEHYCQRDYDY-UHFFFAOYSA-N
rxn:1:64708:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5ccc(C#N)nc5)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,WOGNCRXGJCZPJR-UHFFFAOYSA-N
rxn:1:64734:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn1)CC2,ANRURNFAAQBPTJ-UHFFFAOYSA-N
rxn:1:64765:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(Br)cc4OC(F)(F)F)C3)nn1)CC2,FETHTTIJJYOTFI-UHFFFAOYSA-N
rxn:1:64859:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CC2,YLVIDKVCVVYAIS-UHFFFAOYSA-N
rxn:1:64952:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cnc(Br)cn5)C4)nn2)CC3)cn1,NSRCCBFLGHIYDA-UHFFFAOYSA-N
rxn:1:65260:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-n6cnnn6)c5)C4)nn3)CC2)CC1,YELRCGPDEVIUFQ-UHFFFAOYSA-N
rxn:1:65467:30765,COCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(N)cc(N5CCCCC5)n4)C3)nn1)CC2,LYHSYBQUJLGEFC-UHFFFAOYSA-N
rxn:1:43879:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,YUUUIMCUKHMJQB-YAWPZKMHSA-N
rxn:1:48350:30629,COc1ccc(C(O)C(O)Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cnccn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)c(Br)c1O,PIVZVIGSTDRJJL-UHFFFAOYSA-N
rxn:1:48641:30891,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC6(CCCN(C(=O)c7coc(C)n7)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,QTSIPCVSOULHQN-RGUFEFLZSA-N
rxn:1:49463:30601,Cc1noc(C)c1S(=O)(=O)N1CCC(n2cc(C(=O)N3CCC4(CCCN(C(=O)c5cscn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1,YDIGACOIAXJCNR-UHFFFAOYSA-N
rxn:1:51532:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4C(c5cn(-c6ccccc6)nc5-c5ccncc5)C4(F)F)nn3)CC2)N1,MLCMTGSEHXIBHQ-UHFFFAOYSA-N
rxn:1:52025:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc(Br)cc4N)nn3)CC2)CC1,TYSMARBHGHJWIC-UHFFFAOYSA-N
rxn:1:53040:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3cc(F)c([N+](=O)[O-])cc3F)nn1)CC2,SKYWCQFTRIYVQR-UHFFFAOYSA-N
rxn:1:54617:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(F)c(C(=O)O)cc4F)C3(F)F)nn1)CC2,IQFQFDRMYIJEPK-UHFFFAOYSA-N
rxn:1:54619:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(C(=O)O)c(F)cc4F)C3(F)F)nn1)CC2,FRVACZWWWIGPOK-UHFFFAOYSA-N
rxn:1:54816:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc5[nH]cc(C(=O)O)c5c4)C3(F)F)nn1)CC2,RSNVVSCPOKFRGW-UHFFFAOYSA-N
rxn:1:56437:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3cc(Cl)ccc3CC(=O)O)nn1)CC2,KRIZJJOEVQOAOL-UHFFFAOYSA-N
rxn:1:56625:30620,COC(=O)c1nc(C2CC2Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)cnc1N,DRWBDDKFFQFIDP-UHFFFAOYSA-N
rxn:1:58999:30136,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCCN(C(=O)c5cc[nH]n5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,JOBMXLQRHZBSMU-PIPMCUBVSA-N
rxn:1:59500:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3ccc4c(c3)CCC(=O)N4)nn1)CC2,LOBDJMNBNFJYEK-UHFFFAOYSA-N
rxn:1:60082:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCOc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nn1)CC2,FHFYCAJPXHJTNL-UHFFFAOYSA-N
rxn:1:60403:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4ccccc4C(F)(F)c4nc5ccc([N+](=O)[O-])cc5o4)nn2)CC3)cn1,IEVRRUOOEOHRSJ-UHFFFAOYSA-N
rxn:1:60444:25119,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(-c3cccc(C(F)(F)c4nc5cc(N)c(O)cc5o4)c3)nn2)c2cc3c(cc21)OCCO3,NPPARXUZIARIBV-UHFFFAOYSA-N
rxn:1:60485:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5ccccc5C(F)(F)c5nc6c(C)c(C)ccc6[nH]5)nn4)CC3)CC2)co1,RPTIVALKZFPGCF-UHFFFAOYSA-N
rxn:1:61030:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCN4CCN(C5CCOCC5)CC4)nn2)CC3)cn1,PCJMYWMMHWMHMF-UHFFFAOYSA-N
rxn:1:62081:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)nn1)CC2,YBZCWPSVFAHJDT-GNECSJIWSA-N
rxn:1:62102:30756,CN1CC2(CCCN(C(=O)CC3CCCC3)CCCn3cc(cn3)C1=O)CCCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)C2,UDWLPNOXQQEUPM-UHFFFAOYSA-N
rxn:1:62107:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WDRJFZJBZVHIJD-UHFFFAOYSA-N
rxn:1:62108:24435,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)C21C(=O)N(Cc2cn(CCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c2ccccc21,VZSRJFVAUBXYCM-UHFFFAOYSA-N
rxn:1:62112:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,BYSHEGJPGOIXMI-UHFFFAOYSA-N
rxn:1:62116:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,FBLMTKSVJGXXFC-UHFFFAOYSA-N
rxn:1:62130:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CN(c5ccc(N6CCOCC6)c(F)c5)C(=O)O4)nn3)CC2)CC1,AKICHACYYPXKJC-UHFFFAOYSA-N
rxn:1:63855:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cccc(-c6n[nH]c(C)n6)c5)C4)nn2)CC3)cn1,CAGLZIIZFYOZAX-UHFFFAOYSA-N
rxn:1:64198:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4cn[nH]c4)C3)nn1)CC2,OAHVZTDHYKOXJU-UHFFFAOYSA-N
rxn:1:64309:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5c(F)ccc(Br)c5C(=O)O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,FBZGJRFWSRLMIG-UHFFFAOYSA-N
rxn:1:64315:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(F)c(F)cc4C(=O)O)C3)nn1)CC2,LOFKGXOOQVBRHC-UHFFFAOYSA-N
rxn:1:64328:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5c(I)cccc5C(=O)O)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,IGDVWLPOFVOQSC-UHFFFAOYSA-N
rxn:1:64595:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CC2,YNJAJHOVPVNCHF-UHFFFAOYSA-N
rxn:1:64716:30856,CN1CC2(CCCN(C(=O)CC3CC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)nc4)C3)nn1)CC2,XQFIFPJNEAVKEY-UHFFFAOYSA-N
rxn:1:64925:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5c(C#N)cnn5-c5ccc(Br)cc5)C4)nn3)CC2)CC1,JNOQKLBCTPHKDI-UHFFFAOYSA-N
rxn:1:65363:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5cccnc5C#N)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,AXTQVIUXBFILDS-UHFFFAOYSA-N
rxn:1:65582:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(-c5ccncc5)s4)C3)nn1)CC2,QWZGLRPVYTZCGP-UHFFFAOYSA-N
rxn:1:44043:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,KQYKAZRCQRBUGL-ISVWDLEJSA-N
rxn:1:46762:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC=Cc3cnn(-c4ccc(Cl)nn4)c3)nn1)CC2,VEJOAUVWULTBLJ-UHFFFAOYSA-N
rxn:1:48641:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn([C@H]4c5cc6c(cc5[C@@H](c5cc(OC)c(OC)c(OC)c5)[C@H]5C(=O)OC[C@@H]54)OCO6)nn2)CC3)cn1,YFRWGJZORUBRDZ-SNLAGDPHSA-N
rxn:1:48641:30907,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC(C6CCN(C(=O)c7cncc(F)c7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,YQTSOQBAPHFLRW-ARBHMSIVSA-N
rxn:1:51820:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CN(Cc4nc(C(=O)O)cs4)CCO3)nn1)CC2,JSBDIBJFEZUATG-UHFFFAOYSA-N
rxn:1:54406:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(C(=O)O)cc4F)C3(F)F)nn1)CC2,XTHWZVWIBZWKPU-UHFFFAOYSA-N
rxn:1:56432:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3ccc(F)c(CC(=O)O)c3)nn1)CC2,UZABCZQVBZRPQI-UHFFFAOYSA-N
rxn:1:58999:29897,C[C@]12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(Cc5ccc(Cl)cn5)CCOc5ccccc56)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,RPQIRZHFTUZVJO-NRXPWZBOSA-N
rxn:1:58999:29943,C[C@]12Cc3cnc(-n4cc(C(=O)N5C[C@H]6C[C@@H](C5)c5ccccc5OCCN(C(=O)c5cc[nH]n5)CCCNC6=O)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,KGRORCHXFIKLQL-VGSDFEABSA-N
rxn:1:60009:30193,COc1ncc(CN2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,XPFHQXGREUKOPR-UTVRUGRBSA-N
rxn:1:60009:30549,Cc1ccc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CN(C(=O)c2cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn2)CCO3)cn1,GQHBVZRWYBKQFL-RORMMCOESA-N
rxn:1:60224:29935,Cc1cncc(CN2CCCC3(CCN(C(=O)c4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)c1,RIAPPFXQTPGKLY-UHFFFAOYSA-N
rxn:1:60392:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(C(=O)O)cccc5o4)nn3)CC2)CC1,WIARZGJRGIFTRL-UHFFFAOYSA-N
rxn:1:60395:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5ccc(C(=O)O)cc5o4)c3)nn1)CC2,YVGPHYGSAYPJOX-UHFFFAOYSA-N
rxn:1:60399:30629,CC(=O)c1cccc2nc(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)oc12,ZYXIDQSZCJGGIN-UHFFFAOYSA-N
rxn:1:60573:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nnc[nH]4)c3)nn1)CCNC(=O)c1cccc(c1)OCCC2,LFCAIPDNOPFECJ-UHFFFAOYSA-N
rxn:1:60642:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(S(=O)(=O)c4cn(C)cn4)C3)nn1)CC2,LJCWHAXKGJEMEB-UHFFFAOYSA-N
rxn:1:61565:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,SFCQWXDKOOUYSE-ALSVPMFHSA-N
rxn:1:62082:23375,CCC(=O)Nc1nc2c(s1)C(=O)C(n1cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn1)CC2,VRBJDLKVPKXPAJ-UHFFFAOYSA-N
rxn:1:62102:30581,CN1CC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CCCCn3nccc3C1=O)CN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCO2,QBNOZPRFXNMBPF-UHFFFAOYSA-N
rxn:1:62112:30204,Cc1cc(C)cc(C(=O)N2CCCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)c1,UROOQUCGZSDIIE-UHFFFAOYSA-N
rxn:1:62112:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,HUADSNIEGHVJCY-UHFFFAOYSA-N
rxn:1:62115:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,PFLAVGZGSAIAII-UHFFFAOYSA-N
rxn:1:62864:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CC(n5cc(C)c(N6CCCC6)nc5=O)OC4CO)nn2)CC3)cn1,PTQGVKKOPPGHFG-UHFFFAOYSA-N
rxn:1:63249:30620,COc1ccc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccc(Cl)c(Cl)c6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)c(C(=O)O)c1,COYFBEOMUNFNTJ-UHFFFAOYSA-N
rxn:1:63855:30724,Cc1nc(-c2cccc(N3CC(Cn4cc(C(=O)N5CCC6(CCCN(C(=O)C7CCCC7)CCCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)CC3=O)c2)n[nH]1,OJGMLTHCNXVLSX-UHFFFAOYSA-N
rxn:1:64187:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4cccc5ncccc45)C3)nn1)CC2,KXQISIQJACSORT-UHFFFAOYSA-N
rxn:1:64302:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5ncc(Br)cc5C#N)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,BKRWTZOBFIFUNI-UHFFFAOYSA-N
rxn:1:64311:30735,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Br)c(F)cc4C(=O)O)C3)nn1)CC2,FQPUWTAIPGXENX-UHFFFAOYSA-N
rxn:1:64397:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5c(F)cc(I)cc5F)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,YPQSXCDQZSBVCN-UHFFFAOYSA-N
rxn:1:64716:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)nc4)C3)nn1)CC2,VRWUDKUCEGFHRM-UHFFFAOYSA-N
rxn:1:64722:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(Br)c(C(=O)O)n5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,COCGEBQZZAYLMC-UHFFFAOYSA-N
rxn:1:64925:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C#N)cnn4-c4ccc(Br)cc4)C3)nn1)CC2,XEBYHFOYHVZOLQ-UHFFFAOYSA-N
rxn:1:65081:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5[nH]nc(I)c45)C3)nn1)CC2,YOJDFPQURXMINX-UHFFFAOYSA-N
rxn:1:65308:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(Cn5ccnc5)c4)C3)nn1)CC2,USVUJQMBGOURCT-UHFFFAOYSA-N
rxn:1:41689:30850,COc1cc(C=CCn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c(OC)cc1Br,JRKCTGZQLBHDER-UHFFFAOYSA-N
rxn:1:41800:30668,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccncc2)CCC(C2CCN(C(=O)c3cn(CC=Cc4cn(-c5ccccc5)nc4-c4ccncc4)nn3)CC2)N1,WOVHATGVELYVBE-UHFFFAOYSA-N
rxn:1:51008:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(N5CCCCC5)nc(N5CCOCC5)n4)nn3)CC2)CC1,NCBDRPJVOVSXOR-UHFFFAOYSA-N
rxn:1:51215:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3C(c4ccc(-c5cc[nH]n5)cc4)C3(F)F)nn1)CC2,UCXZZASYERCKGR-UHFFFAOYSA-N
rxn:1:51950:30601,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,WJDMZFIARWYQJK-UHFFFAOYSA-N
rxn:1:51958:30620,Cc1nn(C)c(Cl)c1C1CC1CCn1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)c(Cl)c4)CCCOc4ccccc4-c4cncc(c4)C(=O)N(C)C3)CC2)nn1,DOFUIWFJHIBBSQ-UHFFFAOYSA-N
rxn:1:53184:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC4CC4c4ccc(C5CCNCC5)cc4)nn2)CC3)cn1,SYHUIUYHWBZROO-UHFFFAOYSA-N
rxn:1:53972:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccccc4C(=O)O)C3(F)F)nn1)CC2,GAZKUBZQKJKYAJ-UHFFFAOYSA-N
rxn:1:56431:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3ccc(Cl)c(CC(=O)O)c3)nn1)CC2,QMZSORCYLJVARK-UHFFFAOYSA-N
rxn:1:60203:25108,Cc1nn(-c2ncnc3[nH]cnc23)c2c1C1(CC(O)=N2)C(=O)N(Cc2cn(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn2)c2c(Br)cc(Cl)cc21,LSYYBJQFMDDITI-UHFFFAOYSA-N
rxn:1:60391:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4cccc(C(F)(F)c5nc6c(cc(S(=O)(=O)O)c7ccccc76)o5)c4)nn2)CC3)cn1,YFBNHICQHOFFOX-UHFFFAOYSA-N
rxn:1:60474:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c6c(ccc5[nH]4)C(=O)c4ccccc4C6=O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,GVONHQKEPGCJPR-UHFFFAOYSA-N
rxn:1:60509:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(C#N)ccc4[nH]3)nn1)CC2,WJLNYTXUVXOSER-UHFFFAOYSA-N
rxn:1:61067:30023,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)c2ccccc2OCCC1,QEHIPHGSHYHKSD-HUDHRQGISA-N
rxn:1:61636:30603,Cc1cc2n(n1)CCCCN(C(=O)c1cscn1)CCCC1(CCCN(C(=O)c3cn(-c4nc(I)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)C1)CN(C)C2=O,KHCOCUOSISVAIX-HDMBIGBZSA-N
rxn:1:62102:30202,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HJZWFUDYQOXPJC-UHFFFAOYSA-N
rxn:1:62106:30729,CN1CC2(CCCN(C(=O)c3cn(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CCCN(C(=O)C2CCCC2)CCCCn2nccc2C1=O,ZACOQXULFFTQNK-UHFFFAOYSA-N
rxn:1:62112:29905,CN1CC2(CCCN(Cc3ccnc4ccccc34)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WZRGFVBMZYOJQJ-UHFFFAOYSA-N
rxn:1:62112:30126,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)c6cscn6)CCCOc6ccc(C8CC8)cc67)nn5)C4)cc3C2=O)C(=O)N1,YEFFRKZAJNVOFP-MRKKGBBMSA-N
rxn:1:62112:30520,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCCC7(CCN(C(=O)c8cncc(F)c8)CCCOc8ccccc8C(=O)NC7)C6)nn5)C4)cc3C2=O)C(=O)N1,AVIRVAUPNDXQPQ-UHFFFAOYSA-N
rxn:1:62112:30580,Cc1cc2n(n1)CCN(C(=O)c1ccc(C(C)(C)C)cc1)CCCC1(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,PJWAAXSBSJTCBP-UHFFFAOYSA-N
rxn:1:62113:30679,CN1CC2(CCCN(C(=O)c3cccnc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,HFAYPJSTAMVFBP-UHFFFAOYSA-N
rxn:1:62115:30680,CN1CC2(CCCN(C(=O)c3cccnc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,ZLDJDQIVJDFTGT-UHFFFAOYSA-N
rxn:1:62136:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3C3OC(CO)C(O)C3O)nn1)CC2,SCQKAFPIBUOTRE-UHFFFAOYSA-N
rxn:1:62136:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc5c(N)ncnc5n4C4OC(CO)C(O)C4O)nn3)CC2)CC1,NWFUDOODMYGXBC-UHFFFAOYSA-N
rxn:1:62272:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(C5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)nn4)CC3)CC2)c1,PHPVUIZRWPQUSS-UHFFFAOYSA-N
rxn:1:62884:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C#N)cnn4C(C)(C)C)C3)nn1)CC2,LIYDUMVFJCKXPN-UHFFFAOYSA-N
rxn:1:63086:30671,CN1CCN(CCN2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6ccncc6)CCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)CC1,LNMDRRPYEBMUPA-UHFFFAOYSA-N
rxn:1:63959:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(C(=CC#N)c4ccccn4)C3)nn1)CC2,MEEYJHZSEAZMFP-UHFFFAOYSA-N
rxn:1:64435:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Cl)cc(Br)cc4OC(F)(F)F)C3)nn1)CC2,NOEVJDCGZHZGLL-UHFFFAOYSA-N
rxn:1:64611:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(N6CCCC6)c(F)c5)C4)nn2)CC3)cn1,DBNRCVUMBILIOO-UHFFFAOYSA-N
rxn:1:64716:30846,CN1CC2(CCCN(C(=O)C3CCOCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCOCC5)nc4)C3)nn1)CC2,MDLSGONGENQPPT-UHFFFAOYSA-N
rxn:1:64733:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(N6CCCCC6)cn5)C4)nn3)CC2)N1,POBJSILDWWENFF-UHFFFAOYSA-N
rxn:1:65236:30890,Cc1nc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(CC5CC(=O)N(c6ccc(CN7CCOCC7)cc6)C5)nn4)CC3)CC2)co1,AIRZUGMGMNGFJX-UHFFFAOYSA-N
rxn:1:65243:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(Cn5cccn5)cc4)C3)nn1)CC2,VSNTXVYNSJCEEM-UHFFFAOYSA-N
rxn:1:65336:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(OC(F)(F)F)c5)C4)nn3)CC2)CC1,VSKPAKFNSPEAAR-UHFFFAOYSA-N
rxn:1:49033:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5nc(Cl)sc5c4)nn3)CC2)CC1,ZMHDFCJZDRPVIL-UHFFFAOYSA-N
rxn:1:49286:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccnc4cc(Cl)ccc34)nn1)CC2,JSFNDDSATBLKRM-UHFFFAOYSA-N
rxn:1:49413:23375,CC(C)(C)OC(=O)N1CCC2(CC1)CC(Cn1cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn1)OC2=O,LKMMGPSWUYYIIM-UHFFFAOYSA-N
rxn:1:51136:30850,COC(=O)c1cc(N)cc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)c1,GXHOLTXRCRCUKQ-UHFFFAOYSA-N
rxn:1:51423:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(C(=O)O)c(C(F)(F)F)c4)C3(F)F)nn1)CC2,KZOPJOKOCRKTJD-UHFFFAOYSA-N
rxn:1:52379:30786,CSc1ncc(C2CC2CCn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(C)nc5)CCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)c(Cl)n1,LPLXXLMLZLMZSI-UHFFFAOYSA-N
rxn:1:53769:30921,COCc1cc(C)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,LHAMMUGAIMIHGD-UHFFFAOYSA-N
rxn:1:54396:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(F)c(C(=O)O)c4)C3(F)F)nn1)CC2,WWFPTYJPGINRGZ-UHFFFAOYSA-N
rxn:1:54403:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4c(F)cccc4C(=O)O)C3(F)F)nn1)CC2,JJVZUVYSYZFFST-UHFFFAOYSA-N
rxn:1:54405:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cccc(C(=O)O)c4F)C3(F)F)nn1)CC2,QEFJXPNHHYOGLW-UHFFFAOYSA-N
rxn:1:54468:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(C(=O)O)cc4O)C3(F)F)nn1)CC2,DATBXTSFMZOVFA-UHFFFAOYSA-N
rxn:1:58999:30501,CC(=O)N1CCCCn2nc(C)cc2C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCO2,UWPFKEOZRRWDGV-YQQDFSMRSA-N
rxn:1:60009:30576,COCC(=O)N1CCCC2(CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CN(C)C(=O)c2cc(C)nn2CC2(CC2)C1,GVBOACCRYDCPSI-WTQYMLSTSA-N
rxn:1:60009:30593,COc1ccccc1C(=O)N1CCCCn2nc(C)cc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,GFDBZOAKIQYJGU-WVUVGWLZSA-N
rxn:1:61565:29450,COc1cc2ncnc(Nc3ccc(Cl)c(-c4cn([C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)nn4)c3)c2cc1OC,JIBMCSFAUKTPCG-PCICIMIDSA-N
rxn:1:62112:30551,Cc1ncsc1C(=O)N1CCCOc2ccccc2C(=O)NCC2(CCCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C2)CC1,XYTPZAZGWDQDAH-UHFFFAOYSA-N
rxn:1:62112:30561,CCn1cc(C(=O)N2CCCOc3ccccc3C(=O)NCC3(CCCN(C(=O)c4cn(C5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)C3)CC2)cn1,QJJXMHTVFKOZNR-UHFFFAOYSA-N
rxn:1:62113:30179,Cc1nn2c(C)c1CN(Cc1ccc(Cl)cc1)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,BFVBWWFPPZEKBO-UHFFFAOYSA-N
rxn:1:62113:30671,CN1CC2(CCCN(C(=O)c3ccncc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JOOPPSWXPLMBHH-UHFFFAOYSA-N
rxn:1:62272:30239,CN1CC2(CCCN(C(=O)C3(c4ccccc4F)CC3)CCCCn3nccc3C1=O)CCN(C(=O)c1cn(C3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)nn1)CC2,UERNCSJIEKQCRZ-UHFFFAOYSA-N
rxn:1:62419:30635,CC(C)(C)OC(=O)N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccc(F)cc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)C2(CCS(=O)(=O)CC2)C1,ATPLYKSXOILWQJ-UHFFFAOYSA-N
rxn:1:63292:23375,COc1ccc(N2CC(Cn3cc(-c4cc5c(cc4N4CCC(N6CCOCC6)CC4)C(C)(C)c4[nH]c6cc(C#N)ccc6c4C5=O)nn3)CC2=O)cc1I,QYFAIQHVHKIEQH-UHFFFAOYSA-N
rxn:1:63859:23375,Cc1nc(Cl)nc(Cl)c1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,XJIUILYGNBDEFN-UHFFFAOYSA-N
rxn:1:63865:30735,Cc1nc(C)nc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)n1,YNXBKTICNLHDFK-UHFFFAOYSA-N
rxn:1:64476:30181,Cc1nn2c(C)c1CN(Cc1ccnc3ccccc13)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,JXWZSTCUJWISDV-UHFFFAOYSA-N
rxn:1:64848:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc([N+](=O)[O-])cc4C(=O)O)C3)nn1)CC2,GJKBRBXFDDPXGR-UHFFFAOYSA-N
rxn:1:64925:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(C#N)cnn4-c4ccc(Br)cc4)C3)nn1)CC2,RYLRVUHVAPEMLX-UHFFFAOYSA-N
rxn:1:65081:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5ncnc6[nH]nc(I)c56)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,PUWKOGMVUWPHAN-UHFFFAOYSA-N
rxn:1:65081:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ncnc6[nH]nc(I)c56)C4)nn2)CC3)cn1,YSZXASGDDNVULD-UHFFFAOYSA-N
rxn:1:65086:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ncnc6c5ncn6CCO)C4)nn3)CC2)CC1,CSEHSHKHZSIQCJ-UHFFFAOYSA-N
rxn:1:65207:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N5CCOCC5)ncn4)C3)nn1)CC2,YWHWGHVZTSJQNB-UHFFFAOYSA-N
rxn:1:50982:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(CC(=O)O)c(Cl)c4)C3(F)F)nn1)CC2,XCLWCIWWRRVPBQ-UHFFFAOYSA-N
rxn:1:51529:30601,CC#CCn1c(C2C(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)c6cscn6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C2(F)F)nc2c1c(=O)[nH]c(=O)n2C,PTAZKQUYVREYKH-UHFFFAOYSA-N
rxn:1:52987:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4cc([N+](=O)[O-])c(N)cc4Cl)nn3)CC2)CC1,BGSSEJGGSLZAPM-UHFFFAOYSA-N
rxn:1:53898:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC4C(c5nc[nH]c5[N+](=O)[O-])C4(F)F)nn2)CC3)cn1,IHBVQDPVPCILOX-UHFFFAOYSA-N
rxn:1:56520:30620,CSc1ncc(C2CC2Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(Cl)c(Cl)c5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)c(C(=O)O)n1,FCZXUTBWJRIJIN-UHFFFAOYSA-N
rxn:1:59672:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@@H]3[C@@H](O)[C@H](n4ccc(=O)nc4N)O[C@@H]3CO)nn1)CC2,YXSOVCCCCRSHKM-OYQUPYODSA-N
rxn:1:59795:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CCCN4S(=O)(=O)c4ccc(C)c(C)c4)nn2)CC3)cn1,IUKGTSGZHBWOOK-UHFFFAOYSA-N
rxn:1:59845:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,ZLFUNNRUDQBDPA-JDZDGBONSA-N
rxn:1:60224:23375,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(-c3cc5c(cc3N3CCC(N6CCOCC6)CC3)C(C)(C)c3[nH]c6cc(C#N)ccc6c3C5=O)nn2)CC4)cn1,ZWSFOGWPQGKVSZ-UHFFFAOYSA-N
rxn:1:60224:9844,Cc1nn(-c2nc3ccccc3s2)c2c1C(c1ccc(OCc3cn(CC(C)(C)C(=O)N4CCc5nc6ncc(-c7cnn(C)c7)cc6cc5C4)nn3)cc1)CC(=O)N2,XCRYKXHEPGTQQG-UHFFFAOYSA-N
rxn:1:60390:30801,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCC2)CCC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)N1,ZFUDCNHCJSBYFC-UHFFFAOYSA-N
rxn:1:60531:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc6ccccc6cc5[nH]4)nn3)CC2)CC1,AQGZRTQVNPRHDG-UHFFFAOYSA-N
rxn:1:61067:30261,CC12Cc3cnc(-n4cc(C(=O)N5CC[C@H]6C[C@@H]5C(=O)NCCCN(C(=O)C5CC(F)(F)C5)CCOc5ccccc56)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,LYOQYQYPYHQMQE-VALUENHESA-N
rxn:1:61482:30881,Cc1cnccc1C(=O)N1CCCC2(CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCS(=O)(=O)CC5)s4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,SUGSGQNPZGAMQL-UHFFFAOYSA-N
rxn:1:61565:30172,Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn([C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@@H](O)[C@@H]3[C@@H]4C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)nn2)c2cc(C3CC3)ccc2OCCC1,GEWIORBFGYJDDD-RFLRKGGXSA-N
rxn:1:61890:23375,Cc1cn([C@H]2CC(n3cc(-c4cc5c(cc4N4CCC(N6CCOCC6)CC4)C(C)(C)c4[nH]c6cc(C#N)ccc6c4C5=O)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,MFOGXZDUGXYTTJ-YKWHIIFHSA-N
rxn:1:62102:30425,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3ccccc3OCC3(CC3)C2)cn1,PJHJXBCHVUHBFD-UHFFFAOYSA-N
rxn:1:62112:30308,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(n5cc(C(=O)N6CCC7(CCN(Cc8ccnc9ccccc89)CCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,OIPHDSZRGSSVMR-UHFFFAOYSA-N
rxn:1:62112:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(C5CCCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,HFGCQXBAQKHPKH-UHFFFAOYSA-N
rxn:1:62112:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,CCPYPTQQVABOCG-UHFFFAOYSA-N
rxn:1:62116:30921,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,KEKINVBROMVVSJ-UHFFFAOYSA-N
rxn:1:62271:30801,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCC2)CCC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)CC2)N1,HZKHDKCBNHTAEY-UHFFFAOYSA-N
rxn:1:63009:30613,CCOc1c(Br)cc(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,MTVZXQHNWGQKBY-UHFFFAOYSA-N
rxn:1:63071:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cccc(CN(C)C)c5)C4)nn2)CC3)cn1,YTAGKHLRBYVNKX-UHFFFAOYSA-N
rxn:1:63176:30601,COC(=O)c1cc(Br)ncc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5cscn5)CCCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,KHGINHZFRGXCGF-UHFFFAOYSA-N
rxn:1:63214:23375,COc1cc(F)c(F)cc1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,WTZWVIMUIVZIQW-UHFFFAOYSA-N
rxn:1:63327:30868,COc1cc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,NRJPRGWOCIMBGZ-UHFFFAOYSA-N
rxn:1:63501:30635,Cc1cc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccc(F)cc6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)ccc1N1CCOCC1,MASWEFSKSHCBQC-UHFFFAOYSA-N
rxn:1:64287:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4c(Br)cc(C(=O)O)cc4Br)C3)nn1)CC2,JSKIMTANTZACIE-UHFFFAOYSA-N
rxn:1:64976:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ncc(Br)nc5Cl)C4)nn2)CC3)cn1,DEAQYBVKXNJOCF-UHFFFAOYSA-N
rxn:1:65086:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ncnc6c5ncn6CCO)C4)nn2)CC3)cn1,FOKPUTJVBHPBGN-UHFFFAOYSA-N
rxn:1:65125:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cc(Br)ncn5)C4)nn2)CC3)cn1,DOKJQQNELHXFNP-UHFFFAOYSA-N
rxn:1:65308:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5cccc(Cn6ccnc6)c5)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,HCUXLPKHAILJRA-UHFFFAOYSA-N
rxn:1:41016:30922,COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(-n3cc(C(=O)N4CCC5(CCCN(C(=O)c6ncoc6C)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)c12,DOYQJBPTKWYHSO-UHFFFAOYSA-N
rxn:1:43879:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn([C@]4(CI)O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,TWTUGSKKMPSNOY-WZVWPBJFSA-N
rxn:1:45148:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC#Cc3cccc4c(C(=O)O)cccc34)nn1)CC2,FDRXULPZFGAKEA-UHFFFAOYSA-N
rxn:1:51529:30613,CC#CCn1c(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)nc2c1c(=O)[nH]c(=O)n2C,YYPGSZKMCCUQAK-UHFFFAOYSA-N
rxn:1:51733:30765,COCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CC(n4cc(C)c(N5CCOCC5)nc4=O)OC3CO)nn1)CC2,CBINSBQJTHYQAA-UHFFFAOYSA-N
rxn:1:51950:30196,Cc1cn(C2CC(n3cc(C(=O)N4CCNC(=O)c5cccc(c5)OCCCn5nc(C)c(c5C)CN(C(=O)CC5CCOCC5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,SHNCQLANRHIPGE-UHFFFAOYSA-N
rxn:1:51950:30628,Cc1cn(C2CC(n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,UPZQKTGSFHSZLY-UHFFFAOYSA-N
rxn:1:52910:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc(O)c([N+](=O)[O-])c3)nn1)CC2,WBALAWPKQRERMR-UHFFFAOYSA-N
rxn:1:53205:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3CC3c3cnc4[nH]cc([N+](=O)[O-])c4c3)nn1)CC2,NZIXUSRBEQKLKY-UHFFFAOYSA-N
rxn:1:58999:30265,CC(C)C(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn2)c2ccccc2OCC1,XSDCKZWIMMFZJL-KQEXAYGXSA-N
rxn:1:59845:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn([C@@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)nn4)CC3)CC2)c1,PHPVUIZRWPQUSS-CPGBUGLFSA-N
rxn:1:60009:30476,O=C1CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(F)cn5)CCCOc5ccccc5C(=O)NC4)CC3)nn2)NC(=O)Cc2ccccc2CN1,NEHRTLRXEJVQCI-XYFKDZRBSA-N
rxn:1:60009:30849,Cc1ncncc1C(=O)N1CCOCCOc2ccccc2C(=O)NC(C2CCN(C(=O)c3cn(C[C@H]4NC(=O)Cc5ccccc5CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC4=O)nn3)CC2)CC1,PAWZWLKTCNAMGV-IQRYRTTRSA-N
rxn:1:60390:30734,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCCC2)CCC(C2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)nn3)CC2)N1,ZIFGVAOQWAKIIX-UHFFFAOYSA-N
rxn:1:60444:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5cc(N)c(O)cc5o4)c3)nn1)CC2,JLTQROMBFRHPHY-UHFFFAOYSA-N
rxn:1:60629:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@@H](N5)C(O)[C@H]4O)[C@H](O)C3O)nn1)CCNC(=O)c1cccc(c1)OCCC2,RVJVSXIRIJMOPX-FBDCZIOASA-N
rxn:1:60632:30630,CN1CC2(CCCN(C(=O)c3cnccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OC(C)(C)O[C@@H]43)nn1)CC2,KAGFHJZJLUDTEY-STGZTNIGSA-N
rxn:1:61436:24460,Cc1cn([C@H]2CC(n3cc(CN4C(=O)C5(C(C#N)=C(N)N(c6cccnc6)C6=C5C(=O)CC(C)(C)C6)c5ccccc54)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,PXUQWEZPXGAILU-YSJFUNCUSA-N
rxn:1:61436:30175,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCNC(=O)c5cccc(c5)OCCCn5nc(C)c(c5C)CN(Cc5ccc6ncccc6c5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,VZJSPNNSTQMQIZ-AMQRDRJUSA-N
rxn:1:61636:30707,CCCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,IUCYDXGMYRUFMJ-VHZYGSBASA-N
rxn:1:62102:29925,Cn1ccc(CN2CCCC3(CCN(C(=O)c4cn(C5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)n1,PGWBATDXDLVEPM-UHFFFAOYSA-N
rxn:1:62102:30240,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,DQRXNRLCYWGHPC-UHFFFAOYSA-N
rxn:1:62110:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CC2,RINVOFYWGVNUIO-UHFFFAOYSA-N
rxn:1:62111:30491,Cc1nccc(CN2CCCCOc3ccccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn2)CC3)n1,DUVFNSUEUBDVAB-UHFFFAOYSA-N
rxn:1:62114:9529,N#CC1=C(n2cccc2)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)c1ccccc12,QTFSLECGWBMZNZ-UHFFFAOYSA-N
rxn:1:62278:30628,N#CC(C#N)=C1C=C(C=Cc2ccc(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)cc2)Oc2ccccc21,TTYQQKORBNYJNJ-UHFFFAOYSA-N
rxn:1:62360:23375,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-n3cc(-c4cc5c(cc4N4CCC(N6CCOCC6)CC4)C(C)(C)c4[nH]c6cc(C#N)ccc6c4C5=O)nn3)ccc1-2,DCANRKZKWDDKDZ-UHFFFAOYSA-N
rxn:1:64040:30736,CN1CC2(CCCN(C(=O)C3CCCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4ccc5nc[nH]c5c4)C3)nn1)CC2,ZALUEYSMLMMSFJ-UHFFFAOYSA-N
rxn:1:64300:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ncc(Cl)nc5Br)C4)nn2)CC3)cn1,FRECJDNQXLDGQO-UHFFFAOYSA-N
rxn:1:64478:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(N)nc(Br)c4C#N)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,YAQIAGISEKWFKY-UHFFFAOYSA-N
rxn:1:64595:30182,Cc1nn2c(C)c1CN(Cc1ccc(C#N)cc1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(-n5cncn5)c(Cl)c4)C3)nn1)CCNC(=O)c1cccc(c1)OCCC2,IFZFYEBCCVLXIU-UHFFFAOYSA-N
rxn:1:64595:30791,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2ccccc2F)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6cncn6)c(Cl)c5)C4)nn3)CC2)N1,VROSUKSVDQDOOH-UHFFFAOYSA-N
rxn:1:64670:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc(-n6ccnc6)cc5)C4)nn3)CC2)N1,FKOHVOGHZYFIEU-UHFFFAOYSA-N
rxn:1:64938:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5nc(Cl)ncc5I)C4)nn2)CC3)cn1,ZMIGZCOLKVIPGP-UHFFFAOYSA-N
rxn:1:65236:30658,CN1CC2(CCCN(C(=O)C3CC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(CN5CCOCC5)cc4)C3)nn1)CC2,AFMMRSCFVDVYPH-UHFFFAOYSA-N
rxn:1:65547:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5cnccn5)C4)nn2)CC3)cn1,UHVRGICDLZOEKW-UHFFFAOYSA-N
rxn:1:44403:29906,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(Cc8ccc9nccnc9c8)CCCn8cc(cn8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,SXSSCJJMIGFPMA-TYXWMRSFSA-N
rxn:1:44403:29948,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6C[C@H]7C[C@@H](C6)c6ccccc6OCCN(Cc6ccc8nccnc8c6)CCCNC7=O)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,LFMVFUMBASLSIO-KJIINLKBSA-N
rxn:1:48107:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4cc(C(=O)O)ccc4c3)nn1)CC2,MKWPYOUKPUCKMA-UHFFFAOYSA-N
rxn:1:49124:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc4c(Cl)ccnc4c3)nn1)CC2,IYLPDGABECDQNB-UHFFFAOYSA-N
rxn:1:49448:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,VJUMIDKXWQWTEO-UHFFFAOYSA-N
rxn:1:49462:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,JSHJZVLAMZVZBL-PRSOBFBTSA-N
rxn:1:51136:30868,COC(=O)c1cc(N)cc(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)c1,FJMCXUSGEUZTNK-UHFFFAOYSA-N
rxn:1:54480:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(C(=O)O)cnc4N)C3(F)F)nn1)CC2,PSIJMKNZPRDCBW-UHFFFAOYSA-N
rxn:1:56430:30613,COc1cc(C2CC2Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)c(OC)cc1Br,KQVCRUQWBNSUEH-UHFFFAOYSA-N
rxn:1:58999:30050,C[C@]12Cc3cnc(-n4cc(C(=O)N5CCC6(CCCN(C(=O)c7cscn7)CCCc7ccccc7C(=O)NC6)CC5)nn4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,ZOJCYKGYIMTAPU-KSDHOBAWSA-N
rxn:1:59428:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCCCCCCCCC3=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nn1)CC2,NZFXNPTZBPVESC-UHFFFAOYSA-N
rxn:1:59585:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC(=C(F)B4OC(C)(C)C(C)(C)O4)c4ccc(O)c(C(N)=O)c4)nn2)CC3)cn1,TWPUSSWIPHCUEY-UHFFFAOYSA-N
rxn:1:60087:30907,CC(=O)CC(c1ccc(-n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncc(F)c5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)cc1)c1c(O)oc2ccccc2c1=O,KZNWYVQRKWGPPX-UHFFFAOYSA-N
rxn:1:60224:30734,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(C(=O)N3CCC(C5CCN(C(=O)C6CCCCC6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC3)nn2)CC4)cn1,HZIVBYVFBGEUSO-UHFFFAOYSA-N
rxn:1:60573:30175,Cc1nn2c(C)c1CN(Cc1ccc3ncccc3c1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)C(=N)Sc4nnc[nH]4)c3)nn1)CCNC(=O)c1cccc(c1)OCCC2,SPWRVDFXKAKCPW-UHFFFAOYSA-N
rxn:1:61067:30678,CN1CC2(CCCN(C(=O)c3cccnc3)CCCn3nccc3C1=O)CN(C(=O)c1cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn1)CCO2,WCERCXJBYQTZTB-UHFFFAOYSA-N
rxn:1:61482:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCS(=O)(=O)CC5)s4)nn3)CC2)CC1,KJNGJKVOCXZGQU-UHFFFAOYSA-N
rxn:1:62105:30749,CC(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,WGPPYPGVPGOHPW-UHFFFAOYSA-N
rxn:1:62114:29918,Cc1nccc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)n1,MNQKKOBTZUEEBK-UHFFFAOYSA-N
rxn:1:62114:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,HULFOCSKDBRJKO-UHFFFAOYSA-N
rxn:1:62123:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(C4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,JJLKAPILEPOHDE-UHFFFAOYSA-N
rxn:1:62271:30638,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn1)CC2,HGISIZBAZXVQJE-UHFFFAOYSA-N
rxn:1:62419:30668,CC(C)(C)OC(=O)N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccncc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)C2(CCS(=O)(=O)CC2)C1,LGQRQFBWISYHBK-UHFFFAOYSA-N
rxn:1:62466:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCC(C(=O)O)C4CCC43)nn1)CC2,SRBGDJBTFBNMHH-UHFFFAOYSA-N
rxn:1:63081:9281,CN1CCN(c2ccc(N3CC(Cn4cc(CN5C(=O)C6(C(C#N)=C(n7cccc7)N(c7cccc(Cl)c7)C7=C6C(=O)CC(C)(C)C7)c6ccccc65)nn4)CC3=O)nc2)CC1,NYKZSSKELJAPJM-UHFFFAOYSA-N
rxn:1:63147:30628,COC(=O)c1cc(Cl)c(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c(Br)c1,VDEJSKZQSNLLRA-UHFFFAOYSA-N
rxn:1:63327:30850,COc1cc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,OADSJHWBECZSAL-UHFFFAOYSA-N
rxn:1:63507:23375,Cc1cc(OC(F)(F)F)ccc1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,JFLLRSIBWHDCKB-UHFFFAOYSA-N
rxn:1:63695:30613,Cc1cc(Br)cc(C(=O)O)c1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,SMNHSMDDNNXWFY-UHFFFAOYSA-N
rxn:1:64617:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5ccc(Cl)c(I)c5)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,KLZSCMBWTJFZLS-UHFFFAOYSA-N
rxn:1:64647:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5ccc6c(c5)N5CCN=C5S6)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,XWBMMATXMCQFHV-UHFFFAOYSA-N
rxn:1:64933:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5nc(Cl)ncc5Br)C4)nn2)CC3)cn1,IAHDFXMSIPVKOZ-UHFFFAOYSA-N
rxn:1:65086:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ncnc5c4ncn5CCO)C3)nn1)CC2,SJXSYHPMLMLHPD-UHFFFAOYSA-N
rxn:1:65455:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(Cl)c(C=O)c(Cl)n4)C3)nn1)CC2,NJJXWHGNASQMPQ-UHFFFAOYSA-N
rxn:1:65556:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ncnc(Cl)c5Br)C4)nn2)CC3)cn1,PGNKEXNJIJRFDM-UHFFFAOYSA-N
rxn:1:51503:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3C(c4ccc5c(O)c(C(=O)O)cnc5c4)C3(F)F)nn1)CC2,VNRBJHDOWKCGEI-UHFFFAOYSA-N
rxn:1:51733:30846,Cc1cn(C2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCOCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,ISRPCEVPPAAWHQ-UHFFFAOYSA-N
rxn:1:52626:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc4nccnc4c3)nn1)CC2,QDCFHYJITOQAFL-UHFFFAOYSA-N
rxn:1:53769:30613,COCc1cc(C)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,DSRUDAPUTNAAHQ-UHFFFAOYSA-N
rxn:1:54262:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc5[nH]ncc5c4)C3(F)F)nn1)CC2,UMRRVWSLPQHLIM-UHFFFAOYSA-N
rxn:1:54271:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc5cn[nH]c5c4)C3(F)F)nn1)CC2,WGZFGAWTKWZQBZ-UHFFFAOYSA-N
rxn:1:54481:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4C(c5cnc(C(=O)O)c(N)c5)C4(F)F)nn3)CC2)CC1,AATZUGVOQOQLNF-UHFFFAOYSA-N
rxn:1:59731:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(C(=O)NCC5CCCO5)CC4)nn2)CC3)cn1,GSNQIUCSLGEVRL-UHFFFAOYSA-N
rxn:1:59746:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCN(C(=O)NC5CCCCC5)CC4)nn2)CC3)cn1,IITHRIOUSJNHGG-UHFFFAOYSA-N
rxn:1:60009:30226,COc1ccccc1C(=O)N1CCCCn2nccc2C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,GZAKQWMEGXZJGF-XYFKDZRBSA-N
rxn:1:60224:29921,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(C(=O)N3CCC5(CCCN(Cc6ccc(C(F)(F)F)nc6)CC6(CC6)COc6ccccc6C(=O)NC5)CC3)nn2)CC4)cn1,VPIYPYIFAZJENF-UHFFFAOYSA-N
rxn:1:60224:30891,Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)co1,QJWHMNDUIYKWTA-UHFFFAOYSA-N
rxn:1:60390:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CCNC(=O)c1cccc(c1)OCCC2,RTRJDNGTCWHPLA-UHFFFAOYSA-N
rxn:1:61472:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(Cc3ccc(C(=O)N[C@H]4CC[C@H](O)CC4)s3)nn1)CC2,UPXORHQZNWKHOG-INUXSMKFSA-N
rxn:1:61924:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn2)CC3)cn1,QIYQPOCTZQYEEB-UHFFFAOYSA-N
rxn:1:62102:30647,CN1CC2(CCCN(C(=O)c3ccnn3C)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,YDBRMFSPSDHRBX-UHFFFAOYSA-N
rxn:1:62102:30871,Cc1ccncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,XVYOPEBJIZSZMH-UHFFFAOYSA-N
rxn:1:62105:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,OYDUDRKQKZQLRZ-UHFFFAOYSA-N
rxn:1:62112:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,NUDWWFCUVPXVOG-UHFFFAOYSA-N
rxn:1:62115:30794,Cc1cc2n(n1)CCCCN(C(=O)c1ccccc1F)CCCC1(CCCN(C(=O)c3cn(CC4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)C1)CN(C)C2=O,IYRUGCYOBWJCFR-UHFFFAOYSA-N
rxn:1:62271:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)C2)C1=O,QXVSSSXCTYEDJM-UOKZHVKUSA-N
rxn:1:62271:30723,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)C2CCCC2)CCC(C2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)CC2)N1,SQKWONYMTPYEEI-UHFFFAOYSA-N
rxn:1:63111:23375,CNc1ncnc(Cl)c1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,QGWPNGZZRWEDFR-UHFFFAOYSA-N
rxn:1:63168:23375,COC(=O)c1nc(I)cnc1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,JOVBZBNKGAKWEB-UHFFFAOYSA-N
rxn:1:63213:23375,COc1cc(F)c(Br)cc1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,DNJIMLGIDOBRBB-UHFFFAOYSA-N
rxn:1:63842:30736,Cc1n[nH]c(-c2ccc(N3CC(Cn4cc(C(=O)N5CCC6(CCCN(C(=O)C7CCCCC7)CCOc7ccccc7-c7cncc(c7)C(=O)N(C)C6)CC5)nn4)CC3=O)cc2)n1,ZAKADGGKPINMLS-UHFFFAOYSA-N
rxn:1:64271:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(Cc4ccncn4)C3)nn1)CC2,TXWOLEOVISTLEE-UHFFFAOYSA-N
rxn:1:64317:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ncc(Br)cc5C(=O)O)C4)nn3)CC2)CC1,JOWAOUZSEXEXMI-UHFFFAOYSA-N
rxn:1:64318:30786,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CC5CC(=O)N(c6c(Br)cc(Br)cc6C(=O)O)C5)nn4)CC3)CN(C)C(=O)c3cncc(c3)-c3ccccc3OCC2)cn1,FAKYQEMSNXUYGD-UHFFFAOYSA-N
rxn:1:64508:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(Cl)ccc4-c4nnn[nH]4)C3)nn1)CC2,KOCNDTAFESKVIH-UHFFFAOYSA-N
rxn:1:64839:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(OC(F)(F)F)ccc4N)C3)nn1)CC2,WZZDKZITJWDDOI-UHFFFAOYSA-N
rxn:1:64859:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc5nccnc5c4Br)C3)nn1)CC2,JYPWPXDPBLQTNB-UHFFFAOYSA-N
rxn:1:64937:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5nc(Cl)ncc5F)C4)nn2)CC3)cn1,IIFZEAUMYUSZDU-UHFFFAOYSA-N
rxn:1:65272:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cccc(C#N)n4)C3)nn1)CC2,MVOPEWVYRDQFJP-UHFFFAOYSA-N
rxn:1:65431:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4nc(-c5ccccc5)ns4)C3)nn1)CC2,AYYRENGLOMAVQF-UHFFFAOYSA-N
rxn:1:65549:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nccnc4C(=O)O)C3)nn1)CC2,QPFXHMYDLODXLM-UHFFFAOYSA-N
rxn:1:44000:30601,CN1CC2(CCCN(C(=O)c3cscn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3ccc(C[C@H](N)C(=O)O)cc3I)nn1)CC2,UXWKYBPZIMKXLA-YTTGMZPUSA-N
rxn:1:44403:30274,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CC[C@@H]7C[C@H]6C(=O)NCCCN(C(=O)C6CC(F)(F)C6)CCCOc6ccccc67)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,MPKRDRXASUQJAM-VQLIQCKPSA-N
rxn:1:48641:30206,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC6(CCN(C(=O)CC7CCOCC7)CCCn7nc(ccc7=O)C(=O)N(C)C6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,SGRCNENNTDKNBV-BNWKQCFFSA-N
rxn:1:48923:30629,CN1CC2(CCCN(C(=O)c3cnccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3ccc(N)c(F)c3Cl)nn1)CC2,GBKPZCMAMHFFKR-UHFFFAOYSA-N
rxn:1:49288:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4cc(Cl)c5cccnc5c4O)nn3)CC2)CC1,MJSZYOZBQKISKT-UHFFFAOYSA-N
rxn:1:50974:30613,COc1cc(Br)c(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6scnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)cc1OC,NARZHXVHOAAVJH-UHFFFAOYSA-N
rxn:1:51022:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4cc(F)c(C(=O)O)c(F)c4)C3(F)F)nn1)CC2,JKGSIXZBQYAMQA-UHFFFAOYSA-N
rxn:1:51142:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3C(c4ccc(S(N)(=O)=O)cc4F)C3(F)F)nn1)CC2,PCRDRDLEVGUINU-UHFFFAOYSA-N
rxn:1:52719:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3CC3c3ccc(C(=O)O)c(Cl)c3)nn1)CC2,VFBJTYDIUYHVAJ-UHFFFAOYSA-N
rxn:1:52852:30868,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4cnc(Cl)cc4C(=O)O)nn3)CC2)CC1,LATWLBYSBFKSGC-UHFFFAOYSA-N
rxn:1:53265:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc5oc(C(=O)O)cc(=O)c5c4)nn3)CC2)CC1,NMUBQKWFKDHCIH-UHFFFAOYSA-N
rxn:1:54409:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(Cl)cc(C(=O)O)c4)C3(F)F)nn1)CC2,CFHADBJKOVUPQH-UHFFFAOYSA-N
rxn:1:54845:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4c(F)c(F)c(C(=O)O)c(F)c4F)C3(F)F)nn1)CC2,YUFHVRVLXREGIW-UHFFFAOYSA-N
rxn:1:59592:30628,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C(=O)N5CCC(C6CCN(C(=O)c7cnccn7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)o3)CC2)OC1(C)C,RDVBEISBQHKXRN-UHFFFAOYSA-N
rxn:1:60224:30630,CN1CC2(CCCN(C(=O)c3cnccn3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)CC2,ZBWDPONTTFIMLR-UHFFFAOYSA-N
rxn:1:60391:30691,CN1CC2(CCCN(C(=O)c3ccccn3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c(cc(S(=O)(=O)O)c6ccccc65)o4)c3)nn1)CC2,ZIADJRAOLGLEKJ-UHFFFAOYSA-N
rxn:1:60443:25130,Cc1ccc2c(c1)C1(CC(O)=Nc3c1c(C)nn3-c1ncnc3[nH]cnc13)C(=O)N2Cc1cn(-c2ccccc2C(F)(F)c2nc3cc(N)c(O)cc3o2)nn1,PMHZSVMTUSKYBT-UHFFFAOYSA-N
rxn:1:61023:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCN4CCC(N5CCSCC5)CC4)nn2)CC3)cn1,QVCILPUCEZBMJV-UHFFFAOYSA-N
rxn:1:61067:30835,CC12Cc3cnc(-n4cc(C(=O)N5CCC(C6CCN(C(=O)c7ccon7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn4)nc3CC1CCC1C2CCC2(C)C1CCC2(C)O,UHLWXHZPLQSIAS-UHFFFAOYSA-N
rxn:1:61616:30772,CC(C)C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(-c4nc(N)c5ncn([C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)c5n4)nn3)CC2)CC1,GPYQMKRKDFXVOZ-WNUISZKXSA-N
rxn:1:62102:30580,Cc1cc2n(n1)CCN(C(=O)c1ccc(C(C)(C)C)cc1)CCCC1(CCN(C(=O)c3cn(C4CCCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC1)CN(C)C2=O,FLPFULJPKSPYSX-UHFFFAOYSA-N
rxn:1:62102:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,RYKWGOONUAFFEL-UHFFFAOYSA-N
rxn:1:62104:30178,Cc1nn2c(C)c1CN(Cc1nc3ccccc3n1C)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CCNC(=O)c1cccc(c1)OCCC2,YJTOFLPDCMAKEP-UHFFFAOYSA-N
rxn:1:62112:30865,Cc1ccncc1C(=O)N1CCCOc2ccc(F)cc2C(=O)NCC2(CCN(C(=O)c3cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn3)CC2)CC1,SRJKFEHFXIBAHY-UHFFFAOYSA-N
rxn:1:62113:30308,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(C(=O)N6CCC7(CCN(Cc8ccnc9ccccc89)CCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,CNSJODPHTWGMDR-UHFFFAOYSA-N
rxn:1:62114:30748,CC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,OESGXMZSMBCMEE-UHFFFAOYSA-N
rxn:1:62115:29873,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC7(CCCN(Cc8ccc9cccnc9c8)CCCOc8ccccc8C(=O)NC7)CC6)nn5)C4)cc3C2=O)C(=O)N1,GRZZSHKBLFOPGJ-UHFFFAOYSA-N
rxn:1:62117:24446,Cc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn(CC5CN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)nn4)c4ccccc43)C3=C2CC(C)(C)CC3=O)cc1,RCPGMVABDCGONC-UHFFFAOYSA-N
rxn:1:62290:30792,CN1CC2(CCCN(C(=O)c3ccccc3F)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3(CO)OC(n4cnc5c(N)ncnc54)C(O)C3O)nn1)CC2,VHDVRCURQUVGBO-UHFFFAOYSA-N
rxn:1:63211:23375,COc1cc(Br)c(F)cc1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,YALIWTHJFOVBQO-UHFFFAOYSA-N
rxn:1:63320:30786,COc1nc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(C)nc5)CCOc5ccccc5-c5cncc(c5)C(=O)N(C)C4)CC3)nn2)CC1=O,JRWXMHNPUMSISB-UHFFFAOYSA-N
rxn:1:63457:23375,Cc1c(I)cccc1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,ROBQELPWAYTIQH-UHFFFAOYSA-N
rxn:1:63906:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4cc(-c5cccnc5)nn4C)C3)nn1)CC2,CCEDJKYUZPMLMU-UHFFFAOYSA-N
rxn:1:64611:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCCC5)c(F)c4)C3)nn1)CC2,NMUUADBWGJDASX-UHFFFAOYSA-N
rxn:1:65130:23375,CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(-c3cn(CC4CC(=O)N(c5ccnc(C#N)c5)C4)nn3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,POOVZMLDASEOIT-UHFFFAOYSA-N
rxn:1:44403:30793,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccccc8F)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,BCGDBMODYBUXJB-VBFVZJOYSA-N
rxn:1:44403:30923,Cc1ocnc1C(=O)N1CCCC2(CCN(C(=O)c3cn([C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,SFCQWXDKOOUYSE-KYPYFLGJSA-N
rxn:1:48641:30890,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC(C6CCN(C(=O)c7coc(C)n7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,SLEAIYSSONNJKJ-OQZCHSCVSA-N
rxn:1:48920:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC(O)C(O)c3cc(F)c(N)cc3Cl)nn1)CC2,MZCNMOWHFKIUJO-UHFFFAOYSA-N
rxn:1:49014:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC(O)C(O)c3cc4cc[nH]c4cc3Cl)nn1)CC2,VXQWHAJZBSKIDT-UHFFFAOYSA-N
rxn:1:53195:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4cc(Cl)c5cccnc5c4O)nn3)CC2)CC1,RBORVYRQXNLOLW-UHFFFAOYSA-N
rxn:1:53228:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3CC3c3c(F)c(F)c(C(=O)O)c(F)c3F)nn1)CC2,YRCXQTAJPIMUQE-UHFFFAOYSA-N
rxn:1:53243:30765,COCC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3CC3c3ccc(N4CCN(C)CC4)cc3)nn1)CC2,ZJELHKYZBGIBCK-UHFFFAOYSA-N
rxn:1:53769:30850,COCc1cc(C)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)c12,VZSWFEGKRDKFLQ-UHFFFAOYSA-N
rxn:1:53896:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4ccc(NN)nc4)C3(F)F)nn1)CC2,YFIRUWUCDHKMCD-UHFFFAOYSA-N
rxn:1:54888:30922,Cc1ocnc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCC3C(c4ccc5c(O)c(C(=O)O)cnc5c4)C3(F)F)nn1)CC2,KPTROTVWWSFZSV-UHFFFAOYSA-N
rxn:1:56438:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC3c3ccc(Cl)cc3CC(=O)O)nn1)CC2,PGKMQTIMFWJBEV-UHFFFAOYSA-N
rxn:1:59699:30908,CN1CC2(CCCN(C(=O)c3cncc(F)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,MKUOVNHIBFJYQY-STGZTNIGSA-N
rxn:1:60390:29915,O=C1NCC2(CCCN(Cc3ccn4ccnc4c3)CC3(CC3)COc3ccccc31)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4c(cc(S(=O)(=O)O)c5ccccc54)o3)nn1)CC2,GCCZRKOHWKIXHB-UHFFFAOYSA-N
rxn:1:61251:30827,CCn1cc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4C[C@H](n5cc(C)c(N6CCOCC6)nc5=O)O[C@@H]4CO)nn2)CC3)cn1,GPEJNJULLKVFIG-FPRBQUIYSA-N
rxn:1:61621:30591,COc1ccccc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn([C@@H]3[C@@H](Oc4ccc5c(C)cc(=O)oc5c4)O[C@H](CO)[C@H](O)[C@@H]3O)nn1)CC2,QXGAWHIDKWLKFU-DRGNSMLHSA-N
rxn:1:61648:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(S(=O)(=O)c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)nn1)CC2,FPAJQAKKZSMZJM-UHFFFAOYSA-N
rxn:1:61714:14942,CC12CC(c3ccc(C4CC4)cc3)C3=C4CCC(=O)C=C4CCC3C1CCC2(O)C(F)(F)c1cn(-c2nc3c4ncnc3n2[C@@H]2O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]3O[C@H](N4)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)nn1,PZRSMBNEYYMOFG-BUJOGURDSA-N
rxn:1:62102:13427,O=C1CCC(N2C(=O)c3ccc(N4CCCC(n5cc(COc6ccc7ccccc7c6C=c6sc7n(c6=O)C(c6ccc(F)cc6)C6=C(N=7)c7ccccc7CC6)nn5)C4)cc3C2=O)C(=O)N1,PFVSMAXBBOIPFP-UHFFFAOYSA-N
rxn:1:62103:30240,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CIQSEKQZECCVKP-UHFFFAOYSA-N
rxn:1:62106:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn2)c2ccccc21,XKLYMDDLUBKBLO-UHFFFAOYSA-N
rxn:1:62110:30183,Cc1nn2c(C)c1CN(Cc1ccc3nccnc3c1)CCN(C(=O)c1cn(CCN(C)c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)CCNC(=O)c1cccc(c1)OCCC2,BZQCMEJZDQLALY-UHFFFAOYSA-N
rxn:1:62112:30255,Cc1cc(F)cc(C)c1C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,JREFGOFBDABKCM-UHFFFAOYSA-N
rxn:1:62114:29920,COc1ccc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)CC3)CNC(=O)c3ccccc3OCC3(CC3)C2)cn1,QYBCOOJSAWCALQ-UHFFFAOYSA-N
rxn:1:62114:30192,Cc1nn2c(C)c1CN(Cc1ccnn1C(C)C)CCN(C(=O)c1cn(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CCNC(=O)c1cccc(c1)OCCC2,APRLSQDONKIDRP-UHFFFAOYSA-N
rxn:1:63010:23375,CCOc1c(Br)cc(F)cc1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,GAUBKTYXZXXTTC-UHFFFAOYSA-N
rxn:1:63091:30668,CNC(=O)c1ccc(Cl)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccncc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,VCNJEDJDODDYMK-UHFFFAOYSA-N
rxn:1:63449:30635,Cc1c(N)cc(C(=O)O)cc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5ccc(F)cc5)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,ZZAPOKPOBOVLEB-UHFFFAOYSA-N
rxn:1:64279:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5[nH]ncc5-c5ccccc5Br)C4)nn3)CC2)CC1,AYEHAQZOJOIYMQ-UHFFFAOYSA-N
rxn:1:64314:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5cc(F)c(Br)cc5C(=O)O)C4)nn3)CC2)N1,JOPOHMYXOWNJBK-UHFFFAOYSA-N
rxn:1:64827:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(I)cc4C(=O)O)C3)nn1)CC2,GQCJGZJOUIJXIF-UHFFFAOYSA-N
rxn:1:64856:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6ncsc6c5Br)C4)nn3)CC2)CC1,QACVACPIOSYGAU-UHFFFAOYSA-N
rxn:1:64856:30628,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cnccn2)CCC(C2CCN(C(=O)c3cn(CC4CC(=O)N(c5ccc6ncsc6c5Br)C4)nn3)CC2)N1,FWFZBPQCDIMVPR-UHFFFAOYSA-N
rxn:1:65260:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(CC4CC(=O)N(c5cccc(-n6cnnn6)c5)C4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ABZQXOVVJPOYCA-UHFFFAOYSA-N
rxn:1:65468:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC3CC(=O)N(c4cc(N5CCCCC5)nc(N)n4)C3)nn2)c2ccccc21,WGEOZDMEFRSWMH-UHFFFAOYSA-N
rxn:1:65576:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(c4nnc(-c5cccc(F)c5)o4)C3)nn1)CC2,VJBYAGDQWTVRBB-UHFFFAOYSA-N
rxn:1:39926:30176,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(C(=O)N4CCNC(=O)c5cccc(c5)OCCCn5nc(C)c(c5C)CN(Cc5ccncc5)CC4)nn3)c12,ONMVYAMOXHFGFT-UHFFFAOYSA-N
rxn:1:43879:31117,C[C@]12Cc3cn4c(nc3C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1cn([C@]2(CI)O[C@@H](n3cnc5c(N)ncnc53)[C@H](O)[C@@H]2O)nn1)nc1ccccc14,HSESBFJJJZTJJD-HPYCNWOMSA-N
rxn:1:45266:30907,O=C1CCc2nc(no2)-c2ccccc2OCCCN(C(=O)c2cncc(F)c2)CCC(C2CCN(C(=O)c3cn(CCC#Cc4c(F)cc(Br)cc4Br)nn3)CC2)N1,TXBLHQTZMVEHNW-UHFFFAOYSA-N
rxn:1:47612:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC(O)C(O)c3ccc4sc(N)nc4c3)nn1)CC2,YRIVQXQMRZLVGF-UHFFFAOYSA-N
rxn:1:48641:30668,COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(C(=O)N5CCC(C6CCN(C(=O)c7ccncc7)CCCOc7ccccc7-c7noc(n7)CCC(=O)N6)CC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,USBMOHCYRVHROV-ARBHMSIVSA-N
rxn:1:49140:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC(O)C(O)c4ccc5c(c4)OCC(=O)N5)nn3)CC2)CC1,IKOGIORYLSUAJE-UHFFFAOYSA-N
rxn:1:49462:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(-c3nc4c(N)ncnc4n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn1)CC2,FITRIPBDSGICDK-STGZTNIGSA-N
rxn:1:51529:30690,CC#CCn1c(C2C(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6ccccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)C2(F)F)nc2c1c(=O)[nH]c(=O)n2C,IKWABTDOUSHCRD-UHFFFAOYSA-N
rxn:1:54240:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CCC4C(c5cnc(N)c(C#N)c5)C4(F)F)nn2)CC3)cn1,UFNKVXJTGQPWDO-UHFFFAOYSA-N
rxn:1:54616:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(Cl)c(C(=O)O)cc4F)C3(F)F)nn1)CC2,SEAAZZSNHPKXFB-UHFFFAOYSA-N
rxn:1:54621:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCC3C(c4cc(F)c(C(=O)O)c(F)c4)C3(F)F)nn1)CC2,OSVGGWVKZCKKCD-UHFFFAOYSA-N
rxn:1:58999:29966,COc1ncc(CN2CCCNC(=O)[C@@H]3C[C@@H](CN(C(=O)c4cn(-c5ncc6c(n5)C[C@@H]5CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]5(C)C6)nn4)C3)c3ccccc3OCC2)cn1,QNXUXLYTZOQLLH-PRNHLCNRSA-N
rxn:1:59684:30850,CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](n2cc(C(=O)N3CCC(C4CCN(C(=O)c5cncnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)[C@H]1O,QEKXWIGOYHJUPP-FCLGKOHNSA-N
rxn:1:59699:30636,CN1CC2(CCCN(C(=O)c3ccc(F)cc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn1)CC2,XBIAQCRSOOESEI-ZFXISCRVSA-N
rxn:1:60224:12077,CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@]12C(=O)N(Cc1cn(CC(C)(C)C(=O)N3CCc4nc5ncc(-c6cnn(C)c6)cc5cc4C3)nn1)c1ccccc12,OSFBDMKGEGWRPT-SJARJILFSA-N
rxn:1:60224:30722,Cn1cc(-c2cnc3nc4c(cc3c2)CN(C(=O)C(C)(C)Cn2cc(CN3C(=O)C5(C(C#N)=C(N)N(c6ccc(Cl)cc6)C6=C5C(=O)CCC6)c5ccccc53)nn2)CC4)cn1,TXQRUZKTGWJPAA-UHFFFAOYSA-N
rxn:1:60333:30628,CC(=O)C1CCC2C3CC=C4CC(n5cc(C(=O)N6CCC(C7CCN(C(=O)c8cnccn8)CCCOc8ccccc8-c8noc(n8)CCC(=O)N7)CC6)nn5)CCC4(C)C3CCC12C,DABDSKHAWVHZMN-UHFFFAOYSA-N
rxn:1:60494:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4C(F)(F)c4nc5cc(Br)ccc5[nH]4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,CGTJPNDAKUAMRS-UHFFFAOYSA-N
rxn:1:60538:30628,COC(=O)c1ccc2[nH]c(C(F)(F)c3ccccc3-n3cc(C(=O)N4CCC(C5CCN(C(=O)c6cnccn6)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)nc2c1,MCFAMCMHJITUCJ-UHFFFAOYSA-N
rxn:1:60629:30195,COc1ccc(CN2CCN(C(=O)c3cn(-c4nc5c6ncnc5n4[C@@H]4O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]5O[C@@H](N6)C(O)[C@H]5O)[C@H](O)C4O)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,NMMMPNLRHANONL-AJCVYTLCSA-N
rxn:1:60629:7727,Cc1cc(C)c(-c2ccc([C@H]3C[C@@]4(C)[C@@H](CC[C@@]4(O)C(F)(F)c4cn(-c5nc6c7ncnc6n5[C@@H]5O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]6O[C@@H](N7)C(O)[C@H]6O)[C@H](O)C5O)nn4)[C@@H]4CCC5=CC(=O)CCC5=C43)cc2)c(C)c1,BHIOCWDONAXOHN-LODFGCAOSA-N
rxn:1:61251:30846,Cc1cn([C@H]2CC(n3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCOCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCOCC1,ISRPCEVPPAAWHQ-FPRBQUIYSA-N
rxn:1:61482:30852,Cc1ncncc1C(=O)N1CCCC2(CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCS(=O)(=O)CC5)s4)nn3)CC2)CN(C)C(=O)c2cncc(c2)-c2ccccc2OCC1,ODTPFIPBGHKHRF-UHFFFAOYSA-N
rxn:1:61904:9352,CC(C(=O)Nc1cccc(-c2cn([C@]3(O)[C@H](O)[C@@H](CO)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,QHWQQAYJRJLPQT-LBFNJNNVSA-N
rxn:1:61924:23388,CC1(CO)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CC(c4cn(-c5nc(N)c6ncn(C7OC(CO)C(O)C7O)c6n5)nn4)C(O)C(C)(C)C2CCC13C,FTUUSILOSFIXPR-UHFFFAOYSA-N
rxn:1:62103:30222,CN1CC2(CCCN(C(=O)C3CCCCC3)CCCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,VVSJFZAEKABEHX-UHFFFAOYSA-N
rxn:1:62106:30914,CN1CC2(CCCN(C(=O)CC3CCOCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WNQKZQZVTFBMRJ-UHFFFAOYSA-N
rxn:1:62110:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCN(C)c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)CC2)CC1,HUMJXENCSQRLIT-UHFFFAOYSA-N
rxn:1:62112:30671,CN1CC2(CCCN(C(=O)c3ccncc3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,WYUREEKKORTONP-UHFFFAOYSA-N
rxn:1:62115:30344,O=C1CCC(N2C(=O)c3cc(F)c(N4CCCC(Cn5cc(C(=O)N6CCC7(CC6)CCN(C6CCN(c8ncccn8)CC6)CCCOc6ccccc6C(=O)NC7)nn5)C4)cc3C2=O)C(=O)N1,WYTDPSKVEOFDQL-UHFFFAOYSA-N
rxn:1:62115:30793,CN1CC2(CCCN(C(=O)c3ccccc3F)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,CAQNXYGTDJWOSV-UHFFFAOYSA-N
rxn:1:62257:30669,CN1CC2(CCCN(C(=O)c3ccncc3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn([C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn1)CC2,MDASZVUPNSFVSV-YTPGTJBYSA-N
rxn:1:62271:30425,Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(-c5nc6c7ncnc6n5C5OC(COP(=O)(OP(=O)(O)O)OCC6OC(N7)C(O)C6O)C(O)C5O)nn4)CC3)CN(C)C(=O)c3ccccc3OCC3(CC3)C2)cn1,OEKRLDQDDCNGAH-UHFFFAOYSA-N
rxn:1:63327:30613,COc1cc(Br)cnc1N1CC(Cn2cc(C(=O)N3CCC(C4CCN(C(=O)c5scnc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)CC1=O,CREIFDPDUBHTSJ-UHFFFAOYSA-N
rxn:1:63765:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5c(C)cc([N+](=O)[O-])cc5Br)C4)nn2)CC3)cn1,PVFJJGPRKIFIRQ-UHFFFAOYSA-N
rxn:1:64048:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CC3CC(=O)N(CCc4ccc5nccn5c4)C3)nn1)CC2,KLJUXCHTYXYDNG-UHFFFAOYSA-N
rxn:1:64575:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ccc(N6CCCC6)c(C#N)c5)C4)nn2)CC3)cn1,OZIVLGKLWAJBRO-UHFFFAOYSA-N
rxn:1:64859:30396,CN1CCCN(C(=O)c2ccnn2C)CCCOc2ccc(C3CC3)cc2[C@H]2C[C@H](CN(C(=O)c3cn(CC4CC(=O)N(c5ccc6nccnc6c5Br)C4)nn3)C2)C1=O,TUEVOZYGOIOFPJ-MFWJYYTKSA-N
rxn:1:65591:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5nnc(C6CCCCC6)s5)C4)nn2)CC3)cn1,MRHGURMFJRBZIH-UHFFFAOYSA-N
rxn:1:44403:30671,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](n5cc(C(=O)N6CCC7(CCCN(C(=O)c8ccncc8)CCOc8ccccc8-c8cncc(c8)C(=O)N(C)C7)CC6)nn5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,YMLMUPDMCPOZBG-MPOWKVKASA-N
rxn:1:50984:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4C(c5cc(Cl)ccc5CC(=O)O)C4(F)F)nn3)CC2)CC1,RBGZTRGWRRFKPA-UHFFFAOYSA-N
rxn:1:53033:30850,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CCC4CC4c4ccc(S(N)(=O)=O)c(Cl)c4)nn3)CC2)CC1,IZQYZVJKJLDLMW-UHFFFAOYSA-N
rxn:1:56573:30620,Cc1cc([N+](=O)[O-])c(F)cc1C1CC1Cn1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)c(Cl)c4)CCCOc4ccccc4-c4cncc(c4)C(=O)N(C)C3)CC2)nn1,GCCRYCHYYPXPOU-UHFFFAOYSA-N
rxn:1:58980:30620,CN1CC2(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(CCCCc3cnc(Cl)c(N)c3)nn1)CC2,OSXJCXBGEBTGMX-UHFFFAOYSA-N
rxn:1:58999:30751,CC(=O)N1CCCn2nc(C)cc2C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ncc4c(n3)C[C@@H]3CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@]6(C)O)[C@@]3(C)C4)nn1)CCO2,PGJZKHADCFEHRU-HSVRLKNISA-N
rxn:1:59592:30193,COc1ncc(CN2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(=C(F)B6OC(C)(C)C(C)(C)O6)CC5)o4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,KJBPKYYWAVCONE-UHFFFAOYSA-N
rxn:1:59592:30613,Cc1ncsc1C(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(Cc4ccc(C(=O)N5CCC(=C(F)B6OC(C)(C)C(C)(C)O6)CC5)o4)nn3)CC2)CC1,JPQFCGFMRQGGCQ-UHFFFAOYSA-N
rxn:1:59592:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)CC4)o3)nn2)c2ccccc21,DPXYLDDJJOJGRP-UHFFFAOYSA-N
rxn:1:60224:10110,Cc1ccc(NC(=O)c2sc3nc(C)n(Cc4cn(CC(C)(C)C(=O)N5CCc6nc7ncc(-c8cnn(C)c8)cc7cc6C5)nn4)c(=O)c3c2C)c(C)c1,GWJDRHNLFYTKMP-UHFFFAOYSA-N
rxn:1:60249:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(-c4cc(C(F)(F)F)cc5c(=O)nc(N6CCC7(CC6)OC[C@H](C)O7)sc45)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,XTMUOTDEQMSDAO-LJAQVGFWSA-N
rxn:1:60402:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3cccc(C(F)(F)c4nc5c([N+](=O)[O-])cccc5o4)c3)nn1)CC2,ZGFFAJSUNZWTTB-UHFFFAOYSA-N
rxn:1:61017:30869,Cc1ccncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CCN3CCN(CC4CCCO4)CC3)nn1)CC2,WEKSMZJQKUUXLB-UHFFFAOYSA-N
rxn:1:61067:30925,Cc1cc2n(n1)CCCN(C(=O)c1ncoc1C)CCCC1(CN(C)C2=O)CN(C(=O)c2cn(-c3ncc4c(n3)CC3CCC5C(CCC6(C)C5CCC6(C)O)C3(C)C4)nn2)CCO1,FJLAWUSXSAGTNU-UHFFFAOYSA-N
rxn:1:61924:30812,Cc1cccc(C(=O)N2CCCOc3ccccc3-c3noc(n3)CCC(=O)NC(C3CCN(C(=O)c4cn(-c5nc(N)c6ncn(C7OC(CO)C(O)C7O)c6n5)nn4)CC3)CC2)c1,IZFXHTNOGMGGIM-UHFFFAOYSA-N
rxn:1:62111:30725,CN1CC2(CCCN(C(=O)C3CCCC3)CCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CC2,XELKHUXQCPVLRQ-UHFFFAOYSA-N
rxn:1:62112:30235,Cc1cc(C)cc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)CC3)c1,FUIHBHUYTHNFMZ-UHFFFAOYSA-N
rxn:1:62112:30415,CC(C)C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(C3CCCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nn1)CC2,NLTJGYPEILZXTG-UHFFFAOYSA-N
rxn:1:62112:30813,Cc1cccc(C(=O)N2CCCCn3nc(C)cc3C(=O)N(C)CC3(CCC2)CCCN(C(=O)c2cn(C4CCCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nn2)C3)c1,ABWLBKUAGKZJJU-UHFFFAOYSA-N
rxn:1:62114:30154,Cc1ccc(C(=O)N2CCN(C(=O)c3cn(CC4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nn3)CCNC(=O)c3cccc(c3)OCCCn3nc(C)c(c3C)C2)cn1,DKFFGUWFCVLNLV-UHFFFAOYSA-N
rxn:1:63064:30846,CN(C)C(=O)c1ccc(N2CC(Cn3cc(C(=O)N4CCC5(CCCN(C(=O)C6CCOCC6)CCCOc6ccccc6-c6cncc(c6)C(=O)N(C)C5)CC4)nn3)CC2=O)cc1Cl,XCYUVABJLUOGCK-UHFFFAOYSA-N
rxn:1:63081:30748,CC(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3CC(=O)N(c4ccc(N5CCN(C)CC5)cn4)C3)nn1)CC2,DJBFOSUOQDZMBE-UHFFFAOYSA-N
rxn:1:63286:23375,COc1ccc(I)cc1N1CC(Cn2cc(-c3cc4c(cc3N3CCC(N5CCOCC5)CC3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)nn2)CC1=O,ZZZLXEKSUAMDMI-UHFFFAOYSA-N
rxn:1:63702:30850,Cc1cc(Br)nc(N2CC(Cn3cc(C(=O)N4CCC(C5CCN(C(=O)c6cncnc6C)CCCOc6ccccc6-c6noc(n6)CCC(=O)N5)CC4)nn3)CC2=O)c1,JBNDCCPWJRGZEY-UHFFFAOYSA-N
rxn:1:63834:9281,CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(n1cccc1)=C(C#N)C21C(=O)N(Cc2cn(CC(=O)Nc3ccc4c5c(cccc35)C(=O)N(c3ccccc3)C4=O)nn2)c2ccccc21,LOVBGYWJDBQKMT-UHFFFAOYSA-N
rxn:1:64299:30785,Cc1ccc(C(=O)N2CCCOc3ccccc3-c3cncc(c3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(CC4CC(=O)N(c5ncc(Br)nc5Br)C4)nn2)CC3)cn1,SWUBFJQDGQZKHI-UHFFFAOYSA-N