diff --git "a/Q9BY41_molecules.csv" "b/Q9BY41_molecules.csv"
--- "a/Q9BY41_molecules.csv"
+++ "b/Q9BY41_molecules.csv"
@@ -1,89095 +1,3 @@
-Molecule_ID,SMILES,InChI_Key
-004CEDDE30FE7A76_24C6DE5228CA9FBC_6029_UN,N#CC1=C(N=CC=C1)N2CCCN(CC2)[S](C3=CC(=CC(=C3)[C@H](C)O)F)(=O)=O,YWGMQXKIIQEJKW-AWEZNQCLSA-N
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-054F31E4C3DE8FE2_ACEA490BD1C579E6_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4=CC(=C(N3CCN(C)CC3)C=C4)F,OULLMNXLHFIUEF-UHFFFAOYSA-N
-06EE414AF18EF7CC_555BA566007FC49C_6035_DP,N1CC(C)(C)C1COC2=CC=C(C=C2)C=C(C#N)C#N,DGHHSSMVBUBTDZ-UHFFFAOYSA-N
-073D3F88FDB21639_A12BEFE27F14312D_6038_UN,CCCC1=CC(=CC=C1)NC(=O)C2=CC(=N[NH]2)C3=CC4=C(C=C3)C=CC=C4,DHZUHURARPXCMK-UHFFFAOYSA-N
-0778983B83031272_3702872392517781_6041_UN,C1(=CC=C(C=C1)CN=C=O)NC3=CC=C(C[N]2N=C(C)C=C2C)C=C3,ZLNGGZRRBBUEMA-UHFFFAOYSA-N
-07820E93770533BE_419B551F00301031_6031_UN,CC1=C(C=CC(=N1)C(=O)OCC2=CN=C(OC)C=C2)C#N,SYVFVZYYMAAAEO-UHFFFAOYSA-N
-07B7AB823AF1CBE0_D6911D9D43FD0609_6029_UN,N(C1(CSC1)CC(=O)O)[S](C2=CC(=CC(=C2)OCOC)F)(=O)=O,GZSXAMAIPWIFOG-UHFFFAOYSA-N
-0953542C806F82E2_3A6E175F96C5BAE9_6026_UN,CC1=CC(=NC=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCC(C3=C(C)C=CC(=C3)Cl)CC4,XYQQYCQQPOLBIG-UHFFFAOYSA-N
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-0C210CA62565E855_8757B25735C1BE71_6029_UN,FC1CCN(CC1)[S](C2=CC=C(CC(C)(C)C)C=C2)(=O)=O,QJGHCMXMJTXJHJ-UHFFFAOYSA-N
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-167B8E6A85EAD4D4_743259E7D1D1E256_6038_DP,N1CC(=CC1=O)OC(C3ON=C(C2=CC=CC(=C2)OC)C3)=O,RDAAUGFDDDZZTI-UHFFFAOYSA-N
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-rxn:2:119492:158181,CCC1CCCN1CCC(NCC1C(c2cnc3cnccn23)C1(F)F)C(C)(C)C,MEHDBGOHXLNLPG-UHFFFAOYSA-N
-rxn:2:119492:158567,CCC1CCCN1CCC(NCC1C(c2cc3cn[nH]c3cn2)C1(F)F)C(C)(C)C,ORUYZNMDHLNADD-UHFFFAOYSA-N
-rxn:2:119492:159282,CCC1CCCN1CCC(NCC1C(c2cnc3cccnn23)C1(F)F)C(C)(C)C,KCJFVDCMBVYNHV-UHFFFAOYSA-N
-rxn:2:119857:169664,CC1(C)Cc2c(cnn2-c2ccc(C(C)(C)C)cc2)C(NC2CCC3C(C2)C3(F)F)C1,JPOLXGCMTBVXOT-UHFFFAOYSA-N
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-rxn:2:125512:148822,CC1CCCC(C(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)c2cccnc2)C1,IQCIOKSWOGIOLI-UHFFFAOYSA-N
-rxn:2:137419:147279,CC(C)CN1CCCC(NCCC2C(c3ccc4[nH]nnc4c3)C2(F)F)C1(C)C,LTRNHZLJEHSONA-UHFFFAOYSA-N
-rxn:2:137419:166541,CC(C)CN1CCCC(NCCC2C(c3cnc4cccnn34)C2(F)F)C1(C)C,IUGPIHPTHBGZCE-UHFFFAOYSA-N
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-rxn:2:66687:140419,CC1CCc2cc3c(cc2C(NCC(F)(F)c2ccc(S(C)(=O)=O)cc2)C1)OCCCO3,XQMRTJJJVVTJRT-UHFFFAOYSA-N
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-rxn:2:67353:120035,CC1(C)CCC(C)(C)CC(NC2CC3CCC(C2)N3c2ccccc2)C1,OWGHMXHNPQGQMA-UHFFFAOYSA-N
-rxn:2:68780:146737,CC(C)(C)OC1CC(CNC2COc3cccc(-c4cccc5c4OC(F)(F)O5)c32)C1(C)C,KQOVIKZXAGODSP-UHFFFAOYSA-N
-rxn:2:68780:159525,CC(C)(C)OC1CC(CNC2CCOc3ccc(C(F)(F)c4nnn[nH]4)cc32)C1(C)C,ZFVCWHTZXQKNSX-UHFFFAOYSA-N
-rxn:2:69214:154050,Cc1ccc2c(c1)OC1(CCC(F)(F)CC1)CC2NC1COc2cc(S(C)(=O)=O)ccc21,RDRIFOLMQCPMAF-UHFFFAOYSA-N
-rxn:2:70121:102686,CC1(C)CCC(NC2CC3CCCC(C2)N3c2ccccc2)CC(C)(C)C1,LPIRJEGAWBHPQA-UHFFFAOYSA-N
-rxn:2:70121:99344,CC1(C)CC(NC2CC3CCCC(C2)N3c2ccccc2)CC(C)(C)C1,PZFLOGYYBGJJLW-UHFFFAOYSA-N
-rxn:2:71231:154050,Cc1ccc2c(c1)OC1(CCC(F)(F)CC1)CC2N[C@@H]1COc2cc(S(C)(=O)=O)ccc21,RDRIFOLMQCPMAF-GFOWMXPYSA-N
-rxn:2:72350:116498,CC(F)(F)c1cc(CNC2CCN(c3cc(C4CCC4)ncn3)CC2)cc(S(C)(=O)=O)c1,LWODGGTVQHZDMA-UHFFFAOYSA-N
-rxn:2:73078:73692,CC(C)(C)C(NC1CCc2cc(N3CCC(F)(F)CC3)ccc21)c1n[nH]c(C2CC2)n1,PHBNOAQKUBQYPK-UHFFFAOYSA-N
-rxn:2:73331:136824,CC(C)(C)c1ccc(N2CCC(Nc3cc(C4CCC(F)(F)C4)[nH]n3)C(C)(C)C2)cc1,XDSXWJNPYINOCV-UHFFFAOYSA-N
-rxn:2:73692:77771,CC(C)(C)[C@@H](NC1CCc2cc(N3CCC(F)(F)CC3)ccc21)c1n[nH]c(C2CC2)n1,PHBNOAQKUBQYPK-ANYOKISRSA-N
-rxn:2:73692:77946,C[Si](C)(C)c1cn(C2CCC2NC2CCc3cc(N4CCC(F)(F)CC4)ccc32)nn1,GKGVRSDJYJUBPI-UHFFFAOYSA-N
-rxn:2:75425:106594,CC1CN(C(C)c2ccncc2)CCC1NC1CC2(F)CCC1(C)C2(C)C,QWBFHNSXCCXACQ-UHFFFAOYSA-N
-rxn:2:76459:78169,CC(C)(C)Sc1ccccc1[C@@H](NC1CCc2c(nnn2C2CC(F)(F)C2)C1)C1CC1,ZSRHWOKLKQWUHD-XLDIYJRPSA-N
-rxn:2:76459:90406,CC(C)(C)Sc1ccccc1[C@H](NC1CCc2c(nnn2C2CC(F)(F)C2)C1)C1CC1,ZSRHWOKLKQWUHD-VXNXSFHZSA-N
-rxn:2:79791:117352,CSc1ccc(C(CS(C)(=O)=O)NCC(c2ccc(C3CCCCC3)cc2)C2CC2)cc1,ROFHXMJQXZDWMB-UHFFFAOYSA-N
-rxn:2:79791:89691,CSc1ccc(C(CS(C)(=O)=O)NC(c2ccc(C3CCCCC3)cc2)C2CCC2)cc1,VUSGJJDUNNINMZ-UHFFFAOYSA-N
-rxn:2:79873:112402,COC1COc2cc(C(C)C)ccc2C1Nc1cc(C2CC(F)(F)C2)nn1C(C)(C)C,MVNROJNGYYOYME-UHFFFAOYSA-N
-rxn:2:81469:99091,CC(C)(C)OC1CC(Nc2cccnc2N2CCC(F)(F)CC2)C1(C)C,DDHRMCBEBIRNJM-UHFFFAOYSA-N
-rxn:2:82169:162214,CC(C)(C)c1cccc(C2C(CNC3CCCc4c3cnc3nc(C5CCCCC5)nn43)C2(F)F)c1,HPCWEKSJWXFNQU-UHFFFAOYSA-N
-rxn:2:82482:150699,CCC(CN1CCN(C(C)(C)C)CC1)NCC1C(c2cnc3ccccn23)C1(F)F,WLUVYIQSCSYQGM-UHFFFAOYSA-N
-rxn:2:83177:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2CCN(c3ccnc(C4CC4)n3)CC2)cc1,DMFQDEWFJWXWCJ-UHFFFAOYSA-N
-rxn:2:85094:112402,COC1COc2c(C(C)C)cccc2C1Nc1cc(C2CC(F)(F)C2)nn1C(C)(C)C,GHUQXMXFFIIMAB-UHFFFAOYSA-N
-rxn:2:85094:120347,CCC(C)C(NC1c2cccc(C(C)C)c2OCC1OC)c1ccc2c(c1)OCCCO2,IJMUOAUNWACZRS-UHFFFAOYSA-N
-rxn:2:86964:96152,CC(NC1CCN(c2ccc3c(c2)OCCCO3)C1)C(F)(F)C(C)(C)C,PLEJTHWLBDCJLI-UHFFFAOYSA-N
-rxn:2:87783:154050,Cc1ccc2c(c1)OC1(CCC(F)(F)CC1)CC2NC1COc2ccc(S(C)(=O)=O)cc21,WBETUYNPAYOXJS-UHFFFAOYSA-N
-rxn:2:88696:99091,CC(C)(C)OC1CC(Nc2ccnn2C2CCC(F)(F)CC2)C1(C)C,IBMFPMSTYZBZTG-UHFFFAOYSA-N
-rxn:2:95218:119204,Cc1cccc(C(C)C)c1N1CCCC(NCC2C(c3cn[nH]c3C)C2(F)F)C1(C)C,XGTRLJQHLLRLAF-UHFFFAOYSA-N
-rxn:2:95218:135886,Cc1cccc(C(C)C)c1N1CCCC(NCCC2C(c3nc[nH]n3)C2(F)F)C1(C)C,RXZRZZNUIKIVPH-UHFFFAOYSA-N
-rxn:2:95218:147279,Cc1cccc(C(C)C)c1N1CCCC(NCCC2C(c3ccc4[nH]nnc4c3)C2(F)F)C1(C)C,CTEFSNWCGODFDS-UHFFFAOYSA-N
-rxn:2:95218:153225,Cc1cccc(C(C)C)c1N1CCCC(NCC2C(c3ccc4c(C)n[nH]c4c3)C2(F)F)C1(C)C,YYJOQYKXZDQPHK-UHFFFAOYSA-N
-rxn:2:95218:94835,Cc1cccc(C(C)C)c1N1CCCC(NCCC2C(c3c[nH]cn3)C2(F)F)C1(C)C,SYLYJXCOMLMBPD-UHFFFAOYSA-N
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-rxn:2:97251:102938,CC(C)(C)c1n[nH]c(C(Cc2ccccc2)NC2CCC3(CC2)C(C2CC2)C3(F)F)n1,QZFQINUGWKMHLO-UHFFFAOYSA-N
-rxn:2:98966:134384,CCC1CCCN(CC(NC2c3ncccc3CC2(F)F)C(C)(C)C)C1,WCIHILSNNAPTAJ-UHFFFAOYSA-N
-rxn:2:99091:101381,CC(C)(C)OC1CC(Nc2cccnc2N2CCCC(F)(F)C2)C1(C)C,PBNYHXBLHKRFPK-UHFFFAOYSA-N
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-rxn:2:99163:155159,C[C@@H](NC(CC1=NCCO1)c1ccc(S(C)(=O)=O)cc1)c1cccc(S(F)(F)(F)(F)F)c1,KFQQATSENRRFPV-MJTSIZKDSA-N
-rxn:1:11095:61133,O=C(C1CC=CC1)N1CC(n2cc(CN3C(=O)SC(=Cc4ccc(Br)s4)C3=O)nn2)C1,BXBDLQKRHCGAAA-UHFFFAOYSA-N
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-rxn:1:12278:63080,CN1CCN(c2ccc(N3CC(Cn4cc(-c5cc(Br)cc(OS(=O)(=O)F)c5)nn4)CC3=O)cc2)CC1,CMAJOOSRDUMLCQ-UHFFFAOYSA-N
-rxn:1:12278:63082,CN1CCN(c2ccccc2N2CC(Cn3cc(-c4cc(Br)cc(OS(=O)(=O)F)c4)nn3)CC2=O)CC1,UFVJAWXLGYYIKA-UHFFFAOYSA-N
-rxn:1:12278:63946,O=C1C=C(N2CC(Cn3cc(-c4cc(Br)cc(OS(=O)(=O)F)c4)nn3)CC2=O)CCC1,PAQMOCUAWSJCAB-UHFFFAOYSA-N
-rxn:1:12278:64575,N#Cc1cc(N2CC(Cn3cc(-c4cc(Br)cc(OS(=O)(=O)F)c4)nn3)CC2=O)ccc1N1CCCC1,GVJCGAQNIBVQBZ-UHFFFAOYSA-N
-rxn:1:12278:64612,O=C1CC(Cn2cc(-c3cc(Br)cc(OS(=O)(=O)F)c3)nn2)CN1c1ccc(N2CCCCC2)c(F)c1,UPCHQYUOURNNGJ-UHFFFAOYSA-N
-rxn:1:12278:64689,O=C1CC(Cn2cc(-c3cc(Br)cc(OS(=O)(=O)F)c3)nn2)CN1c1ccc(N2CCCCCC2)cc1,SETMYGVMAHEIDO-UHFFFAOYSA-N
-rxn:1:13575:59646,COc1cc(OC)cc(C(=O)N2CCC(n3cc(-c4cccc(C(=O)N5CCN(c6ncc(Br)cn6)CC5)c4)nn3)CC2)c1,CSHGMNWLKKTWQM-UHFFFAOYSA-N
-rxn:1:18104:60253,O=S1(=O)CCC(n2nc3c(c2-c2cn(-c4ccc([As](=O)(O)O)cc4)nn2)CN(CC(F)(F)F)CC3)C1,WLMABMRARNHNLD-UHFFFAOYSA-N
-rxn:1:2265:54860,CN1CCN(c2ccc(C3C(CCn4cc(C5(S(=O)(=O)F)CC5)nn4)C3(F)F)cc2)CC1,OIOAWESLTRKUGJ-UHFFFAOYSA-N
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-rxn:1:2481:43574,O=C1C=CC(=O)N1c1ccc(C#CCn2cc(C3CCN(S(=O)(=O)Cl)CC3)nn2)cc1,IGYNHMXMJRFIHU-UHFFFAOYSA-N
-rxn:1:27166:63400,C[Si](C)(C)C#Cc1ccccc1N1CC(Cn2cc(C3CC(=O)N(c4cnnc(Cl)c4)C3)nn2)CC1=O,YAMCPNWTGZUHFG-UHFFFAOYSA-N
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-rxn:2:111356:123907,CCCC1c2[nH]cnc2CC(CNC(C)c2ccc(C(C)(C)C)cc2C(C)(C)C)N1C,WWSVRUFBEXHTDT-UHFFFAOYSA-N
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-rxn:2:111465:149518,CC(NC1CN(c2ccc3c(c2)OCO3)C(C)(C)C1)c1ccc(N2CCS(=O)(=O)CC2)cc1,APBHYGCCBDTXLH-UHFFFAOYSA-N
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-rxn:2:115989:169144,CC(NCC(F)(F)c1ccccc1S(=O)(=O)F)c1ccc(C(F)(F)C(=N)SC2CCCC2)cc1,BXCYMRHEWSEEBE-UHFFFAOYSA-N
-rxn:2:115989:78214,CC(NCC(F)(F)c1ccccc1S(=O)(=O)F)c1ccc(OC(C)C2CCCCN2C)cc1,FAVVYUJONVVSHX-UHFFFAOYSA-N
-rxn:2:116349:116448,CCC(C)N1CC(CNC(CC23CC(C2)C3)c2ccccc2)CC1(C)C,SVDCYTVZVQIIEX-UHFFFAOYSA-N
-rxn:2:117412:125199,CC(NC1CCC(S(C)(=O)=O)CC1)c1ccc(N2CCC(F)(F)CC2)cc1,NZUVMQKWNCHWDK-UHFFFAOYSA-N
-rxn:2:118001:72665,Cc1cc(C)c(CN2CCCC(NCC(C)(C)Cc3ccc(C(C)(F)F)cc3)C2)c(C)c1,LNNDKFUMVOFMQS-UHFFFAOYSA-N
-rxn:2:118366:130996,CN1CCC(NCC(c2ccccc2)N2CCOCC2(C)C)C(C)(C)C1,MOOLXPNMQKZYMF-UHFFFAOYSA-N
-rxn:2:118420:118828,CC(C)(C)C(Nc1ccc(N2CCC(C(C)(F)F)CC2)cc1)c1ccc(C2CCCC2)cc1,DPKIMLYRRPLQPF-UHFFFAOYSA-N
-rxn:2:118420:122026,CCC(Nc1ccc(N2CCC(C(C)(F)F)CC2)cc1)c1ccc(N2CCCCC2)nc1C,FSZVBIHHSXKYCS-UHFFFAOYSA-N
-rxn:2:118714:127780,CCC(NCCN1CCC(S(C)(=O)=O)CC1)c1ccc(N2CCC(F)(F)CC2)cc1,HOJFRWICXXCJLV-UHFFFAOYSA-N
-rxn:2:118828:134683,Cc1nn(C)c(C)c1C1C(CNC(c2ccc(C3CCCC3)cc2)C(C)(C)C)C1(F)F,KKAYMLTWSUYWBF-UHFFFAOYSA-N
-rxn:2:120322:137294,CCC(NCC1(CS(=O)(=O)F)CC1)c1ccc(N2CCC(F)CC2)cc1,GHTYPTYCKQJHHM-UHFFFAOYSA-N
-rxn:2:120827:94440,CCC(Nc1ccc(C)cc1S(=O)(=O)C1CCCC1)c1ccc(N2CCN(C)CC2)nc1,ONHGKODNOUVHKI-UHFFFAOYSA-N
-rxn:2:120916:117533,CCC(NC1CCC(c2ccc(C(C)(F)F)cc2)CC1)c1ccc(N2C(C)CCCC2C)cc1,MMUQIRMWFGFZQS-UHFFFAOYSA-N
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-rxn:2:120982:90405,CC(C)c1[nH]nc2c1C(N[C@@H]1CCCC[C@H]1C(C)(C)C)CCC2(C)C,XNOFADVLWQOZCC-YNPPLXCJSA-N
-rxn:2:121027:135314,CC(C)(C)C(NC1CC(c2ccccc2)C12CC(F)(F)C2)c1n[nH]c(C2CCCC2)n1,FXMYZBBQNSCGKW-UHFFFAOYSA-N
-rxn:2:123083:88050,CSc1ccc(CCC(NCC(F)(F)c2ccc(S(=O)(=O)F)cc2)C2CCCCC2)cc1,QCCVOIATJNBAMT-UHFFFAOYSA-N
-rxn:2:124832:101693,CC1(C)CCCC(NC2C(Cc3ccccc3)[C@H]3CC[C@]2(C)C3(C)C)CC1,DJDUZPBGOPDWAU-GXTWJTNJSA-N
-rxn:2:125722:151893,CCc1ccc(N2CCC(OC)CC2)c(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)c1,LNTAGEJRANJBRB-UHFFFAOYSA-N
-rxn:2:126204:148822,CN(C)C(c1cc[nH]c1)C1CC(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1,NFNAXRLNXIWNJB-UHFFFAOYSA-N
-rxn:2:127912:76319,CCC(CCC(C)(F)F)NC(c1ccccc1)C(C)CN1CCCC(C)C1,JYLTUSUOLJYBOR-UHFFFAOYSA-N
-rxn:2:128951:143854,CCC(C(NCC(C)(C)C(F)(F)C1CCCCC1)c1ccccc1)n1nc(C)nc1C,BVLOTCZEYJURDA-UHFFFAOYSA-N
-rxn:2:129105:119617,CC1(C)CCN(Cc2ccccc2)C2CC(Nc3ccc(C#C[Si](C)(C)C)nc3)CC2C1,CABUBFJOHVGTQT-UHFFFAOYSA-N
-rxn:2:129417:169664,CC1(C)Cc2c(cnn2-c2ccc(C(C)(C)C)cc2)C(NC2C3CCCC(F)(F)C32)C1,GVTCJMYYHLXJTR-UHFFFAOYSA-N
-rxn:2:129599:134368,CC(CC1CCCc2ccccc21)NCC(C)(C)CN(C)C(C)C(C)(C)C,UKMGAWZTJLICJF-UHFFFAOYSA-N
-rxn:2:129599:81921,CC(CCC1CCCc2ccccc21)NCC(C)(C)CN(C)C(C)C(C)(C)C,UZUMISBZOFRAPY-UHFFFAOYSA-N
-rxn:2:129802:153537,Cc1ccc(C)c(C(Nc2cncnc2OC2CCCCC2N(C)C)C(C)S(C)(=O)=O)c1,CECBYGJLMIOWRM-UHFFFAOYSA-N
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-rxn:2:132258:130666,Cc1cccc(C(Nc2ccc(C3CCCN(C4CCCC4)C3)cc2)C(C)S(C)(=O)=O)c1,OLMJCYQYPYULAN-UHFFFAOYSA-N
-rxn:2:132258:132274,Cc1cccc(C(Nc2cc(C)cc(N3CCN(C4COC4)CC3)c2)C(C)S(C)(=O)=O)c1,RRYPJQSARFWJLT-UHFFFAOYSA-N
-rxn:2:132258:133714,Cc1cccc(C(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)C(C)S(C)(=O)=O)c1,AZJVOBBDHHXXPD-UHFFFAOYSA-N
-rxn:2:132258:136167,CCc1nc(N2CCC(NC(c3cccc(C)c3)C(C)S(C)(=O)=O)CC2)nc2c1CCO2,BLXXTYFFVBSQJT-UHFFFAOYSA-N
-rxn:2:132258:137660,Cc1cccc(C(NCc2c(C3CCCN(C)C3)nc3n2CCCC3)C(C)S(C)(=O)=O)c1,WMQKATFZAAWSCT-UHFFFAOYSA-N
-rxn:2:132258:141460,Cc1cccc(C(NCc2nc(C3CCN(C)CC3)n3c2CCCC3)C(C)S(C)(=O)=O)c1,HCIGHXLKRUNKQZ-UHFFFAOYSA-N
-rxn:2:132722:154346,Cc1cccc(N2CCCN(C)CC2CNC(c2cccc(S(C)(=O)=O)c2)C2(C)CC2)c1,VZMSDCUYGZEBJD-UHFFFAOYSA-N
-rxn:2:132804:137718,CC(NC1CC(C)(C)CC1(C)C)c1ccc(N2C3CCCC2CC3)cc1,AKZTVXIRCZDYQS-UHFFFAOYSA-N
-rxn:2:133714:149518,CC(Nc1ccc(N2CCC(N3CCCC3)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)cc1,JKGXEWNBSIJAHY-UHFFFAOYSA-N
-rxn:2:134124:163743,CC1CN(C(CNC(c2cccc(S(C)(=O)=O)c2)C2CCC2)c2cccnc2)CCN1C,QMKNWLCGUVAHAI-UHFFFAOYSA-N
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-rxn:2:134683:125697,Cc1ccccc1C(CN1CCC(C)(C)CC1)NCC1C(c2c(C)nn(C)c2C)C1(F)F,NINJLJGWFHPLCJ-UHFFFAOYSA-N
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-rxn:2:93884:136559,CCC(NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCC(F)C2)cc1,UNFSEZANVJVLTL-UHFFFAOYSA-N
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-rxn:2:94667:160422,CCN1CCN(c2cc(C)c(C(C)NC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)cn2)CC1,DKDQKYSIFZOIHI-UHFFFAOYSA-N
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-rxn:2:95491:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCC2CCC(F)(F)CC2)cc1,GSJOQSNDCKWJBD-UHFFFAOYSA-N
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-rxn:2:80088:141890,Cc1cc(NC(CC2=NCCO2)c2ccc3c(c2)OCO3)cnc1N1CCS(=O)(=O)CC1,RYOKNVFWLYNAET-UHFFFAOYSA-N
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-rxn:2:80181:148296,CC(NC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1)C(c1ccsc1)N1CCCCC1,DQFRPAWLCYHFOX-UHFFFAOYSA-N
-rxn:2:80181:148822,CC(NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)C(c1ccsc1)N1CCCCC1,DBYAFZPZTNGVPP-UHFFFAOYSA-N
-rxn:2:81015:118714,CCC(NCCN1CCC(S(C)(=O)=O)CC1)c1ccc(N2CC[C@H](F)C2)cc1,XNIXUDUVINYTNU-YMXDCFFPSA-N
-rxn:2:81186:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC(c2ccccn2)C2CCCCCC2)cc1,PJIHDWCSWSJFER-UHFFFAOYSA-N
-rxn:2:81502:148822,CC1CCC(C(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)c2cccs2)CC1,ITNOWPJLWZIRKO-UHFFFAOYSA-N
-rxn:2:81872:140699,CCCC(CS(=O)(=O)F)NC1(c2ccc3c(c2)OCCCO3)CCOCC1,VISPIHSXGGGBIM-UHFFFAOYSA-N
-rxn:2:81883:106970,Cc1cccc(C(NC2CCN(c3cc(N4CCCC4)ncn3)CC2)C(C)S(C)(=O)=O)c1,FBWALYGDYZGTSJ-UHFFFAOYSA-N
-rxn:2:81883:113124,Cc1cccc(C(NC2CCN(c3cc(N4CCCCCC4)ncn3)C2)C(C)S(C)(=O)=O)c1,XVYGFFUWJBGBQS-UHFFFAOYSA-N
-rxn:2:82346:145532,CC(NCC1CN(C)CC12CCS(=O)(=O)CC2)c1csc(-c2ccnc(N3CCOCC3)c2)c1,LRFYYKFMBBVYJM-UHFFFAOYSA-N
-rxn:2:82346:146096,CN1CC(CNC2COc3ccc(-c4ccc(N5CCCC5)nc4)cc32)C2(CCS(=O)(=O)CC2)C1,OTFMJBGRULYBJX-UHFFFAOYSA-N
-rxn:2:82346:155514,CN1CC(CNC2CCc3ccc(-c4cncc(N5CCOCC5)n4)cc32)C2(CCS(=O)(=O)CC2)C1,GPWNGXNCHUEZJI-UHFFFAOYSA-N
-rxn:2:82346:156087,CC(NCC1CN(C)CC12CCS(=O)(=O)CC2)c1csc(-c2cnc(N3CCCCC3)nc2)c1,VLDCTGPDTORYGK-UHFFFAOYSA-N
-rxn:2:82346:159295,CN1CC(CNC(c2ccncc2)c2nc3c(s2)COCC3)C2(CCS(=O)(=O)CC2)C1,MIPLRIQAHFNNIC-UHFFFAOYSA-N
-rxn:2:82346:162061,CC(NCC1CN(C)CC12CCS(=O)(=O)CC2)c1ccnc(-c2cnc(N3CCCCC3)nc2)c1,YOBACJKAUMXYBO-UHFFFAOYSA-N
-rxn:2:82346:171256,CC(NCC1CN(C)CC12CCS(=O)(=O)CC2)c1cnc(-c2ccc(N3CCCCC3)cc2)s1,DZBICVVHSGWMBY-UHFFFAOYSA-N
-rxn:2:82346:173058,Cc1cc(C(NCC2CN(C)CC23CCS(=O)(=O)CC3)c2ccccc2)cnc1N1CCCCCC1,FAFLUEFRJYILSN-UHFFFAOYSA-N
-rxn:2:82346:74137,CCC(NCC1CN(C)CC12CCS(=O)(=O)CC2)c1ccc(N2CCOCC2)nc1,XMOXOPBUQZSVDX-UHFFFAOYSA-N
-rxn:2:82346:81780,CC(CCCOc1ccccc1)NCC1CN(C)CC12CCS(=O)(=O)CC2,VNFFMZVPSYFYMY-UHFFFAOYSA-N
-rxn:2:82615:152487,COc1cc(C)c(C)cc1C(CC1=NCCO1)Nc1ccc(N2CCS(=O)(=O)CC2)cc1,WRWWCFSGJPYIMK-UHFFFAOYSA-N
-rxn:2:83103:153537,Cc1ccc(C)c(C(NC2(c3nc4c(s3)CCC4)CCN(C3CC3)C2)C(C)S(C)(=O)=O)c1,OWBXRGPBNYZUHY-UHFFFAOYSA-N
-rxn:2:83367:121598,CCC(CNC(c1cccc(S(C)(=O)=O)c1)C1CC1)N1CCC(C)CC1,HNHUANQPXOCCBM-UHFFFAOYSA-N
-rxn:2:83367:90147,CCC(CNC(c1ccc(S(=O)(=O)F)cc1)C1CC1)N1CCC(C)CC1,MHNLDFGWZSWQRE-UHFFFAOYSA-N
-rxn:2:84167:149479,Cc1ccnc(N2CCC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccc(C)cc43)CC2)c1,LPLHIYCLCYQLLD-UHFFFAOYSA-N
-rxn:2:84167:158184,Cc1ccnc(N2CCC(NC3CC4(CCS(=O)(=O)CC4)Oc4cc(C)ccc43)CC2)c1,OZOWEPKFFAMSOI-UHFFFAOYSA-N
-rxn:2:84397:167315,CC1(NC(Cc2ccc(S(C)(=O)=O)cc2)c2cccnc2)CCCN(C2CCCCC2)C1,NSMLUFPLKUUYBC-UHFFFAOYSA-N
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-rxn:2:85101:118720,Cc1cc(C)c(NC(c2ccc(CN3CCCCC3)cc2)C2CCCC2)c(S(=O)(=O)[O-])c1,JEDCTVDBNABYKX-UHFFFAOYSA-M
-rxn:2:85101:85399,Cc1cc(C)c(NC(c2ccc(CN3CCCC3)cc2)C2CCCCC2)c(S(=O)(=O)[O-])c1,AVBIEWLKNQNWDJ-UHFFFAOYSA-M
-rxn:2:85174:84782,CCCC(NC1CCS(=O)(=O)c2c(C)cccc21)C1CCN(C2CCCC2)CC1,IJMPKFVIRGJACG-UHFFFAOYSA-N
-rxn:2:85354:163743,CCC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)C(c1cccnc1)N1CCCCC1,KTAXMEKRRQTWHO-UHFFFAOYSA-N
-rxn:2:85476:158184,Cc1ccc2c(c1)OC1(CCS(=O)(=O)CC1)CC2Nc1c(C2CCCO2)cc2n1CCCC2,KQZMEIFSACTGKM-UHFFFAOYSA-N
-rxn:2:85575:138583,Cc1cc(C)c(C(CC2=NCCO2)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1C,UUZKXXOPVUROLZ-UHFFFAOYSA-N
-rxn:2:85884:100224,CC(C)N1CCCc2ccc(C(NCC3(n4ccnn4)CCS(=O)(=O)CC3)C3CC3)cc21,WFJOLCCHLPLMBU-UHFFFAOYSA-N
-rxn:2:86148:163743,CC(c1ccc(NC(c2cccc(S(C)(=O)=O)c2)C2CCC2)cc1)N1CCN(C2CC2)CC1,SMWRJZJOOCOYMS-UHFFFAOYSA-N
-rxn:2:86231:110503,CCC(Nc1ccc(CS(=O)(=O)C(C)CC)cc1)C1CCN(C(C)C)CC1,ONQIMUWLHLWMHX-UHFFFAOYSA-N
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-rxn:2:118191:140699,CCCC(CS(=O)(=O)F)Nc1cc(OC)ccc1N1CCN(CC)CC1,CKTITRHGKDUXJS-UHFFFAOYSA-N
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-rxn:2:91564:143973,CN1CCCC(CCc2ccccn2)(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,RXGLWABHJPJLAC-UHFFFAOYSA-N
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-rxn:2:92290:79791,CSc1ccc(C(CS(C)(=O)=O)NC(C)(C)CN2CCC(F)CC2)cc1,GRJPYLKICZIOML-UHFFFAOYSA-N
-rxn:2:92295:84001,CCS(=O)(=O)c1cc(NC(CN2CC(C)CC(C)C2)c2cc(C)[nH]c2C)cc(OC)c1,LBNIMOADANYWEQ-UHFFFAOYSA-N
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-rxn:2:93494:108536,CCc1cc(N2CCC(NC(c3cccc(C)c3)C(CC)S(C)(=O)=O)C2)nc(C2CC2)n1,MLFDPTZOMGZYHH-UHFFFAOYSA-N
-rxn:2:93553:134826,CC12CCC(c3sc(NC4CC5CCC(C4)N5c4ccc5c(c4)OCO5)nc31)C2(C)C,WUHONEROYAAIDJ-UHFFFAOYSA-N
-rxn:2:93566:124617,CCC(CC)C(N[C@@H](CC1CC1)c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1,ISGNPUKEBNFAMT-ZZHFZYNASA-N
-rxn:2:93627:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1,FHFRDPBAKBCCPY-JWIMYKKASA-N
-rxn:2:94001:132258,Cc1cccc(C(NCCc2c(C3CCC3)n[nH]c2C2CCCC2)C(C)S(C)(=O)=O)c1,PFJSBYWPNPAPQY-UHFFFAOYSA-N
-rxn:2:94580:75568,CC(CCc1nc(C2CCN(C)C2)c[nH]1)NC(c1ccc2c(c1)OCCO2)C(C)CN(C)C,BZPXNMGBPNDLOW-UHFFFAOYSA-N
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-rxn:2:95007:79791,CSc1ccc(C(CS(C)(=O)=O)NCC2(N(C)C)CCC(C)CC2)cc1,RRFVZEFAJPOLIA-UHFFFAOYSA-N
-rxn:2:95059:129526,CC(CCc1c2c(cc3c1OCCC3)OCCC2)NCCCc1cccc(S(C)(=O)=O)c1,XXXDLGHQQAIXOG-UHFFFAOYSA-N
-rxn:2:95260:153537,Cc1ccc(C)c(C(NC2CCCN(c3cc(C4CCCC4)ncn3)C2)C(C)S(C)(=O)=O)c1,KLIOHFRVFQVVEM-UHFFFAOYSA-N
-rxn:2:95592:155159,CN1CC2CC1CCC2Oc1ccc(CNC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)cc1,CYSYGZAIRWUADI-UHFFFAOYSA-N
-rxn:2:95607:140080,CC(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1,VQGSOHGBARUPBC-UHFFFAOYSA-N
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-rxn:2:97276:153537,Cc1ccc(C)c(C(NC2(c3nc4c(s3)CCCC4)CCCCC2)C(C)S(C)(=O)=O)c1,FWLYOPCWNCBTOA-UHFFFAOYSA-N
-rxn:2:97476:113689,CC(C)(C)c1ccc(C2(NC(CCC3CCCC3)C(C)(C)C)CCC2)cc1,XLQWAYIPUBJXAN-UHFFFAOYSA-N
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-rxn:2:98055:126600,Cc1ccc(C(C)Nc2nc(C)[nH]c2N2CCN(CC3CC3)CC2)c(OS(=O)(=O)F)c1,SUFHYPDKGCYUBE-UHFFFAOYSA-N
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-rxn:2:107703:111601,COc1ccc(C(CS(C)(=O)=O)NC2(C(C)C)CCC(F)(F)CC2)cc1,QYYMEADAEHNVGX-UHFFFAOYSA-N
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-rxn:2:108045:153537,Cc1ccc(C)c(C(NCC2CC2c2cccc(N3CCCCC3)c2)C(C)S(C)(=O)=O)c1,HBUBCEPCERPKAZ-UHFFFAOYSA-N
-rxn:2:108284:144179,CC(NCC1CC(C)(C)Oc2ccc(C(C)(C)C)cc21)c1ccc(-c2ccc(C3CC3)nc2)c2c1OCO2,LOKFRVKKXQKMJW-UHFFFAOYSA-N
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-rxn:2:111601:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NC1(C(C)C)CCC(F)(F)CC1,PDQWDIMHYNUSOS-UHFFFAOYSA-N
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-rxn:2:113796:149822,CCC(NC1CCN(c2nc(=O)n(C)c(=O)[nH]2)CC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,IZWRNICGMDINAG-UHFFFAOYSA-N
-rxn:2:114349:121598,CN1CC(CCNC(c2cccc(S(C)(=O)=O)c2)C2CC2)N(C)CC(C)(C)C1,LPAKFWFBNHCUDC-UHFFFAOYSA-N
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-rxn:2:114642:134695,CCS(=O)(=O)OC[C@H]1CCC(NCc2ccc(S(F)(F)(F)(F)F)cc2)C1,FWWNKBHXFQYIBR-LSLKUGRBSA-N
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-rxn:2:115465:81863,CC(NCC1C(c2cccc3c2OCO3)C1(F)F)SCCCCc1ccc2c(c1)OCCC2=O,DRENALOXSSIRJE-UHFFFAOYSA-N
-rxn:2:115504:148294,CN1CCN(c2cc3c(cc2NC(c2cccc(S(C)(=O)=O)c2)C(C)(C)C)OCO3)CC1,IVGZAECXWYETER-UHFFFAOYSA-N
-rxn:2:115617:120331,CCCCCC(NC1c2ccccc2CC1CCC(C)(C)C)C1=NCCCC1,SZRUJASYGYNXLK-UHFFFAOYSA-N
-rxn:2:115721:120619,CC(C)N1CCN(C(C)(C)CNC2OC(=O)c3ccccc3C2=O)CC1,XOHMFYXHXPZNEI-UHFFFAOYSA-N
-rxn:2:115913:129206,CCC(C)C(NC(C#CN(C)C)c1ccc(OC(C)C)cc1)c1nc(C2CC2)nn1C,IBBSDLZXBIANOZ-UHFFFAOYSA-N
-rxn:2:115974:149518,CCN1CCC(CNC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)(c2cccnc2)CC1,POTIJMFXRLYNLS-UHFFFAOYSA-N
-rxn:2:116099:149518,CC(Nc1c(S(C)(=O)=O)cnn1CCN(C)C)c1ccc(N2CCS(=O)(=O)CC2)cc1,XXHCPJSPTCRROR-UHFFFAOYSA-N
-rxn:2:116099:168851,CCc1ccc(OC)c(C(C#CN2CCCC2)Nc2c(S(C)(=O)=O)cnn2CCN(C)C)c1,REHFNVLMSNIHOD-UHFFFAOYSA-N
-rxn:2:116682:137213,CCC(NCc1cn(C2CCC2S(C)(=O)=O)nn1)c1ccc(N2CCN(C)CC2)cc1,KZDIVMMYLZOOJT-UHFFFAOYSA-N
-rxn:2:117659:79791,CSc1ccc(C(CS(C)(=O)=O)NCC(C)(C)CN2CCN(C)CC2)cc1,ADBKOGGSEQCYEX-UHFFFAOYSA-N
-rxn:2:117797:135476,CCC(CNC(c1ccc2c(c1)OC(C)CC(C)O2)C1CC1)S(C)(=O)=O,LAOGZBHCQAVLHW-UHFFFAOYSA-N
-rxn:2:117797:168851,CCc1ccc(OC)c(C(C#CN2CCCC2)NCC(CC)S(C)(=O)=O)c1,MNDBSGPKIWOPSC-UHFFFAOYSA-N
-rxn:2:117843:122080,CC(CCS(=O)(=O)F)NC(C)(C)CCc1ccc(C2CCN(C)C2)cc1,CEOIWEOTWVPOML-UHFFFAOYSA-N
-rxn:2:118054:107304,CC(NCC1(N(C)C)CCC(F)(F)CC1)c1ccn(C2CCCC2)n1,XHFPCYTVQBMQMK-UHFFFAOYSA-N
-rxn:2:118688:79791,CCC(CNC(CS(C)(=O)=O)c1ccc(SC)cc1)N1CCN(C)CC1,HWPCGLNCEGKEJS-UHFFFAOYSA-N
-rxn:2:118714:106246,Cc1ccc(C(CC2=NCCO2)NCCN2CCC(S(C)(=O)=O)CC2)cc1C,JBKGHZAIHAMCIR-UHFFFAOYSA-N
-rxn:2:118714:170893,Cc1ccc(C(C)NCCN2CCC(S(C)(=O)=O)CC2)cc1-c1ccc(N2CCCCC2)nc1,ULWGEZYJSQNBSQ-UHFFFAOYSA-N
-rxn:2:118831:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cc(=O)n(C(=O)C4CCCCC4)o3)C2(F)F)c1,GJMBQLYWBPUZBY-UHFFFAOYSA-N
-rxn:2:119213:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(c4nc(=O)c(C)c(C)[nH]4)CCCC3)C2(F)F)c1,SZTJPYUVKZDDMK-UHFFFAOYSA-N
-rxn:2:119309:84145,CCC1(C)CC(NC2CC(C)N(Cc3ccccc3)CC2C)c2ccc3c(c2O1)OCO3,NOZBHEOXVAMPME-UHFFFAOYSA-N
-rxn:2:119408:120481,CCc1ccc(N2CCC(F)(F)C2)c(NCC(C2CCCC2)S(C)(=O)=O)c1,HDXJWZLLFNZKJQ-UHFFFAOYSA-N
-rxn:2:119483:134589,COc1cc(S(F)(F)(F)(F)F)ccc1NC1CC2CCCC(C1)S2(=O)=O,QIIOMQDZIBUWFZ-UHFFFAOYSA-N
-rxn:2:119584:78589,CC(C)C(CCS(=O)(=O)F)NCC#Cc1cccc(CN2CCN(C)CC2)c1,PHKSAYRVAMCZBT-UHFFFAOYSA-N
-rxn:2:120015:128727,CCCC(C#CN1CCN(C)CC1)Nc1ccc(C2(S(C)(=O)=O)CC2)nc1,PNBFOHCJEKRREI-UHFFFAOYSA-N
-rxn:2:120322:138583,Cc1cc(C)c(C(CC2=NCCO2)NCC2(CS(=O)(=O)F)CC2)cc1C,UXVBCXLJFKDUPO-UHFFFAOYSA-N
-rxn:2:120418:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2(C)CCN(c3ccc4c(c3)OCCO4)CC2)cn1,GYOVJLWWZSQFIS-UHFFFAOYSA-N
-rxn:2:120673:153537,Cc1ccc(C)c(C(Nc2ccc(N3CCN(C4COC4)CC3)cc2)C(C)S(C)(=O)=O)c1,YEQYUFHRXOSAKK-UHFFFAOYSA-N
-rxn:2:121314:145113,Cc1ccc(C(C)C)cc1C(C#CN1CCCCC1)NCc1c(S(C)(=O)=O)cnn1C,QLMFGXHVFLPUKE-UHFFFAOYSA-N
-rxn:2:122397:94440,CCC(NCC1C(C)N(C)c2ccccc2S1(=O)=O)c1ccc(N2CCN(C)CC2)nc1,NIGRAKAZAMFFGI-UHFFFAOYSA-N
-rxn:2:122673:150699,CCC1CCC(NCC2C(c3cnc4ccccn34)C2(F)F)C(CCC(C)(C)C)C1,GVOWEXVXABUPMR-UHFFFAOYSA-N
-rxn:2:122790:91773,CCc1ccc(C(CCN(C)C)Nc2cc(C3CCCC3)n(C(C)C(C)(C)C)n2)cc1,NSFXQMRMNKQVAB-UHFFFAOYSA-N
-rxn:2:123083:123811,Cc1cc(C(CN2CCCCCC2)NCC(F)(F)c2ccc(S(=O)(=O)F)cc2)c(C)n1C,XNRIJLDUOKODMP-UHFFFAOYSA-N
-rxn:2:123472:79791,CSc1ccc(C(CS(C)(=O)=O)NCC(C2CC2)N(C)C2CCN(C)CC2)cc1,FWDULABBJSOZEC-UHFFFAOYSA-N
-rxn:2:123491:98739,Cc1ccc(CSc2n[nH]c(NC(CCN3CCS(=O)(=O)CC3)C(C)(C)C)n2)c(C)c1,WGSGBZXHFMDKJV-UHFFFAOYSA-N
-rxn:2:123875:137213,CCC(NCC1C(c2ccc(OC)nc2OC)C1(F)F)c1ccc(N2CCN(C)CC2)cc1,KEHINBQIDIDLMY-UHFFFAOYSA-N
-rxn:2:124961:79351,CC(NC(C)(c1noc(C2CC2)n1)C1CCCCC1)c1ccc(S(=O)(=O)C2CC2)cc1,KDEHCLFYUCJCPG-UHFFFAOYSA-N
-rxn:2:125217:148822,CS(=O)(=O)c1ccc(C(NC2CCN(c3ccnc(C4CC4)n3)C2)C2CCCCC2)cc1,CSUBNIHCCWNHNA-UHFFFAOYSA-N
-rxn:2:125295:100186,CC(CNC1CC(CS(=O)(=O)F)C1)Cc1ccc(C2CCCN(C)C2)cc1,NRUHSZVZDWRLEX-UHFFFAOYSA-N
-rxn:2:125295:117412,CC(NC1CC(CS(=O)(=O)F)C1)c1ccc(N2CCC(F)(F)CC2)cc1,JTCAOIVUOFVLPL-UHFFFAOYSA-N
-rxn:2:125471:170231,Cn1cc(C(NCc2cccc(N3CCC(C(C)(C)C)CC3)n2)C2CCC2)c2cc(C(C)(C)C)ccc21,AEGBTUZNPDQNAE-UHFFFAOYSA-N
-rxn:2:125519:78589,CC(C)C(CCS(=O)(=O)F)NC(C)(C)CN1CCN(c2ccccn2)CC1,NAQOKOPOPVIWFC-UHFFFAOYSA-N
-rxn:2:125748:137213,CCC(Nc1c(S(C)(=O)=O)cnn1CC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1,RANPVVWAQJCDKZ-UHFFFAOYSA-N
-rxn:2:125748:137294,CCC(Nc1c(S(C)(=O)=O)cnn1CC(C)(C)C)c1ccc(N2CCC(F)CC2)cc1,KKIGCYUIZUBQAT-UHFFFAOYSA-N
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-rxn:2:138911:164359,CCN1CCS(=O)(=O)C(CNC(C)c2ccnc(-c3ccc(N4CCOCC4)nc3)c2)C1,MIYNLRJXUGJXOO-UHFFFAOYSA-N
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-rxn:2:139129:151416,CS(=O)(=O)c1ccc(CC2CCC(NCc3nccc(N4CCC(F)CC4)n3)CC2)cc1,NOKOWSWEFVUMQH-UHFFFAOYSA-N
-rxn:2:139290:94593,CCN1CCC2(CC1)CC(NC(c1ccc(S(C)(=O)=O)cc1)C(C)C)C2,XNSJCBZVFBIUSF-UHFFFAOYSA-N
-rxn:2:139373:160854,COc1ccc(S(=O)(=O)F)cc1NC(C)c1cc2c(n(CCC(C)C)c1=O)CCN(C)C2,JUDUWXXYXJYTCX-UHFFFAOYSA-N
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-rxn:2:141552:153537,Cc1ccc(C)c(C(Nc2cncnc2OC2CCC(N(C)C)CC2)C(C)S(C)(=O)=O)c1,ACAQPERZWBKWNV-UHFFFAOYSA-N
-rxn:2:141664:122080,CC1CCN(Cc2ccc(C#CCNC(C)CCS(=O)(=O)F)cc2)CC1,AWBYRHAELXUCHP-UHFFFAOYSA-N
-rxn:2:141890:118209,CCCN1CCOc2ccc(C(CC)Nc3cnc(N4CCS(=O)(=O)CC4)c(C)c3)cc21,MXIRQEIQBGHALY-UHFFFAOYSA-N
-rxn:2:141890:152487,COc1cc(C)c(C)cc1C(CC1=NCCO1)Nc1cnc(N2CCS(=O)(=O)CC2)c(C)c1,MPXCODOOKDECNE-UHFFFAOYSA-N
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-rxn:2:158390:171477,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCCC2NCCC1C(c2n[nH]c3ncccc23)C1(F)F,GAJKUCAOBFZZDH-UHFFFAOYSA-N
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-rxn:2:161571:121581,CCCN1CCCc2ccc(C(CC)Nc3ccn(C4CC4)c(=O)c3S(=O)(=O)CC)cc21,KFXLRHLAYYBLHZ-UHFFFAOYSA-N
-rxn:2:161571:142768,CCS(=O)(=O)c1c(NC(C#CN2CCCC2)c2cc(C(C)C)ccc2C)ccn(C2CC2)c1=O,HYZVFKIXZVLXAR-UHFFFAOYSA-N
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-rxn:2:79123:144460,CCc1ccc(N2CCCC(F)(F)C2)c(NC(CC)c2cccc(C3C(CSC(C)=O)C3(F)F)c2)c1,NZCXVMKKOSPTPJ-UHFFFAOYSA-N
-rxn:2:79460:116126,CC(C)N(CCNC(CS(C)(=O)=O)c1ccncc1)C1CCN(C)CC1,HAPLTDXVANTIAU-UHFFFAOYSA-N
-rxn:2:79511:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCc2c(C3CCC3)n[nH]c2C2CCC2)cc1,FLGRIKVMPJRZLL-UHFFFAOYSA-N
-rxn:2:79709:86388,CC(C)c1ccc2c(c1)C(CCNC1CCc3ccc(CC(C)(C)C)cc31)CC(C)(C)O2,NVLGOZQLEBMQDD-UHFFFAOYSA-N
-rxn:2:79774:128441,CCN1CCN(c2ccc(CCNC(CCS(=O)(=O)F)C3CC3)cc2)CC1,FKZQOYPTJRGCGD-UHFFFAOYSA-N
-rxn:2:79791:91291,CSc1ccc(C(CS(C)(=O)=O)NCC2(C(C)C)CCN(C)CC2)cc1,BUSUWQMBNFUQDX-UHFFFAOYSA-N
-rxn:2:79966:78589,CC(C)C(CCS(=O)(=O)F)NC1(c2nccc(C3CCCN(C)C3)n2)CC1,ULSHQGFWCJZHFZ-UHFFFAOYSA-N
-rxn:2:80054:148296,CC(CNC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1)CN1CCCN(c2ccncc2)CC1,HYUBQPKQYHGLOJ-UHFFFAOYSA-N
-rxn:2:80065:126600,Cc1ccc(C(C)NCCN(C)C2CCS(=O)(=O)C2)c(OS(=O)(=O)F)c1,ZHXRJEUIKUUBKL-UHFFFAOYSA-N
-rxn:2:80192:147241,CC(NCN(C)Cc1ccc2c(c1)CCCS2)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,PCGDZOKIYFCQLR-UHFFFAOYSA-N
-rxn:2:80271:147241,CC[C@H](NC(C)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1)c1cccc(OC2CCCC2)c1,OFKDADQZOPUNCN-UTNNEMCSSA-N
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-rxn:2:81789:147241,CCC[C@@H](NC(C)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1)c1ccc(N2CCCCC2)cc1,JNWLTOUPDYWJPL-XVRNTPGASA-N
-rxn:2:81919:148103,COc1ccc(-c2cnn(S(C)(=O)=O)c2)c(C(C)NCCC#CCN2CCCCC2)c1,BKKNLLIMZSLJOR-UHFFFAOYSA-N
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-rxn:2:82459:116009,CCC(C)c1ccc(C(Nc2ccc(OCC(C)(F)F)c(C3CC3)c2)C2CCOC2)cc1,FQWIVGQZILPYCN-UHFFFAOYSA-N
-rxn:2:82488:92290,CCCC(NC(C)(C)CN1CCC(F)CC1)c1cccc(S(=O)(=O)CC)c1,CXIRBZITZIMCMF-UHFFFAOYSA-N
-rxn:2:82615:161891,Cc1ccc(C)c(C(C#CN2CCN(C)CC2)Nc2ccc(N3CCS(=O)(=O)CC3)cc2)c1,NIOMYEHUTGBYKO-UHFFFAOYSA-N
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-rxn:2:84213:122808,CCCC(NCC#CCN1CCC(F)CC1)c1ccc(S(C)(=O)=O)cc1,CMZILRXDOKDION-UHFFFAOYSA-N
-rxn:2:84213:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCC#CCN2CCC(F)CC2)cc1,YYIJKHUCXMMUFN-UHFFFAOYSA-N
-rxn:2:84213:95855,CCC(NCC#CCN1CCC(F)CC1)c1ccc(CS(C)(=O)=O)cc1,OHNNDSOQLJRUCO-UHFFFAOYSA-N
-rxn:2:84217:94440,CCC(NCC(C)(C)CS(=O)(=O)F)c1ccc(N2CCN(C)CC2)nc1,ARFWVLGXWTZDDN-UHFFFAOYSA-N
-rxn:2:84227:91190,CC(C)Oc1ccc(NC(C2=NCCC2)C(C)(C)C)cc1CS(C)(=O)=O,HJTNVVDILOKLIF-UHFFFAOYSA-N
-rxn:2:84561:103458,CC(C)c1ccc(N2CC(NCc3cccc(N4CCS(=O)(=O)CC4)n3)CC2(C)C)cc1,DDNFJUCEYGZJKE-UHFFFAOYSA-N
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-rxn:2:124990:129475,COc1ccc(C(C)Nc2c(C)c(C(C)(C)S(C)(=O)=O)nn2C)cc1OC1CCCC1,AWTZGBPKPZDMSV-UHFFFAOYSA-N
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-rxn:2:125471:162583,CC(C)(C)C1CCN(c2cccc(CNC(c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)C3CC3)n2)CC1,JTVMLOVCLDQKPG-UHFFFAOYSA-N
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-rxn:2:125763:137213,CCc1c(C(C)(C)S(C)(=O)=O)n[nH]c1NC(CC)c1ccc(N2CCN(C)CC2)cc1,IIAQZTZDZZWPSY-UHFFFAOYSA-N
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-rxn:2:128727:152385,Cc1c(OC(Nc2ccc(C3(S(C)(=O)=O)CC3)nc2)C(C)(C)C)ccc2c1OCCCC2=O,UBMRXSGLRNUNIS-UHFFFAOYSA-N
-rxn:2:128727:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2ccc(C3(S(C)(=O)=O)CC3)nc2)CC1,ZBYMREZULMZGHU-UHFFFAOYSA-N
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-rxn:2:129395:126600,CCC(NC(C)c1ccc(C)cc1OS(=O)(=O)F)c1cnc(N2CCN(C)CC2)c(C)c1,LIRICZMEKRSPAZ-UHFFFAOYSA-N
-rxn:2:129395:162583,CCC(NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1)c1cnc(N2CCN(C)CC2)c(C)c1,SUGKGWGUBUEDHX-UHFFFAOYSA-N
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-rxn:2:129706:103107,CCC(Nc1[nH]nc(C2CCCC2)c1S(C)(=O)=O)c1cnc(N2CCN(C)CC2)c(C)c1,HJTQWGZLVVTMLX-UHFFFAOYSA-N
-rxn:2:129951:162583,Cc1cc(C2CCCN(C)C2)nc(C2(NC(c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)C3CC3)CC2)n1,HUEORIFWJBYEFW-UHFFFAOYSA-N
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-rxn:2:135982:148822,Cc1ccc(OC2CCC(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)CC2)cc1,HHPHFKWFBDGSBG-UHFFFAOYSA-N
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-rxn:2:127703:122248,CCCN1CCCOc2ccc(C(C)NCC3CS(=O)(=O)CCN3C)cc21,NJAWEYUDEPBLHT-UHFFFAOYSA-N
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-rxn:2:128727:147291,CN1CCN(CCC(Nc2ccc(C3(S(C)(=O)=O)CC3)nc2)c2ccc3c(c2)OCCO3)CC1,IOIXBDGHALDRKU-UHFFFAOYSA-N
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-rxn:2:128727:159330,Cc1cc2c(cc1OC(Nc1ccc(C3(S(C)(=O)=O)CC3)nc1)C(C)(C)C)OCCCC2=O,OZFAMTJTCDRAAW-UHFFFAOYSA-N
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-rxn:2:129503:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3nc(=O)nc(C4CCOCC4)[nH]3)C2(F)F)nc1,APHDRWUMMAQRBL-UHFFFAOYSA-N
-rxn:2:129706:140579,Cc1cc(N2CCN(C)CC2)c(C)cc1C(C)Nc1[nH]nc(C2CCCC2)c1S(C)(=O)=O,SDPZUAYWDIJILG-UHFFFAOYSA-N
-rxn:2:129959:147051,CCc1cc(=O)[nH]c(N2CCC(NC(C#CN(C)C)c3cc(C(C)C)c(OC)cc3C)C2)n1,ARQLKSBAUMOROZ-UHFFFAOYSA-N
-rxn:2:129993:114712,CC(CCNC(c1ccc(CN2CCN(C)CC2)cc1)C1CC1)S(C)(=O)=O,FMALCTDAUYRSEG-UHFFFAOYSA-N
-rxn:2:130250:162580,CCC(Nc1ccc(N2CCN(CC)CC2)cn1)c1ccc(N2CCS(=O)(=O)CC2)nc1,IEULSHYMJSRLLD-UHFFFAOYSA-N
-rxn:2:130793:71125,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)Nc1ncnn1C1CCS(=O)(=O)CC1,PMUXFEPYLRJKHX-UHFFFAOYSA-N
-rxn:2:131073:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(N2CCC(F)(F)C2)cc1OC,WMUYZKYOZQILAG-UHFFFAOYSA-N
-rxn:2:131120:130972,CC(CCS(=O)(=O)c1ccc(C(C)C)cc1)Nc1cnc(OC2CCCN(C3CC3)C2)nc1,ZAGNNVJHMSKJJL-UHFFFAOYSA-N
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-rxn:2:131379:142768,Cc1ccc(C(C)C)cc1C(C#CN1CCCC1)Nc1cc(=O)[nH]n1C(C)C1CC1(F)F,DZRYKXBHTSOYJQ-UHFFFAOYSA-N
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-rxn:2:131379:161891,Cc1ccc(C)c(C(C#CN2CCN(C)CC2)Nc2cc(=O)[nH]n2C(C)C2CC2(F)F)c1,XAJIDMNEPHCRFP-UHFFFAOYSA-N
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-rxn:2:132917:126442,CCC(Nc1c(S(C)(=O)=O)cnn1C(C)C1CC1)c1cnc(N2CCCCCC2)c(C)c1,KBHGGZVLMLYTNL-UHFFFAOYSA-N
-rxn:2:133152:167512,Cc1cnn(C(C)C2CC2(F)F)c1NC(C)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,UCHSCRSUCUHPFF-UHFFFAOYSA-N
-rxn:2:133353:92408,CC(c1ccc(C(C)(C)C)cc1)N1CCC(NCc2ccc(S(=O)(=O)C3CC3)nc2)CC1,CMVMCJOJOLRBPI-UHFFFAOYSA-N
-rxn:2:133772:162580,CCC(Nc1ccc(N2CCN(CC(C)(C)C)CC2)cn1)c1ccc(N2CCS(=O)(=O)CC2)nc1,WSTCNHXJPLPOQD-UHFFFAOYSA-N
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-rxn:2:134443:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NC(C)C1CCC(F)(F)CC1,GTGPCFGYFLXKII-UHFFFAOYSA-N
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-rxn:2:134443:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(C)C1CCC(F)(F)CC1,CFTGRVHZEFVXMS-UHFFFAOYSA-N
-rxn:2:134654:144488,Cc1cc(S(C)(=O)=O)ccc1-c1cccc(C(C)NC2(c3nncn3C3CCCC3)CCCCCC2)n1,FAMIFNXZXOXUSP-UHFFFAOYSA-N
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-rxn:2:135186:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(OCC[Si](C)(C)C)nc1,IOYPLKRYOKXPQL-UHFFFAOYSA-N
-rxn:2:135267:159032,CC1CN(C)CC(CNC2CCOc3ccc(S(C)(=O)=O)cc32)N(Cc2ccncc2)C1,FDCHFJZFONSFOC-UHFFFAOYSA-N
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-rxn:2:79130:90081,CC(C)COc1cncc(N2CCC(NCc3csc(C4(S(C)(=O)=O)CC4)n3)CC2)c1,LUKPCPYFZLMNFN-UHFFFAOYSA-N
-rxn:2:79266:154180,CC1CN(C)CC(CNC2COc3cc(-c4cnn(S(C)(=O)=O)c4)ccc32)N(C2CC2)C1,IEXITLUFZKGUBQ-UHFFFAOYSA-N
-rxn:2:79351:126600,Cc1ccc(C(C)NC(C)(c2noc(C3CC3)n2)C2CCCCC2)c(OS(=O)(=O)F)c1,ZQWMZYMKCTXQDR-UHFFFAOYSA-N
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-rxn:2:79800:153325,CS(C)(=O)=NS(=O)(=O)CCNC1CCC(n2cc(-c3ccc(C4CC4)nc3)cn2)CC1,MQBNBWVKEPEGND-UHFFFAOYSA-N
-rxn:2:80014:92053,CCCC(NC(CS(C)(=O)=O)c1cccc(C)c1)C1CCN(C2CC2)C1,NEHDCJYCBADQBX-UHFFFAOYSA-N
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-rxn:2:85575:109970,CSc1nnc(C(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)(C)C)n1C1CC1,HAFZJRIPXUGZMB-UHFFFAOYSA-N
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-rxn:2:87110:77662,COC(CNc1cc(S(C)(=O)=O)ccc1OCC1CC1)C1CC(F)(F)C1,ADLIPHJRTCWPMV-UHFFFAOYSA-N
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-rxn:2:88248:141967,CC1(C)C(C[Si](C)(C)C)CC1Nc1c(S(C)(=O)=O)cnn1C1CCOCC1,WSRYURZMTLBDLQ-UHFFFAOYSA-N
-rxn:2:88568:71398,CCC(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1cnc(N2CCCCC2)c(C)c1,MKTLNUSHOBUUDF-UHFFFAOYSA-N
-rxn:2:88946:111376,CCN1CCC(Oc2ncc(NC(c3ccc(OC)cc3)C(C)S(=O)(=O)CC)cn2)CC1,IZQUGCQEWSNEED-UHFFFAOYSA-N
-rxn:2:89079:130972,CC(CCS(=O)(=O)c1ccc(C(C)C)cc1)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1,CFEVYRYWEBIOLA-UHFFFAOYSA-N
-rxn:2:89130:103666,CC(C)CSC(=N)C(F)(F)c1cncc(C(C)NC2CCCC(c3n[nH]c(=O)[nH]3)C2)c1,VCKQPFDGGNKHRP-UHFFFAOYSA-N
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-rxn:2:89818:133353,CC(c1ccc(C(C)(C)C)cc1)N1CCC(Nc2[nH]nc(C3CC3)c2S(C)(=O)=O)CC1,ZNWKHHJTFKUWGZ-UHFFFAOYSA-N
-rxn:2:89818:137022,CCC(Nc1[nH]nc(C2CC2)c1S(C)(=O)=O)c1cnc(N2CCN(C(C)C)CC2)c(C)c1,NUOFRICIKKZZNI-UHFFFAOYSA-N
-rxn:2:89818:145113,Cc1ccc(C(C)C)cc1C(C#CN1CCCCC1)Nc1[nH]nc(C2CC2)c1S(C)(=O)=O,ZKPAZIPTKSIJLO-UHFFFAOYSA-N
-rxn:2:90027:149518,Cc1cc(NC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)cnc1N1CCC(C)(C)CC1,XDEGXYKAEGOTIB-UHFFFAOYSA-N
-rxn:2:90081:100289,CC(C(NCc1csc(C2(S(C)(=O)=O)CC2)n1)c1ccc2c(c1)OCO2)N1CCCC1,KIGMOUZXGPZEOV-UHFFFAOYSA-N
-rxn:2:90081:91750,CCc1ccc(C(CN2CCN(C)CC2)NCc2csc(C3(S(C)(=O)=O)CC3)n2)cc1,CPJWRTPKBFBAEF-UHFFFAOYSA-N
-rxn:2:90147:107706,CC(C)C(CN1CCSCC1)NC(c1ccc(S(=O)(=O)F)cc1)C1CC1,GOUZPPOXTHEVRL-UHFFFAOYSA-N
-rxn:2:90297:70685,CCc1ccc(CCN2CCC(C)CC2)cc1NC1CC(S(=O)(=O)F)C1,VHWYGGLNPJXADD-UHFFFAOYSA-N
-rxn:2:90515:66282,CCC(Cc1ccc(OC)c(OC)c1)N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1,DNALLGPYDXMBRI-FHQBBSRKSA-N
-rxn:2:90902:164761,CC1(C)C(NCc2ccnc(N3CCS(=O)(=O)CC3)c2)CCCN1c1ccc2c(c1)OCCO2,HIWZZFLLDJEBRC-UHFFFAOYSA-N
-rxn:2:90902:84227,CC(C)(C)C(NCc1ccnc(N2CCS(=O)(=O)CC2)c1)C1=NCCC1,YMNUMJMWFNLGOI-UHFFFAOYSA-N
-rxn:2:90902:94440,CCC(NCc1ccnc(N2CCS(=O)(=O)CC2)c1)c1ccc(N2CCN(C)CC2)nc1,ZPCMJBUMJLFXIA-UHFFFAOYSA-N
-rxn:2:91291:107703,COc1ccc(C(CS(C)(=O)=O)NCC2(C(C)C)CCN(C)CC2)cc1,ZKRVXJZEEWCLHA-UHFFFAOYSA-N
-rxn:2:91462:70685,Cc1ccc(NC2CC(S(=O)(=O)F)C2)cc1OCCN1CCN(C)CC1,ZUUDIUXGUIVFNL-UHFFFAOYSA-N
-rxn:2:93238:148822,CC(C)N1CCCC1c1ccc(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)nc1,UZCYTQKEGAMPPS-UHFFFAOYSA-N
-rxn:2:93435:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NC1(C)CCC(F)(F)CC1,GXMOQXZQUXVKRB-UHFFFAOYSA-N
-rxn:2:93435:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC1(C)CCC(F)(F)CC1,DPSHXCLKUMQPCI-UHFFFAOYSA-N
-rxn:2:93459:107703,CCc1c(C2CC2)nn(C2CCN(C)CC2)c1NC(CS(C)(=O)=O)c1ccc(OC)cc1,PJYYGVHFAXEZMW-UHFFFAOYSA-N
-rxn:2:93884:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCC2(CS(C)(=O)=O)CC2)c1,RLEVKUKKZNQWHT-UHFFFAOYSA-N
-rxn:2:94070:107703,COc1ccc(C(CS(C)(=O)=O)NCC(c2ccc(C)cc2)N2CCCCCCC2)cc1,LDVVLAKZRAQWLU-UHFFFAOYSA-N
-rxn:2:94440:106138,CCC(NCCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCN(C)CC2)nc1,ZQMSFQBHKWKLKO-UHFFFAOYSA-N
-rxn:2:94440:124938,CCC(NCc1csc(C2(S(C)(=O)=O)CCC2)n1)c1ccc(N2CCN(C)CC2)nc1,NGDICLWINADWOS-UHFFFAOYSA-N
-rxn:2:94475:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NC(C)CN1CCC(F)(F)CC1,YEAIAMXEQWVRMJ-UHFFFAOYSA-N
-rxn:2:94580:141967,CC(CCc1nc(C2CCN(C)C2)c[nH]1)NC1CC(C[Si](C)(C)C)C1(C)C,LJZLIBMXXKTSCS-UHFFFAOYSA-N
-rxn:2:94810:107703,COc1ccc(C(CS(C)(=O)=O)NCCN2CCC(C(C)(F)F)CC2)cc1,APRUNASVAREGFM-UHFFFAOYSA-N
-rxn:2:95007:107703,COc1ccc(C(CS(C)(=O)=O)NCC2(N(C)C)CCC(C)CC2)cc1,JHMKGEQTKIIKNR-UHFFFAOYSA-N
-rxn:2:95700:149239,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(OC4CCC4)cc(=O)[nH]3)C2(F)F)c(C)c1,TXHUCUKGRZLCQC-UHFFFAOYSA-N
-rxn:2:96732:107703,COc1ccc(C(CS(C)(=O)=O)NCc2ccc(C)nc2N2CCN(C3CC3)CC2)cc1,UNCKZYAXWZMPCF-UHFFFAOYSA-N
-rxn:2:96732:152846,Cc1ccc(S(=O)(=O)n2cc(C)c(C(C)NCc3ccc(C)nc3N3CCN(C4CC4)CC3)c2C)cc1,RDOZDMDKSAJNTR-UHFFFAOYSA-N
-rxn:2:96810:117066,CC(NCC(F)(F)CN1CCSCC1C)c1ccc(OS(=O)(=O)[O-])cc1,UYPTUOGUKOSLRP-UHFFFAOYSA-M
-rxn:2:96858:141967,CC1(C)C(C[Si](C)(C)C)CC1Nc1ccc(N2CCC(F)(F)CC2)cc1,IQIBGMSQKYUUQD-UHFFFAOYSA-N
-rxn:2:96934:142773,COc1ccc2[nH]cc([C@@H](NC(C#C[Si](C)(C)C)C(C)(C)C)C3CCCC3)c2c1,WDEGSPGRTGYYQZ-CGAIIQECSA-N
-rxn:2:97662:103107,CCC(Nc1ccc2c(c1)N(CCS(C)(=O)=O)CC2)c1cnc(N2CCN(C)CC2)c(C)c1,USCMMETXUKMWEV-UHFFFAOYSA-N
-rxn:2:98093:107703,CCC(CC)N1CCC(NC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,PMCBBAWYHCJSBL-UHFFFAOYSA-N
-rxn:2:98093:133375,CCC(CC)N1CCC(NC(c2ccc(OC)cc2)C(C)S(C)(=O)=O)CC1,YSLINJUESJUHPG-UHFFFAOYSA-N
-rxn:2:98215:166169,CSc1nc(NC(C)SCC2C(c3ccc4c(c3)C(=O)CC4)C2(F)F)nc(N2CCOCC2)n1,MXRYAFSMNXIPPC-UHFFFAOYSA-N
-rxn:2:98219:126911,CN(C)C[C@H]1CC[C@@H](NC(CC(C)(C)C)C2CC2)CC1,WCLZYHXHJRLIHE-JGHJKYEYSA-N
-rxn:2:98257:151812,CC(C)C(CNC(CSc1n[nH]c(=O)[nH]c1=O)c1cccs1)CN1CCC(F)(F)CC1,VRYBXCRCDFZAPO-UHFFFAOYSA-N
-rxn:2:98257:159760,Cc1cc(C)cc(-n2nc(C(C)NCC(CN3CCC(F)(F)CC3)C(C)C)c(=O)[nH]c2=O)c1,MJRZHRBHDIEXGS-UHFFFAOYSA-N
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-rxn:2:98334:154346,CC(C)c1cc(NC(c2cccc(S(C)(=O)=O)c2)C2(C)CC2)nc(N2CCN(C)CC2)n1,LWHWDMFBGHGZHN-UHFFFAOYSA-N
-rxn:2:98725:161072,CCCN1CCN(c2ccc(OC)cc2NC(C)c2ccc(OC)c(CS(C)(=O)=O)c2)CC1,LIDAUYIYAUNESO-UHFFFAOYSA-N
-rxn:2:98725:89208,CCCN1CCN(c2ccc(OC)cc2NC(C)CCS(C)(=O)=O)CC1,LLBVVGFYMISWSV-UHFFFAOYSA-N
-rxn:2:98739:98109,CC1(c2ccc(NC(CCN3CCS(=O)(=O)CC3)C(C)(C)C)cc2)N=N1,KUVPVXWOYGQOAK-UHFFFAOYSA-N
-rxn:2:98744:71427,CCCC1(CN(C)C)CCC(Nc2ccc(C(C)(C)S(C)(=O)=O)nc2)CC1,FAEAIBZJGMVYES-UHFFFAOYSA-N
-rxn:2:98822:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCC1(F)CCC(F)(F)CC1,UXAVTWBEZHQDNV-UHFFFAOYSA-N
-rxn:2:98901:138789,CC(C)(CCNC(c1ccc(CN2CCSCC2)cc1)C1CCC1)CS(C)(=O)=O,XIEHVSFZHKKWAS-UHFFFAOYSA-N
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-rxn:2:141894:107703,COc1ccc(C(CS(C)(=O)=O)NCC(c2cccc(OC)c2)N2CCN(C)CC2)cc1,AHMUHMRHVSWKRN-UHFFFAOYSA-N
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-rxn:2:163743:132002,CN1CCC(C2CC(NC(c3cccc(S(C)(=O)=O)c3)C3CCC3)C2)CC1,QOSRJGIIVCWXCA-UHFFFAOYSA-N
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-rxn:2:168415:141967,CN1CCC(NC2CC(C[Si](C)(C)C)C2(C)C)CC1c1cn(C)c2ncccc12,FVDZIZWNXWKHDC-UHFFFAOYSA-N
-rxn:2:65942:148296,CC1CCC(C(Cc2ccsc2)NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,KOUQEVPVEMREPY-UHFFFAOYSA-N
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-rxn:2:66776:115085,Cc1cc(C)c(S(=O)(=O)[O-])cc1NC1CCC(C2(C(C)(C)C)COC2)CC1,NSFUJKMBEJZFKX-UHFFFAOYSA-M
-rxn:2:67015:72127,CC(NC1CCC(C2CCC2)CC1)C1CN(C)CCN1C,KVZWNDMMQHAURK-UHFFFAOYSA-N
-rxn:2:67380:113425,CC1C(NC2CCC3(CC2)CCN(C)CC3)CC1(C)C,UIKHKTWOZPZKDM-UHFFFAOYSA-N
-rxn:2:67380:126726,CC1CC(NC2CCC3(CC2)CCN(C)CC3)C1(C)C,PHVAUQDZXCAQHB-UHFFFAOYSA-N
-rxn:2:67569:102821,CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC1CCCCCCCC1,VGQHGRDNZHPIJQ-KLHDSHLOSA-N
-rxn:2:67569:72127,CC(NC1CCCCCCCC1)C1CN(C)CCN1C,KJASWTWSVVGKOF-UHFFFAOYSA-N
-rxn:2:67779:107703,COc1ccc(C(CS(C)(=O)=O)Nc2ccc(N3CCN(C)CC3)cc2OC(C)C)cc1,BOOJSJVIQGKNIT-UHFFFAOYSA-N
-rxn:2:68552:120539,C[Si](C)(C)C#CC1CCC(NCCn2nc(C3CC3)cc2C2CC2)C1,YOHYMNJLQBULIW-UHFFFAOYSA-N
-rxn:2:68708:102821,COC1CCCC(N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3OC)CC1,PAXNKDIYJYFNRO-VQWKSAMMSA-N
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-rxn:2:70475:129658,CC(C)[Si](C)(C)NC1CCCCCCCCCCCCC1,QBBFUMGHXSYZRJ-UHFFFAOYSA-N
-rxn:2:70685:110530,Cc1cccc(C(CNC2CC(S(=O)(=O)F)C2)N2CCC(C)(C)CC2)c1,UMLNJRXSNJJAOV-UHFFFAOYSA-N
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-rxn:2:70685:141894,COc1cccc(C(CNC2CC(S(=O)(=O)F)C2)N2CCN(C)CC2)c1,KDMVOXGDHXUSDB-UHFFFAOYSA-N
-rxn:2:70685:75545,Cc1ccc(C)c(CCC2(NC3CC(S(=O)(=O)F)C3)CCN(C)CC2)c1,RSCPWMKHBVXBQC-UHFFFAOYSA-N
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-rxn:2:71174:97141,CCCC(NCC1(N(C)C)CCCC1)C1CCCCC1,HLFYOVPTSBJZEF-UHFFFAOYSA-N
-rxn:2:71427:113213,CN1CCN(Cc2ccccc2C(Nc2ccc(C(C)(C)S(C)(=O)=O)nc2)C2CC2)CC1,NGVOXQJKCKJRFP-UHFFFAOYSA-N
-rxn:2:71427:75372,CN1CCN(Cc2ccc(C(Nc3ccc(C(C)(C)S(C)(=O)=O)nc3)C3CCC3)cc2)CC1,CGEVZVQVMLMLIG-UHFFFAOYSA-N
-rxn:2:71969:120644,CCC(NC(C1CCCC1)N(C)C)C1CCCCCC1,ZKVVQOLAJGMPKV-UHFFFAOYSA-N
-rxn:2:72127:115515,CC(NC1CC2CCCCC2C1)C1CN(C)CCN1C,VQJHLBONEHGSDN-UHFFFAOYSA-N
-rxn:2:72127:116940,CC(NC1CCCCC12CCC2)C1CN(C)CCN1C,HTFPSOCKBOYIIM-UHFFFAOYSA-N
-rxn:2:72127:126228,CC(NC1CCC(C2COC2)CC1)C1CN(C)CCN1C,NRQBHHGXINJUNF-UHFFFAOYSA-N
-rxn:2:72127:129455,CC(NC1CC(C2CCCCC2)C1)C1CN(C)CCN1C,QNUIITXGOYWLMT-UHFFFAOYSA-N
-rxn:2:72127:139679,CC(NC1CCC(C2CC2)CC1)C1CN(C)CCN1C,BMLXVZZXTXZZOS-UHFFFAOYSA-N
-rxn:2:72127:88126,CC(NC1CCC2(CCS2)CC1)C1CN(C)CCN1C,GJRYAUUFSTWXAJ-UHFFFAOYSA-N
-rxn:2:72127:96396,CC(NC1CC(C2CCCC2)C1)C1CN(C)CCN1C,HGXTZBJAXSBSPD-UHFFFAOYSA-N
-rxn:2:72536:148822,CN1CCCCC1C(NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)c1ccccc1,ZSAIVPJYYUDUGD-UHFFFAOYSA-N
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-rxn:2:72878:148296,CN1CCCN(c2ccc(CNC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)cn2)CC1,JNTHMRWEDHYSTO-UHFFFAOYSA-N
-rxn:2:73401:139330,CCC1CCC(C2CCC(NC3CS(=O)(=O)Cc4ccccc43)CC2)CC1,ZZHDZSFTTYYHIP-UHFFFAOYSA-N
-rxn:2:73594:77267,CCc1ccc(N2CCC(F)(F)CC2)c(NC2CCC(S(C)(=O)=O)C2)c1,CMXKIUUBJYMEKQ-UHFFFAOYSA-N
-rxn:2:73781:149479,CCN1CCN(c2ccc(C)cc2NC2CC3(CCS(=O)(=O)CC3)Oc3ccc(C)cc32)CC1,BTVDQDAXBXUGAS-UHFFFAOYSA-N
-rxn:2:74173:107703,COc1ccc(C(CS(C)(=O)=O)NCc2ccc(N(C)C3CCN(C)CC3)c(C)c2)cc1,BHGMZBCJXWRRAD-UHFFFAOYSA-N
-rxn:2:74315:147241,CC(Nc1cn(C)nc1N1CCCCCC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,CJDDUFNOYODILM-UHFFFAOYSA-N
-rxn:2:74367:145721,Cc1cc(C(C)NCC2CCC(c3nc(C4CCCC4)no3)CC2)ccc1-c1cccc(S(C)(=O)=O)c1,JWVNDLBJDVSEKE-UHFFFAOYSA-N
-rxn:2:75620:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCCC(C)S(=O)(=O)F)c1,BGTKXUZUQPPQTQ-UHFFFAOYSA-N
-rxn:2:75657:148822,C[C@H]1[C@@H](NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CCCN1C,ORMADEVPLMJELG-SQWITBJMSA-N
-rxn:2:76140:102188,C[C@@H]1[C@H](NC2CCC(C3CCC(C)(C)CC3)CC2)CCN1C,AUQDMEPEMMFPRF-JVGQSUMCSA-N
-rxn:2:76140:102869,C[C@@H]1[C@H](NC2CCC(C3CCC(C)(C)CC3)CC2)CCCN1C,IEIFNOOVOKRNEQ-OYGLOCFBSA-N
-rxn:2:76140:122756,CC1(C)CCC(C2CCC(NC3CC[Si](C)(C)CC3)CC2)CC1,FRBMCQRVGTUHTL-UHFFFAOYSA-N
-rxn:2:76140:139330,CC1(C)CCC(C2CCC(NC3CS(=O)(=O)Cc4ccccc43)CC2)CC1,JSAHUEBBAJRKJA-UHFFFAOYSA-N
-rxn:2:76140:92919,CN1CC(NC2CCC(C3CCC(C)(C)CC3)CC2)C1,PYZOCRYYODJYGE-UHFFFAOYSA-N
-rxn:2:76229:109459,CCC(CC1CCCC1)NCC1CCC[Si](C)(C)CC1,KRNMMCMJICGHHH-UHFFFAOYSA-N
-rxn:2:76229:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCC1CCC[Si](C)(C)CC1,YHHLJXYXPXSXDF-UHFFFAOYSA-N
-rxn:2:76229:96018,CCC(CC1CCCCC1)NCC1CCC[Si](C)(C)CC1,SWIUTLFVKDKSIQ-UHFFFAOYSA-N
-rxn:2:76229:96089,CC(CC1CCCCC1)NCC1CCC[Si](C)(C)CC1,IXFWLBJRSBJWRU-UHFFFAOYSA-N
-rxn:2:76569:149479,Cc1ccc2c(c1)C(Nc1ccc(N3CC(N(C)C)C3)nc1)CC1(CCS(=O)(=O)CC1)O2,JRULOQZGQHKMDI-UHFFFAOYSA-N
-rxn:2:76744:125295,CCCC1CCN(c2cccc(NC3CC(CS(=O)(=O)F)C3)c2C)CC1,DDMDYWUHTSDFDF-UHFFFAOYSA-N
-rxn:2:76981:99409,CO[C@@H]1CCCCC[C@H]1NC1COC2CCCOC2C1,PWBFXMVXRISCJU-BNCAHLNWSA-N
-rxn:2:77003:128428,C[C@@H]1CN(C)[C@@H](c2ccccc2)CC1NC1CO[C@H]2CN(C)C[C@@H]2OC1,FYZUTVQVYOPCIT-IOIHHLFRSA-N
-rxn:2:77502:98368,CCCC(NCC1(N(C)C)CCCCCC1)C1CCC1,IJXHJRXBGZWVPQ-UHFFFAOYSA-N
-rxn:2:77610:129032,C[Si](C)(C)C#CCNC1CCCCCCCCCCC1,XPTWFPKXHDJSEM-UHFFFAOYSA-N
-rxn:2:78524:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCC2C(F)(F)C23CCC3)cc1,NZXXGWAYOMHKHQ-UHFFFAOYSA-N
-rxn:2:78897:107703,COc1ccc(C(CS(C)(=O)=O)NCC(C2CCCCC2)N(C)C)cc1,WRJZFERGCIVNGQ-UHFFFAOYSA-N
-rxn:2:78973:143384,CC1(C)CC(NCc2ccc(N3CCS(=O)(=O)CC3)nc2)CCN1c1ccc2c(c1)OCCO2,XIMMETBPBGQAMA-UHFFFAOYSA-N
-rxn:2:78999:121598,CCC(CNC(c1cccc(S(C)(=O)=O)c1)C1CC1)N(C)C1CCCCC1,WMMDIEKVVPMQRL-UHFFFAOYSA-N
-rxn:2:79107:107906,Cc1cc(N2CCC(N(C)C)CC2)ccc1NC(c1ccccc1)C(F)N1CN(F)C=N1,WKACCQJNUPQIOC-UHFFFAOYSA-N
-rxn:2:79107:148822,Cc1cc(N2CCC(N(C)C)CC2)ccc1NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,KSWGBVMBHXWLTR-UHFFFAOYSA-N
-rxn:2:79107:163743,Cc1cc(N2CCC(N(C)C)CC2)ccc1NC(c1cccc(S(C)(=O)=O)c1)C1CCC1,YOOOQHBZZVQHTB-UHFFFAOYSA-N
-rxn:2:79686:158361,Cc1ccc(C(C)C)c2c1C(Nc1c(C(C)C)c(=O)[nH]c(=O)n1C)C(CN(C)C)CCO2,PVMVOMWIPZTHJC-UHFFFAOYSA-N
-rxn:2:79994:128428,CC1CN(C)CCC1NC1CO[C@H]2CN(C)C[C@@H]2OC1,GLKVNWSTDBXWKJ-MOQPVCNJSA-N
-rxn:2:79998:121598,Cc1nnc(C2CCC(CNC(c3cccc(S(C)(=O)=O)c3)C3CC3)CC2)n1C1CC1,NEWBNHYPNCEINZ-UHFFFAOYSA-N
-rxn:2:80139:108786,CC1CCN(c2ccc(C(C)Nc3[nH]nc(N4CCOCC4)c3S(C)(=O)=O)cc2)CC1,ZHXVMZDHCGGLNG-UHFFFAOYSA-N
-rxn:2:80299:107703,COc1ccc(C(CS(C)(=O)=O)NC(C)(C)C2CCCC(F)(F)C2)cc1,ZOMNIOKDUSGMFD-UHFFFAOYSA-N
-rxn:2:80684:137712,CC(C)c1ccc(C(NCC2CC(C)(C)N(C)C2(C)C)C2CCC2)cc1,NGJOSCIQPJCJJE-UHFFFAOYSA-N
-rxn:2:80684:70314,CCC(NCC1CC(C)(C)N(C)C1(C)C)c1ccc(C2CCCC2)cc1,KZOMDPPSQYLZJT-UHFFFAOYSA-N
-rxn:2:80959:149479,Cc1ccnc(N2CCCC(NC3CC4(CCS(=O)(=O)CC4)Oc4ccc(C)cc43)C2)c1,QUFJTKOUVJHCAK-UHFFFAOYSA-N
-rxn:2:80959:158184,Cc1ccnc(N2CCCC(NC3CC4(CCS(=O)(=O)CC4)Oc4cc(C)ccc43)C2)c1,XHEOOWDRWMPOPB-UHFFFAOYSA-N
-rxn:2:81369:90147,CN1CC(NC(c2ccc(S(=O)(=O)F)cc2)C2CC2)C2(CCSCC2)C1,GIYDUYPJSWAQGR-UHFFFAOYSA-N
-rxn:2:81725:103907,CN1CCC(C(NCC2CN(C)CC23CCSCC3)c2cccnc2)C1,BPZKBUVNONJOQS-UHFFFAOYSA-N
-rxn:2:81735:162583,CN1CCC(C(C2CC(NC(c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)C3CC3)C2)N(C)C)C1,IOJWNSQAWJSBSQ-UHFFFAOYSA-N
-rxn:2:82348:140837,CCCC(CCC1CCCC1)NCC1(C)CCCN1C,QQUBQUUPGOXEPK-UHFFFAOYSA-N
-rxn:2:82478:163743,CC(CNC(c1cccc(S(C)(=O)=O)c1)C1CCC1)Cc1ncc(C2CCCN(C)C2)[nH]1,JLYINAGMKSVLCE-UHFFFAOYSA-N
-rxn:2:82746:107703,COc1ccc(C(CS(C)(=O)=O)NC2(CC3CC3)CCC(F)(F)CC2)cc1,YURQBWLPEDRZEY-UHFFFAOYSA-N
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-rxn:2:83709:153537,Cc1ccc(C)c(C(Nc2c(C)c(C3CC3)nn2C2CCOCC2)C(C)S(C)(=O)=O)c1,CWOJRMNFRFNQAM-UHFFFAOYSA-N
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-rxn:2:84369:151573,CC1(C)Cc2nc(N3CCOCC3)ncc2C(Nc2c(S(C)(=O)=O)cnn2C2CC2)C1,HHZGUEFQCNRGJU-UHFFFAOYSA-N
-rxn:2:84648:135599,Cc1cc(C)cc(CCC(Nc2c(S(C)(=O)=O)cnn2C(C)C2CCC2)C2CCCC2)c1,LGTPCDSVENIYER-UHFFFAOYSA-N
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-rxn:2:87205:148822,Cc1ccc(N2CCN(C)CC(C)(C)C2)cc1NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,BBHKOJFVBQRKQH-UHFFFAOYSA-N
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-rxn:2:88557:113425,CC1C(NC2CCCC3(CCN(C)CC3)C2)CC1(C)C,QMDRUILOXYSVAE-UHFFFAOYSA-N
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-rxn:2:109890:113959,CC1CC(C)CN(c2ccc(C(C)NC3CCC[Si](C)(C)CC3)cc2)C1,DOEWQKPFADESAB-UHFFFAOYSA-N
-rxn:2:109970:134766,CSc1nnc(C(NCc2cccc(N3CCS(=O)(=O)CC3)c2)C(C)(C)C)n1C1CC1,KADJQTQTKBLWBW-UHFFFAOYSA-N
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-rxn:2:122282:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC1(N(C)C)CCN(C)C1,ZYOHWSYXSVKJHA-UHFFFAOYSA-N
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-rxn:2:125295:139146,CC(C)Oc1ccc(N2CCC(ONC3CC(CS(=O)(=O)F)C3)C2)cc1,CXLYDQIEHVULPY-UHFFFAOYSA-N
-rxn:2:125471:149518,CC(NCc1cccc(N2CCC(C(C)(C)C)CC2)n1)c1ccc(N2CCS(=O)(=O)CC2)cc1,DFXXSIHOGAVAFQ-UHFFFAOYSA-N
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-rxn:2:126600:106665,CCC(Cc1cnc(N2CCN(C)CC2)nc1)NC(C)c1ccc(C)cc1OS(=O)(=O)F,QAHZWALKISGSPV-UHFFFAOYSA-N
-rxn:2:126600:89062,Cc1ccc(C(C)NCCCc2nc(C)cc(C3CCCN(C)C3)n2)c(OS(=O)(=O)F)c1,VSUBSLZGQYNPJD-UHFFFAOYSA-N
-rxn:2:126600:94397,Cc1ccc(C(C)NCCC2CCN(c3ncc(C(C)(C)C)cn3)C2)c(OS(=O)(=O)F)c1,YMMJDVJPXGCIGG-UHFFFAOYSA-N
-rxn:2:126600:96849,Cc1ccc(C(C)NCc2ccnn2C2CCC(C(C)(C)C)CC2)c(OS(=O)(=O)F)c1,ZVIORIKIFHIRJI-UHFFFAOYSA-N
-rxn:2:126600:97293,Cc1ccc(C(C)NC2CCN(c3nc(C4CC4)nc(C)c3C)CC2)c(OS(=O)(=O)F)c1,MKVNOVYXYSMVQM-UHFFFAOYSA-N
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-rxn:2:127154:79791,CSc1ccc(C(CS(C)(=O)=O)NCc2ccc(N3CCC(C(C)(C)C)CC3)nc2)cc1,IAYNZGZWMFPBDI-UHFFFAOYSA-N
-rxn:2:127942:144703,CC(C)(C)[Si](C)(C)OC1CCCCC1NCC1C(c2cnc3cn[nH]c3c2)C1(F)F,WNYKNHJFASRIHO-UHFFFAOYSA-N
-rxn:2:128171:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(N(C)C)CCN(C)CC1,OLVVUAYPXZMTFI-UHFFFAOYSA-N
-rxn:2:128441:119605,CC[C@H](NC(CCS(=O)(=O)F)C1CC1)c1ccc(N2CCCCC2)cc1,IWWOSSWQRLGCFO-XJDOXCRVSA-N
-rxn:2:128441:139476,CC(C)(C)C(NC(CCS(=O)(=O)F)C1CC1)c1ccc(N2CCCCC2)cc1,PXFHWDQFOPVWIP-UHFFFAOYSA-N
-rxn:2:128727:131150,CC(CCC1CCN(c2ccc3c(c2)OCO3)C1)Nc1ccc(C2(S(C)(=O)=O)CC2)nc1,UFWAGRBOWYYBNN-UHFFFAOYSA-N
-rxn:2:128727:131913,CCCC(Nc1ccc(C2(S(C)(=O)=O)CC2)nc1)C1CCN(CCC)C1,HBJUMZGKDVYFBY-UHFFFAOYSA-N
-rxn:2:128727:70087,CC(C)(C)C(CCN1CCN(C2CC2)CC1)Nc1ccc(C2(S(C)(=O)=O)CC2)nc1,OZCNIEADXGXRLU-UHFFFAOYSA-N
-rxn:2:129526:71427,CC(CCc1c2c(cc3c1OCCC3)OCCC2)Nc1ccc(C(C)(C)S(C)(=O)=O)nc1,AEEHGPHYUAXMAP-UHFFFAOYSA-N
-rxn:2:129631:144179,CC(NC1(CCS(C)(=O)=O)CCCC1)c1ccc(-c2ccc(C3CC3)nc2)c2c1OCO2,IWFLCLQCPWNLBJ-UHFFFAOYSA-N
-rxn:2:129951:73911,CCOc1ccc(C(CS(C)(=O)=O)NC2(c3nc(C)cc(C4CCCN(C)C4)n3)CC2)cc1,ASZGHOPLCZULHA-UHFFFAOYSA-N
-rxn:2:129951:95784,Cc1ccc(C(CCS(C)(=O)=O)NC2(c3nc(C)cc(C4CCCN(C)C4)n3)CC2)cc1,ADHQZSLGABJBSD-UHFFFAOYSA-N
-rxn:2:130197:167731,CCC(Nc1cc(C)c(C)nc1S(=O)(=O)C1CC1)c1ccc(N2CCN(C)CC2)nc1C,BCEFDDDUINQZAX-UHFFFAOYSA-N
-rxn:2:130772:79791,CSc1ccc(C(CS(C)(=O)=O)NCCN(C)C2CCN(C)CC2)cc1,UGQVSRXJYVXRMP-UHFFFAOYSA-N
-rxn:2:131124:147241,CC(Nc1cc(N2CCCCC2)nc(C2CC2)n1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,KCIBXYPWYWPMMF-UHFFFAOYSA-N
-rxn:2:131143:155159,CCC1(NC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)CCC(F)CC1,WIDDSBWBMLVUEE-UHFFFAOYSA-N
-rxn:2:131379:163813,CC(Nc1cc(=O)[nH]n1C(C)C1CC1(F)F)SCC#Cc1ccc(C(=O)C2CC2)cc1,XHDOMNMSMHAUSL-UHFFFAOYSA-N
-rxn:2:131379:87172,CC(C1CC1(F)F)n1[nH]c(=O)cc1NC(CN(C)C1CCN(C)CC1)c1cccn1C,CUIMNCVKZIAEDY-UHFFFAOYSA-N
-rxn:2:132258:111080,CCN1CCN(c2cc3c(cc2NC(c2cccc(C)c2)C(C)S(C)(=O)=O)OCO3)CC1,AZMIPNRAXMGPSE-UHFFFAOYSA-N
-rxn:2:132989:79791,CSc1ccc(C(CS(C)(=O)=O)NCC2CCN(c3ccc(C(C)(C)C)nn3)CC2)cc1,JYUOTQJXYSJMSM-UHFFFAOYSA-N
-rxn:2:133419:145721,Cc1cc(C(C)NC(c2n[nH]c(=O)[nH]2)C2C3CC4CC(C3)CC2C4)ccc1-c1cccc(S(C)(=O)=O)c1,VNWVPEKTPDKFGC-UHFFFAOYSA-N
-rxn:2:133436:155634,Cc1cc(C2CCCCN2C)cnc1NC(c1ccc(S(=O)(=O)C(C)C)cc1)C1CCC1,GNCHDCBESSJMGK-UHFFFAOYSA-N
-rxn:2:133579:155159,CC1(COc2ccncc2CNC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)CCC1,FQWKDAULBCSTMG-UHFFFAOYSA-N
-rxn:2:133952:110753,CCC(NCC(C)(C)S(=O)(=O)c1ccn(C)n1)C1CCN(c2ccc3c(c2)OCO3)C1,RNBQFWCCDBKIQC-UHFFFAOYSA-N
-rxn:2:134221:167731,CCC(Nc1cc(C)c(C)nc1S(=O)(=O)C1CC1)c1cnc(N2CCN(C)CC2)cc1C,PEMPIFOCPSQTCR-UHFFFAOYSA-N
-rxn:2:134665:162580,CCC(NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,JVFTYUZYWXMJQZ-UHFFFAOYSA-N
-rxn:2:134766:103302,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(N2CCC(C)CC2)cc1,QWUAIKTVZGKELV-UHFFFAOYSA-N
-rxn:2:134766:141711,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1cnc(N2CCN(CC)CC2)c(C)c1,DXGXDRVSHFNSPS-UHFFFAOYSA-N
-rxn:2:134766:78215,CC1(C)C(NCc2cccc(N3CCS(=O)(=O)CC3)c2)CCN1c1ccc2c(c1)OCO2,OOTRZHOHKAJGBX-UHFFFAOYSA-N
-rxn:2:134766:80548,CCC(C)(C)c1cc(N2CCC(NCc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)ncn1,BGAOTYHTXDFAHZ-UHFFFAOYSA-N
-rxn:2:134766:86695,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(N2CCN(CC)CC2)nc1,UERVDNBNINEQJU-UHFFFAOYSA-N
-rxn:2:134766:87946,CCC(NCc1cccc(N2CCS(=O)(=O)CC2)c1)c1cnc(N2CCCCC2)cc1C,RXIQOJLSLLQINO-UHFFFAOYSA-N
-rxn:2:134930:160107,Cc1ccc(C(N(C)C)C2(CNC(c3nnc4c(=O)c5c([nH]n34)CCC5)C(C)C)COC2)cc1C,HEFJVFNJFJJJEI-UHFFFAOYSA-N
-rxn:2:135321:155634,Cc1cs/c(=N\C2CCCCC2)n1NC(c1ccc(S(=O)(=O)C(C)C)cc1)C1CCC1,ITOPOBHCQIUOHK-IZHYLOQSSA-N
-rxn:2:135537:157931,CC(C)(C)[Si](C)(C)OC1CCC(NC2COc3ccc(-c4ccc5c(c4)OCO5)cc32)CC1,WJDAVTPVWUODAP-UHFFFAOYSA-N
-rxn:2:135537:162293,CC(C)(C)[Si](C)(C)OC1CCC(NC2COc3cc(-c4ccc5c(c4)OCO5)ccc32)CC1,HCZIASUUULGTAP-UHFFFAOYSA-N
-rxn:2:135681:143384,CC1(C)CC(NCc2cc(N3CCS(=O)(=O)CC3)ccn2)CCN1c1ccc2c(c1)OCCO2,DQPFARWYBPFCCH-UHFFFAOYSA-N
-rxn:2:135956:148294,CC(C)(C)C(NC1CCCN(c2cc(C3CCC3)ncn2)C1)c1cccc(S(C)(=O)=O)c1,FLVGRHGWXODDKO-UHFFFAOYSA-N
-rxn:2:136388:148294,Cc1cc(N2CCCCCC2)ncc1C(C)NC(c1cccc(S(C)(=O)=O)c1)C(C)(C)C,BNZIBMFNBHONEM-UHFFFAOYSA-N
-rxn:2:136611:155159,CN1CCC(c2ccc(CNC(CC3=NCCO3)c3ccc(S(C)(=O)=O)cc3)cn2)CC1,HYWMQVMIPKYNHQ-UHFFFAOYSA-N
-rxn:2:138055:126600,Cc1ccc(C(C)Nc2cnc(OCC3CCN(C4CC4)CC3)nc2)c(OS(=O)(=O)F)c1,WJMQWNLHLTUFTO-UHFFFAOYSA-N
-rxn:2:138055:132258,Cc1cccc(C(Nc2cnc(OCC3CCN(C4CC4)CC3)nc2)C(C)S(C)(=O)=O)c1,FLOWJAXNVZGTIJ-UHFFFAOYSA-N
-rxn:2:138770:130972,CC(CCS(=O)(=O)c1ccc(C(C)C)cc1)Nc1ccc(C2CC2)cc1N1CCCCC1,YHJGMJXKVWSXLR-UHFFFAOYSA-N
-rxn:2:138770:147241,CC(Nc1ccc(C2CC2)cc1N1CCCCC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,GELZIYPHDBMSOL-UHFFFAOYSA-N
-rxn:2:138843:163743,CCC(C)N1CCCC(Oc2ccc(NC(c3cccc(S(C)(=O)=O)c3)C3CCC3)cc2)C1,TXUPMIAUSSTMJT-UHFFFAOYSA-N
-rxn:2:139310:82688,CCc1cc(C(CC2=NCCO2)NCC2CC(OS(C)(=O)=O)C2)ccc1OC,LUAXNUUSUMKKIH-UHFFFAOYSA-N
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-rxn:2:139956:149518,CC(Nc1ccccc1N1CCN(C2CC2)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,LRXKMFWBMNYNJK-UHFFFAOYSA-N
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-rxn:2:68833:108652,CCS(=O)(=O)CCCC(Nc1ccnc(N2CCN(C)CC2)c1)C(C)(C)C,SOSIPHIFQHLPKR-UHFFFAOYSA-N
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-rxn:2:69415:92053,CCCC(Nc1ccc(OS(=O)(=O)F)c(C(C)C)c1)C1CCN(C2CC2)C1,MYAWVBVYCYACJT-UHFFFAOYSA-N
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-rxn:2:70685:116586,CCc1ccc(CCC2(NC3CC(S(=O)(=O)F)C3)CCN(C)CC2)cc1,KURXKZVRSUKZEJ-UHFFFAOYSA-N
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-rxn:2:73911:91225,CCOc1ccc(C(CS(C)(=O)=O)N[C@@H](c2ccc(N3CCCCC3)cc2)C2CC2)cc1,UXRZNPJLIXAJAB-FXDYGKIASA-N
-rxn:2:74517:84561,CC(C)c1ccc(N2CC(Nc3ccc(S(=O)(=O)C4CCCCC4)nc3)CC2(C)C)cc1,OWFBAVDIBWQSKM-UHFFFAOYSA-N
-rxn:2:74556:103498,Cc1ccc(C(CC(C)C)Nc2ccc(S(=O)(=O)C3CC3)nc2C)cc1N1CCCCC1,QIZMRXPNGXHIGM-UHFFFAOYSA-N
-rxn:2:74944:143973,C[C@@H](c1ccncc1)N1CCC(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,QPYFQPLZBZVUID-SFHVURJKSA-N
-rxn:2:74966:154346,CN1CCC(CCn2cc(CNC(c3cccc(S(C)(=O)=O)c3)C3(C)CC3)nn2)CC1,JTRCAVQCUOIDTJ-UHFFFAOYSA-N
-rxn:2:75039:154283,Cc1nc2nc(N3CCCC3)[nH]c(=O)c2cc1C(C)Nc1ccc(N2CCCC(C(C)(F)F)C2)nc1,DAWQDXYDFGFFCK-UHFFFAOYSA-N
-rxn:2:75831:103320,CC(C)c1ccc(N2CCC(NCc3nccc(N4CCS(=O)(=O)CC4)n3)C2(C)C)cc1,AYMTYRYFQDQGIS-UHFFFAOYSA-N
-rxn:2:76014:144484,CC(C)(C)[Si](C)(C)OCC1CC(NCC2C(c3cnc4[nH]ncc4c3)C2(F)F)C1,WWZCKMGNGAJWJJ-UHFFFAOYSA-N
-rxn:2:76050:125295,CC(C)[C@H](NC1CC(CS(=O)(=O)F)C1)c1cccc(OC2CCCC2)c1,USCOYMUANWYBSX-LAGYLCCXSA-N
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-rxn:2:76235:145113,Cc1ccc(C(C)C)cc1C(C#CN1CCCCC1)Nc1[nH]ncc1S(=O)(=O)C(C)(C)C,KTCBRGGYQFWFDO-UHFFFAOYSA-N
-rxn:2:77052:155634,CCN1CCC(Oc2ccncc2NC(c2ccc(S(=O)(=O)C(C)C)cc2)C2CCC2)CC1,ZPYQKDJRQBHGNP-UHFFFAOYSA-N
-rxn:2:77271:153335,CCN1CCN(c2nc(C)cc(NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)n2)CC1,CLEQGHHPYXPPAE-UHFFFAOYSA-N
-rxn:2:77326:153335,CCC(NC(c1ccc(S(=O)(=O)CC)cc1)C1CCCC1)c1ccc(N2CCN(C)CC2)nc1,BBDRSYYTTHDSSR-UHFFFAOYSA-N
-rxn:2:77393:162580,CCC(N[C@H](c1ccc2c(c1)OCO2)C1CCC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,RLHGPLMLIODFDX-JWIMYKKASA-N
-rxn:2:77527:140482,CC(C)c1cc(C(Nc2ccc(CS(=O)(=O)C3CC3)nc2)C(C)C)cc2c1OCCCC2,NJESKSVTUYVPJG-UHFFFAOYSA-N
-rxn:2:78958:153335,CCN1CCN(c2ccc(NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)nn2)CC1,DJGPUGBIMYLUGV-UHFFFAOYSA-N
-rxn:2:78973:100645,CC(C)Oc1ccc(N2CCC(NCc3ccc(N4CCS(=O)(=O)CC4)nc3)C2(C)C)cc1,QDPJLUJPVHXXBC-UHFFFAOYSA-N
-rxn:2:79266:165217,CC1CN(C)CC(CNC2COc3cccc(-c4cnn(S(C)(=O)=O)c4)c32)N(C2CC2)C1,URGGKFZJDXJLAG-UHFFFAOYSA-N
-rxn:2:79450:153335,CCC(C)N1CCN(c2ccncc2NC(c2ccc(S(=O)(=O)CC)cc2)C2CCCC2)CC1,MIYZGYVWXPBVDI-UHFFFAOYSA-N
-rxn:2:79450:154346,CCC(C)N1CCN(c2ccncc2NC(c2cccc(S(C)(=O)=O)c2)C2(C)CC2)CC1,SNCMHQROAJCMIQ-UHFFFAOYSA-N
-rxn:2:79791:100478,CSc1ccc(C(CS(C)(=O)=O)NCC2(F)CCC(C(C)(C)C)CC2)cc1,YHKZFEZZPKITRB-UHFFFAOYSA-N
-rxn:2:79791:115147,CSc1ccc(C(CS(C)(=O)=O)NC(C)(C)C2CCC(F)(F)CC2)cc1,BYSNWRBARRFLBG-UHFFFAOYSA-N
-rxn:2:79791:115450,CSc1ccc(C(CS(C)(=O)=O)NCc2c(C)cc(C)nc2OC2CCN(C)CC2)cc1,BKKIOEBCGNKIMW-UHFFFAOYSA-N
-rxn:2:79791:118727,CSc1ccc(C(CS(C)(=O)=O)NCC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,HGWHEIZHDHKHEM-UHFFFAOYSA-N
-rxn:2:79791:140256,CSc1ccc(C(CS(C)(=O)=O)NCC(F)C2CCC(C)(C)CC2)cc1,KICIWDBWANOPMY-UHFFFAOYSA-N
-rxn:2:79791:80299,CSc1ccc(C(CS(C)(=O)=O)NC(C)(C)C2CCCC(F)(F)C2)cc1,NZNNMGPJNNHTIW-UHFFFAOYSA-N
-rxn:2:79791:81261,CSc1ccc(C(CS(C)(=O)=O)NCC2CCC(C(C)(C)C)CC2)cc1,KXFKEAZTMHSIPT-UHFFFAOYSA-N
-rxn:2:79791:86757,CSc1ccc(C(CS(C)(=O)=O)NC2C(F)CCCC2C(C)(C)C)cc1,PLSBZJATFFKPAA-UHFFFAOYSA-N
-rxn:2:80054:79791,CSc1ccc(C(CS(C)(=O)=O)NCC(C)CN2CCCN(c3ccncc3)CC2)cc1,AKRQGCWMEPNYHA-UHFFFAOYSA-N
-rxn:2:80136:152220,CCn1c(C)cc(C(CS(C)(=O)=O)NCc2ccccc2N2CCCN(C)CC2)c1C,RTWPPIVQGHIGFB-UHFFFAOYSA-N
-rxn:2:80852:162580,CCC(N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,BGAPMXOERKOCIR-HSTJUUNISA-N
-rxn:2:81423:162580,CCC(NCCC1CC(c2ccc3c(c2)OCO3)C1)c1ccc(N2CCS(=O)(=O)CC2)nc1,QVTIJBSAHPQJLP-UHFFFAOYSA-N
-rxn:2:81598:158361,Cc1ccc(C(C)C)c2c1C(Nc1cn(CC(C)C)c(=O)[nH]c1=O)C(CN(C)C)CCO2,ABEYOKJWRBCHAI-UHFFFAOYSA-N
-rxn:2:81978:155634,Cc1nc(N2CCC(C)CC2)ccc1NC(c1ccc(S(=O)(=O)C(C)C)cc1)C1CCC1,VHJRUUYTVHAWMY-UHFFFAOYSA-N
-rxn:2:82104:153335,CCS(=O)(=O)c1ccc(C(Nc2cnc(N3CCN(C)CC3)cc2C)C2CCCC2)cc1,NJWDENFFBYVNJZ-UHFFFAOYSA-N
-rxn:2:82434:73911,CCOc1ccc(C(CS(C)(=O)=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1,CZQJVSIFDXAMRT-UHFFFAOYSA-N
-rxn:2:82434:85185,CCS(=O)(=O)C(C)C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1cccc(C)c1,VTLCFIBXWAKIMP-UHFFFAOYSA-N
-rxn:2:82501:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)N[C@@H](C)C1CCC(F)(F)CC1,KVIXQDWYTUFTLV-KZUDCZAMSA-N
-rxn:2:83185:141967,Cc1cc(N2CCCCCC2)ccc1NC1CC(C[Si](C)(C)C)C1(C)C,XNHZBXGLMHSMKK-UHFFFAOYSA-N
-rxn:2:83277:100645,CC(C)Oc1ccc(N2CCC(Nc3c(S(C)(=O)=O)cnn3C3CCC3)C2(C)C)cc1,LUOHEBQHFSDEID-UHFFFAOYSA-N
-rxn:2:83277:147291,CN1CCN(CCC(Nc2c(S(C)(=O)=O)cnn2C2CCC2)c2ccc3c(c2)OCCO3)CC1,QSKRTOHZAAKHAG-UHFFFAOYSA-N
-rxn:2:83881:155634,CCc1ccc(N2CCN(C)CC2)cc1NC(c1ccc(S(=O)(=O)C(C)C)cc1)C1CCC1,JYZYVCVETIKEKK-UHFFFAOYSA-N
-rxn:2:84217:82979,CCSc1ccc(C(C#CN2CCCC2)NCC(C)(C)CS(=O)(=O)F)cc1,RZSMMTDVLDAOCY-UHFFFAOYSA-N
-rxn:2:84561:103596,CC(C)c1ccc(N2CC(Nc3[nH]nc(C4CCCCC4)c3S(C)(=O)=O)CC2(C)C)cc1,RGZKSDYHHKTYRB-UHFFFAOYSA-N
-rxn:2:84956:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1ccc(N2CCCCC2)o1)N(C)C,KVBMPTUMMJMXHQ-UHFFFAOYSA-N
-rxn:2:85081:162580,CCc1cccc(N2CCC(NC(CC)c3ccc(N4CCS(=O)(=O)CC4)nc3)CC2)c1,MESJQNPISLSOHG-UHFFFAOYSA-N
-rxn:2:85575:78215,CC1(C)C(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCN1c1ccc2c(c1)OCO2,WHLODXDYOUTAQA-UHFFFAOYSA-N
-rxn:2:85746:162580,CCC(NCC1(c2ccc3c(c2)OCCO3)CCC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,VQDBPJOOLNMWBW-UHFFFAOYSA-N
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-rxn:2:117066:123363,CC(NC(C)(C)CC(F)(F)C1CCCN(C)C1)c1ccc(OS(=O)(=O)[O-])cc1,KRIUWKJLEJLNTN-UHFFFAOYSA-M
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-rxn:2:117468:128727,CCC(Nc1ccc(C2(S(C)(=O)=O)CC2)nc1)c1ccc(N2CCN(C(C)C)CC2)nc1,HPYJGORFIDECBY-UHFFFAOYSA-N
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-rxn:2:118420:148296,CC(F)(F)C1CCN(c2ccc(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)cc2)CC1,JKOXDKAABJUMMU-UHFFFAOYSA-N
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-rxn:2:119063:130197,CCC(NCc1nc(C2(S(C)(=O)=O)CC2)no1)c1ccc(N2CCN(C)CC2)nc1C,PZMCJPOGQOEMOM-UHFFFAOYSA-N
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-rxn:2:120307:79791,CSc1ccc(C(CS(C)(=O)=O)NCCCN(C)C2CCN(C)CC2)cc1,LSIOHKSICCBWNJ-UHFFFAOYSA-N
-rxn:2:120592:162580,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,YKEFEDLWUBSJGL-UHFFFAOYSA-N
-rxn:2:121027:153537,Cc1ccc(C)c(C(NC(c2n[nH]c(C3CCCC3)n2)C(C)(C)C)C(C)S(C)(=O)=O)c1,ASVUFKATAJDBLE-UHFFFAOYSA-N
-rxn:2:121598:142025,CC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)c1nc2c(c(N3CCCC3)n1)CCN2C,DSAMNZMGNDWHMJ-UHFFFAOYSA-N
-rxn:2:121965:148822,CC1CCC(Cc2ccc(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)cc2)CC1,IEBYCKXWEZUZTK-UHFFFAOYSA-N
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-rxn:2:127538:100348,CCN1CCN(c2ccc(C(C)Nc3ncc(S(=O)(=O)CC)c(C(C)(C)C)n3)cc2)CC1,YQOQERXZTWVOQN-UHFFFAOYSA-N
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-rxn:2:128389:126600,Cc1ccc(C(C)NCCC2CCN(Cc3ccncc3)C(C)(C)C2)c(OS(=O)(=O)F)c1,HEVMNPMAGKKMMB-UHFFFAOYSA-N
-rxn:2:128727:143384,CC1(C)CC(Nc2ccc(C3(S(C)(=O)=O)CC3)nc2)CCN1c1ccc2c(c1)OCCO2,GQTBBAZRSXWZPD-UHFFFAOYSA-N
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-rxn:2:129706:137294,CCC(Nc1[nH]nc(C2CCCC2)c1S(C)(=O)=O)c1ccc(N2CCC(F)CC2)cc1,VYJRAUSXKRBBBT-UHFFFAOYSA-N
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-rxn:2:129951:90147,Cc1cc(C2CCCN(C)C2)nc(C2(NC(c3ccc(S(=O)(=O)F)cc3)C3CC3)CC2)n1,RUSQLYOJQOTOKB-UHFFFAOYSA-N
-rxn:2:131379:90924,CCC1CCN(CC(Nc2cc(=O)[nH]n2C(C)C2CC2(F)F)c2ccn(C)c2)CC1,VFOYAMBQVSKQIO-UHFFFAOYSA-N
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-rxn:2:131670:166079,CC(Nc1cnc(N(C)C)nc1N1CCOCC1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,QAONFIQMFQZCBX-UHFFFAOYSA-N
-rxn:2:132652:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2CCN(c3cc4c(nn3)CCCCC4)C2)cc1,MGZVOKLTYCWLIZ-UHFFFAOYSA-N
-rxn:2:132917:94533,CCN1CCN(CC(Nc2c(S(C)(=O)=O)cnn2C(C)C2CC2)c2ccn(C)c2)CC1,SRBZHCCDRMSIOY-UHFFFAOYSA-N
-rxn:2:133714:121598,CS(=O)(=O)c1cccc(C(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)C2CC2)c1,NDBQWUUDPNVZQU-UHFFFAOYSA-N
-rxn:2:134492:156071,CC1(C(NC2CCN(C3CCN(c4ccccc4)CC3)CC2)c2cccc(S(C)(=O)=O)c2)CC1,UGAXKBVWMOCZOF-UHFFFAOYSA-N
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-rxn:3:62824:39534:110719,CC(C)C1(c2cn(CC3CC(=O)N([C@@H](C(=O)NOCC(C)(F)F)C4=CCC=CC4)C3)nn2)CC1,PLTOBYSLHNZJDD-FBLFFUNLSA-N
-rxn:3:63706:8803:118925,C=CCCc1cn(CC2CC(=O)N(c3cc(C)cc(C(=O)Nc4c(OC)cccc4S(=O)(=O)F)c3)C2)nn1,FXUHLORXYLTUQS-UHFFFAOYSA-N
-rxn:3:6388:64480:73487,C[Si](C)(C)C1CC(NC(=O)c2cc(F)c(N3CC(Cn4cc(-c5ccc6nccn6n5)nn4)CC3=O)cc2F)C1,GRIDLYCSSTVCSK-UHFFFAOYSA-N
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-rxn:3:6404:49485:160130,CN1CCCN(c2ncc(-c3cn(C4CC(C(=O)NCc5ccc(S(C)(=O)=O)c6ccccc56)C4)nn3)cn2)CC1,KXKQRXOJMVZNBP-UHFFFAOYSA-N
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-rxn:3:6595:60588:66152,CC(C)C[C@H](C(=O)NC1CCC(F)(F)C1)n1cc(Cn2ccn3nc(C4CC4)c(C#N)c23)nn1,GRWBIHINRAOOKS-LRTDYKAYSA-N
-rxn:3:6614:60588:140637,CC(C)C[C@H](C(=O)NCC1(F)CCC(F)CC1)n1cc(Cn2ccn3ncc(C#N)c23)nn1,NNKQYQOIJHPQQN-IMYXXEESSA-N
-rxn:3:6963:61928:82060,CC(C)[C@H](C(=O)NOC1CCCC(F)(F)CC1)n1cc(Cn2nc(-c3cccnc3)cc2C#N)nn1,WTPWRALOPDNCLB-LWMIZPGFSA-N
-rxn:3:6963:62479:74133,CC(C)C(C(=O)NCC1CCCC(F)(F)CC1)n1cc(Cn2nc(-c3cccnc3)cc2C#N)nn1,JGSURZOAQHRWGH-UHFFFAOYSA-N
-rxn:3:6999:43235:75644,COc1ccc(C#CCn2cc(-c3nccnc3C#N)nn2)c(C(=O)NCC(F)(F)C(OC)C2CC2)c1,GEVUCZTUDLXJFO-UHFFFAOYSA-N
-rxn:3:7075:43417:168103,CN1CCN(c2ncccc2-c2cn(C3C=CCC(C(=O)Nc4ccc5ccc(S(=O)(=O)[O-])cc5c4)C3)nn2)CC1,ZMINIESRXRIBGQ-UHFFFAOYSA-M
-rxn:3:709:42910:75644,CC=Cc1cn(CC#Cc2ccc(C(=O)NCC(F)(F)C(OC)C3CC3)c(C)c2)nn1,XLDVYBLRJSDYII-UHFFFAOYSA-N
-rxn:3:7196:64382:73487,C[Si](C)(C)C1CC(NC(=O)c2c(F)ccc(N3CC(Cn4cc(-c5ccn6nccc6n5)nn4)CC3=O)c2F)C1,VBKXWWMFYLITFD-UHFFFAOYSA-N
-rxn:2:100097:157049,CN(C)CCC1CCC(NC2CC3(CS(=O)(=O)C3)Oc3ccccc32)CC1,VEYIZLLTNOHOLP-UHFFFAOYSA-N
-rxn:2:100234:147241,CC(NC1(c2nc(N3CCOCC3)n[nH]2)CC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,JGYOPKOBRKNSTF-UHFFFAOYSA-N
-rxn:2:100605:149518,CC(NC1(c2ncc(C3CCN(C)CC3)[nH]2)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,VZXVZEFUCYFHRX-UHFFFAOYSA-N
-rxn:2:100647:83879,CSc1ccc(C(NCc2cn(C3CC3)nc2C(C)C)C(C)(C)N2CCOCC2)cc1,LKSRTEDECHMCGI-UHFFFAOYSA-N
-rxn:2:100822:78954,CN1CCc2cnc(C3CC(NC(C#C[Si](C)(C)C)CCc4ccccc4)CCN3C)cc21,NHIUKBZGZKOFPV-UHFFFAOYSA-N
-rxn:2:101606:123425,CC(C)(C)C(Cc1ccc(C2CCCC2)cc1)NC1CC[Si](C)(C)CC1,YNVWYYGUNXVNMX-UHFFFAOYSA-N
-rxn:2:101873:107703,COc1ccc(C(CS(C)(=O)=O)NC2CCN(c3cc(C4CCOCC4)ncn3)C2)cc1,ITWWJWJMPBURML-UHFFFAOYSA-N
-rxn:2:101959:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCc1nn(C2CCCOC2)c2c1C1CC1C2,IOSKJZIMYLVMPK-UHFFFAOYSA-N
-rxn:2:102322:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CC2)cnn1CC1CC1(F)F,ZNAIGURUAPVYIE-UHFFFAOYSA-N
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-rxn:2:102511:107703,COc1ccc(C(CS(C)(=O)=O)NC2CCN(c3cc(CC(C)(C)C)ncn3)CC2)cc1,CGMFMTXHYJXUNP-UHFFFAOYSA-N
-rxn:2:102686:104818,CC1(C)CCC(NC(c2ccncc2)C2C3CC4CC(C3)CC2C4)CC(C)(C)C1,HJUWJDUHFZVUGC-UHFFFAOYSA-N
-rxn:2:102904:147241,CC(Nc1cc(N2CCN(C)CC2)[nH]n1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,ABBSHIFUDOBYBH-UHFFFAOYSA-N
-rxn:2:103252:141967,CC1(C)C(C[Si](C)(C)C)CC1NCC(C1CCCC1)N1CCCc2ccccc21,XNHAGSAIPLNSKS-UHFFFAOYSA-N
-rxn:2:103458:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCc2cccc(N3CCS(=O)(=O)CC3)n2)c1,JJARNFLBECINTG-UHFFFAOYSA-N
-rxn:2:103458:132301,CC(C)(C)C(NCc1cccc(N2CCS(=O)(=O)CC2)n1)Oc1ccc2c(c1)OCCC2=O,JFZDWRNXFGKRRM-UHFFFAOYSA-N
-rxn:2:103596:137294,CCC(Nc1[nH]nc(C2CCCCC2)c1S(C)(=O)=O)c1ccc(N2CCC(F)CC2)cc1,FZURQKMRCNWWDW-UHFFFAOYSA-N
-rxn:2:103748:143973,O=S1(=O)N=C(N2CCC(NCc3nccc(N4CCC(F)(F)CC4)n3)CC2)c2ccccc21,RIAZFPAXLGIVHS-UHFFFAOYSA-N
-rxn:2:103748:160422,CS(=O)(=O)c1ccc(N2CCC(NCc3nccc(N4CCC(F)(F)CC4)n3)CC2)cc1,DQBFUUDKJVLQNR-UHFFFAOYSA-N
-rxn:2:103748:166005,CS(=O)(=O)c1cccc(N2CCC(NCc3nccc(N4CCC(F)(F)CC4)n3)CC2)c1,JGUWPHNJCXCNMO-UHFFFAOYSA-N
-rxn:2:103860:120035,CC1(C)Cc2c(ccn2C2CC2(C)C)C(NC2CC3CCC(C2)N3c2ccccc2)C1,LNUWDNFDHZMMOB-UHFFFAOYSA-N
-rxn:2:104175:103107,CCC(Nc1ccc(N2CC(COC)C(C)(C)C2)nc1)c1cnc(N2CCN(C)CC2)c(C)c1,SZXPPBZBVYERJY-UHFFFAOYSA-N
-rxn:2:104198:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCCC(C1CCC1)C1CCC1,WFEIMNCDHRAONW-UHFFFAOYSA-N
-rxn:2:104889:167512,CC(NCC1C(c2cnc(N(C)C)nc2)C1(F)F)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,ILYPOGKXTCSHAM-UHFFFAOYSA-N
-rxn:2:104957:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)Nc1c(C2CCCC2)cnn1CC1CC1(F)F,KIISQKDUCJMBCX-UHFFFAOYSA-N
-rxn:2:105038:72574,CC1CCC(Nc2cccc(C3(S(C)(=O)=O)CC3)c2)C(CN(C)Cc2nccn2C)C1,VKUJPCVNWUNPMB-UHFFFAOYSA-N
-rxn:2:105051:104465,CC(C)Oc1ncncc1N1CCC(NCCC(F)(F)c2ccc(S(C)(=O)=O)cc2)CC1,HIQQMBYGKBVEEI-UHFFFAOYSA-N
-rxn:2:105350:118209,CCCN1CCOc2ccc(C(CC)NCc3ccnc(N4CCS(=O)(=O)CC4)n3)cc21,PMWQVQVIDNEFRD-UHFFFAOYSA-N
-rxn:2:105451:107703,COc1ccc(C(CS(C)(=O)=O)NC2CCCN(c3cc(CC(C)(C)C)ncn3)C2)cc1,FLYXQIOCUYWWFG-UHFFFAOYSA-N
-rxn:2:105712:154155,CC1CCN(C)CC(CNC2COc3ccc(-c4cnn(S(C)(=O)=O)c4)cc32)N1C1CC1,ZXLDCSKOJLKYGH-UHFFFAOYSA-N
-rxn:2:106088:107703,CCCN1CC2CCC(C1)C2NC(CS(C)(=O)=O)c1ccc(OC)cc1,KCMXAVIRUYNEKN-UHFFFAOYSA-N
-rxn:2:106383:126442,CCC(Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1cnc(N2CCCCCC2)c(C)c1,GSTXWUABRMAOIB-UHFFFAOYSA-N
-rxn:2:106485:133952,COc1ccc(OC)c(C(CC2=NCCO2)NCC(C)(C)S(=O)(=O)c2ccn(C)n2)c1,ZKUGDWPZZMVCMI-UHFFFAOYSA-N
-rxn:2:106590:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCc1cc(C2CCC2)n(C2CCSC2)n1,PUVZVANTIBZHOB-UHFFFAOYSA-N
-rxn:2:107304:100862,CC(C)c1nc2c([nH]1)C(NCC1(N(C)C)CCC(F)(F)CC1)CCC2,OAKYKWYJKQLKTO-UHFFFAOYSA-N
-rxn:2:107304:144920,CC(C)Oc1cccc(-c2cn[nH]c(=O)c2C(C)NCC2(N(C)C)CCC(F)(F)CC2)c1,BFYMUGZNMDOXTM-UHFFFAOYSA-N
-rxn:2:107327:153335,CCS(=O)(=O)c1ccc(C(NC(c2ccncc2)C2CCN(C)CC2)C2CCCC2)cc1,GURNPAVATQALHL-UHFFFAOYSA-N
-rxn:2:107562:165086,CC(NCC1(CS(=O)(=O)F)CCC1)c1ccnc(-c2ccc(N3CCN(C)CC3)nc2)c1,XFOPFDFJQRTNJL-UHFFFAOYSA-N
-rxn:2:107906:112608,CC1CCC(Cn2c(NC(c3ccccc3)C(F)N3CN(F)C=N3)cc(=O)[nH]c2=O)CC1,PGXCRWFLHRYZRL-UHFFFAOYSA-N
-rxn:2:107980:121598,CC(C1CC1(F)F)n1ncc(C2CCC2)c1NC(c1cccc(S(C)(=O)=O)c1)C1CC1,OCIGSYVLUCWNQK-UHFFFAOYSA-N
-rxn:2:107980:153993,CC(C1CC1(F)F)n1ncc(C2CCC2)c1NC1CCCc2c(-c3cnn(S(C)(=O)=O)c3)cccc21,LCVMRTDKHSOOPX-UHFFFAOYSA-N
-rxn:2:109142:111942,CCCS(=O)(=O)n1cc(NC(CN(C)C)c2cc(C(C)C)cc3c2OCCCC3)cn1,JEEYGKWWTOOGTJ-UHFFFAOYSA-N
-rxn:2:109209:166005,CS(=O)(=O)c1cccc(N2CCC(NC3CCN(c4cc(C5CC5)nc(C5CC5)n4)C3)CC2)c1,SLONXDHGJVXDRK-UHFFFAOYSA-N
-rxn:2:109225:141967,CC1CCC(C)C(c2ccccc2NC2CC(C[Si](C)(C)C)C2(C)C)C1,FBJHNVVDVHMIFA-UHFFFAOYSA-N
-rxn:2:109582:154391,COC1(C(F)(F)CNC(C)CCCCn2c(=O)c3nc[nH]c3n(C)c2=O)CCC1,HMTQNDRMILIJKJ-UHFFFAOYSA-N
-rxn:2:109992:147241,CC(NC1COc2cnccc2C1N1CCOCC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,JTIRXFPPPWVSAU-UHFFFAOYSA-N
-rxn:2:110489:153537,Cc1ccc(C)c(C(Nc2cncnc2OC2CCCC(N(C)C)C2)C(C)S(C)(=O)=O)c1,ZZUZFQIITVYZFW-UHFFFAOYSA-N
-rxn:2:111326:78954,CCc1nc(C(NC(C#C[Si](C)(C)C)CCc2ccccc2)C2CCCCC2)n(C)n1,UAIDHJILKWWTQM-UHFFFAOYSA-N
-rxn:2:111378:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C(C)C,SWDSQMFWSYTKHZ-UHFFFAOYSA-N
-rxn:2:111378:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C(C)C,OOEDYNUEGFMPCY-UHFFFAOYSA-N
-rxn:2:111580:122080,CC(CCS(=O)(=O)F)NC1CCN(c2ncc(C3CCN(C)C3)cn2)C1,WJTDUUPOWIZFKT-UHFFFAOYSA-N
-rxn:2:111692:149479,Cc1ccnc(N2CCC(CCNC3CC4(CCS(=O)(=O)CC4)Oc4ccc(C)cc43)CC2)c1,GUQDADOVTVNJEM-UHFFFAOYSA-N
-rxn:2:111704:141967,CC1(C)C(C[Si](C)(C)C)CC1NC(c1cccc(C2CC2)c1)C1CCC1,ZIIFPRHKGQEVPK-UHFFFAOYSA-N
-rxn:2:111865:75187,CC(C)(C)CCCCC(Nc1c(C2CCC2)c(C2CC2)nn1C(C)(C)C)c1ccccc1,UCGSLDZKAJNRCX-UHFFFAOYSA-N
-rxn:2:111941:154180,CC(C)C1C(CCNC2COc3cc(-c4cnn(S(C)(=O)=O)c4)ccc32)CCCN1C1CC1,JZSGWCSPGMOUKN-UHFFFAOYSA-N
-rxn:2:112123:135617,CCS(=O)(=O)c1cnc(NC(c2ccc(CN3CCOCC3)cc2)C2CC2)nc1C1CC1,NASUGIFZVWKCCE-UHFFFAOYSA-N
-rxn:2:112174:151806,CC(F)(F)C1CCN(c2ccc(NC(CS(C)(=O)=O)c3ccc4c(c3)CCC4)cn2)CC1,DZGHLFMPDVYZGH-UHFFFAOYSA-N
-rxn:2:112174:157231,CC(C)(C)c1nn(C(Nc2ccc(N3CCC(C(C)(F)F)CC3)nc2)C2CC2)c2c1C(=O)c1ccccc1-2,ABFSHBWBSXWGFS-UHFFFAOYSA-N
-rxn:2:112174:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(N2CCC(C(C)(F)F)CC2)nc1,KPAJBIRUNPHUIE-UHFFFAOYSA-N
-rxn:2:113124:137446,O=S(=O)(F)c1ccc(C#CCNC2CCN(c3cc(N4CCCCCC4)ncn3)C2)cc1,BYZNIXVCVQWGIB-UHFFFAOYSA-N
-rxn:2:113238:107906,CC(C)c1cc(=O)[nH]c(C2(NC(c3ccccc3)C(F)N3CN(F)C=N3)CCCCC2)n1,LZDXQFWJLPEXDW-UHFFFAOYSA-N
-rxn:2:113632:147241,CC(Nc1cc(N2CCN(C)CC2)nc(C2CC2)n1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,AQPIDBAEQFVPAK-UHFFFAOYSA-N
-rxn:2:114047:107703,COc1ccc(C(CS(C)(=O)=O)NCC2CCN(Cc3cc(C4CC4)n[nH]3)CC2)cc1,UTXKVDRKCIIUAT-UHFFFAOYSA-N
-rxn:2:114217:170893,Cc1ccc(C(C)Nc2c(S(C)(=O)=O)cnn2C(C)C(C)(C)C)cc1-c1ccc(N2CCCCC2)nc1,XHUPTGISQFQXOK-UHFFFAOYSA-N
-rxn:2:114442:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2CCCN(CCc3ccncc3)C2)cc1,VXFVSSUYEJEALB-UHFFFAOYSA-N
-rxn:2:114544:103860,CC1CCCCN1c1ccc(CNC2CC(C)(C)Cc3c2ccn3C2CC2(C)C)cn1,JFLIPUNWYIHQAP-UHFFFAOYSA-N
-rxn:2:114826:75187,CC(C)(C)CCCCC(Nc1c(C(C)(C)C)c(C2CCC2)nn1C1CC1)c1ccccc1,OXVNCNZMSKCADV-UHFFFAOYSA-N
-rxn:2:114983:78954,CCc1nn(C2CCN(C)CC2)cc1CNC(C#C[Si](C)(C)C)CCc1ccccc1,OKHRYFMSLUQHIJ-UHFFFAOYSA-N
-rxn:2:115324:91308,CCC(Nc1cnn(CC(C)(C)C)c1C1CC1)C1CCC(F)(F)CC1,MLOFVWIPKONZTI-UHFFFAOYSA-N
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-rxn:2:128736:158184,Cc1ccc2c(c1)OC1(CCS(=O)(=O)CC1)CC2Nc1cccnc1N1CCCN(C)CC1,HUTKZFQRDPFZIV-UHFFFAOYSA-N
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-rxn:2:129706:161891,Cc1ccc(C)c(C(C#CN2CCN(C)CC2)Nc2[nH]nc(C3CCCC3)c2S(C)(=O)=O)c1,PGTOHKVRGFQJFP-UHFFFAOYSA-N
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-rxn:2:132258:131168,Cc1cccc(C(Nc2[nH]ncc2SC23CC4CC(CC(C4)C2)C3)C(C)S(C)(=O)=O)c1,IUODXQXHNIZGEN-UHFFFAOYSA-N
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-rxn:2:133922:159916,COc1ccc(C(NCCCc2ccccc2S(=O)(=O)F)C23CN4CN(CN(C4)C2)C3)cc1,LAVMZUGJBBYWSN-UHFFFAOYSA-N
-rxn:2:134766:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCc2cccc(N3CCS(=O)(=O)CC3)c2)c1,AMLZNIABTMTTBN-UHFFFAOYSA-N
-rxn:2:134766:112995,Cc1nc(N2CCCC2)ncc1C(CCN(C)C)NCc1cccc(N2CCS(=O)(=O)CC2)c1,FMZIRTZTFBVQJT-UHFFFAOYSA-N
-rxn:2:134766:122248,CCCN1CCCOc2ccc(C(C)NCc3cccc(N4CCS(=O)(=O)CC4)c3)cc21,AUPBUOSXUBOBRK-UHFFFAOYSA-N
-rxn:2:135565:163743,CS(=O)(=O)c1cccc(C(NCCC2CCN(c3ncc(C4CCC4)cn3)C2)C2CCC2)c1,VUWDDCPEYJLQQP-UHFFFAOYSA-N
-rxn:2:135565:166005,CS(=O)(=O)c1cccc(N2CCC(NCCC3CCN(c4ncc(C5CCC5)cn4)C3)CC2)c1,PNMPEGCFWZQHEM-UHFFFAOYSA-N
-rxn:2:135681:117068,CCCC(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)c1cc(C)cc2c1OCCCC2,OTKUFTOUOUUXKY-UHFFFAOYSA-N
-rxn:2:135681:134221,CCC(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)c1cnc(N2CCN(C)CC2)cc1C,HVWGUTCWHLPFNY-UHFFFAOYSA-N
-rxn:2:135778:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCc1nn(CC2CC2(F)F)c2c1C1CC1C2,PUOZIEIUYWIAQF-UHFFFAOYSA-N
-rxn:2:136267:107703,COc1ccc(C(CS(C)(=O)=O)NCCCC2CCCCC2(F)F)cc1,IQHILYGFILSMEA-UHFFFAOYSA-N
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-rxn:2:136635:78354,CN1CCN(c2cc(N3CCC(NC4COc5c4cccc5S(C)(=O)=O)C3)ncn2)CC1,NAWYHFMYDRMXDO-UHFFFAOYSA-N
-rxn:2:136758:71152,CCOC1CCN(CC(Nc2ccc(C#C[Si](C)(C)C)nc2OC)c2ccccc2)CC1,QYDYXWXBDFQCDQ-UHFFFAOYSA-N
-rxn:2:137165:118123,CCS(=O)(=O)Cc1cnc(NC(c2ccc(CN3CCSCC3)cc2)C2CCCC2)s1,OMHRAUWPLQIDKO-UHFFFAOYSA-N
-rxn:2:138196:147241,CC(Nc1ccc(N2CCN(C)CC2)cn1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,BJWNKASTAJQSBT-UHFFFAOYSA-N
-rxn:2:139423:82688,CCc1cc(C(CC2=NCCO2)Nc2cnn(C3CCS(=O)(=O)CC3)c2CC)ccc1OC,VYQAURSXLIMNGN-UHFFFAOYSA-N
-rxn:2:139616:107703,COc1ccc(C(CS(C)(=O)=O)NCCN2CCC(N(C)C)CC2)cc1,URMOEXGAYNWDPN-UHFFFAOYSA-N
-rxn:2:139988:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC(c2cccc(S(C)(=O)=O)c2)C2CC2)cc1,ZGDPIFYGXLEECP-UHFFFAOYSA-N
-rxn:2:140210:166079,CC(Nc1ccncc1N1CCCCCC1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,UGZRRGDUPRTFIV-UHFFFAOYSA-N
-rxn:2:140322:162580,CCC(Nc1ccc(N2CCN(CC)CC2)nc1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,FEZDBSOKEMNMGY-UHFFFAOYSA-N
-rxn:2:140411:154391,COC(CNC(C)CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)C1CCC(F)(F)CC1,SKFHCYIZOGZKTO-UHFFFAOYSA-N
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-rxn:2:142764:136378,CCCc1nn(-c2ccncc2C2CC2)cc1NC1CCN(CCOS(C)(=O)=O)CC1,FYXCAXNNZHPIRO-UHFFFAOYSA-N
-rxn:2:144789:135500,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)Nc2ncnc3c2[nH]c(=O)n3C2CCCCC2)c1,YUEWWDOLNAFXON-UHFFFAOYSA-N
-rxn:2:147289:142689,CCC(CC)c1cc2[nH]c(C(C)NC(C#CN(C)C)c3cc4c(cc3C)OCCO4)cc(=O)n2n1,UEDBYATVIIAAKN-UHFFFAOYSA-N
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-rxn:2:163105:83879,CCS(=O)(=O)c1cc(NC(c2ccc(SC)cc2)C(C)(C)N2CCOCC2)cn(C2CC2)c1=O,AOAILSSLTDAPIT-UHFFFAOYSA-N
-rxn:2:168240:109142,CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC(CN(C)C)c1cc(C(C)C)cc2c1OCCCC2,NHHMZOZLLBQGBE-UHFFFAOYSA-N
-rxn:2:65944:141967,CC1(C)C(C[Si](C)(C)C)CC1NCc1ccc2c3c1CCCN3CCC2,GYJAARRFZQCSKT-UHFFFAOYSA-N
-rxn:2:66021:144179,CC(NCC1(CS(C)(=O)=O)CCCC1)c1ccc(-c2ccc(C3CC3)nc2)c2c1OCO2,WDUPNALCELBREO-UHFFFAOYSA-N
-rxn:2:66244:99693,CC(NCC1(N(C)C)CCC(C(C)(C)C)CC1)c1ccn(C2CC2)n1,YGGIWDAUZSPSOH-UHFFFAOYSA-N
-rxn:2:66420:148780,CC(Nc1c(S(C)(=O)=O)cnn1C1CCCCC1)c1ncc(-c2ccccc2CN2CCOCC2)cn1,NAEACMRWQDHWQX-UHFFFAOYSA-N
-rxn:2:66427:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CCC2)cnn1CC1CC1(F)F,MAEQBKZAUKIJAG-UHFFFAOYSA-N
-rxn:2:67410:126600,Cc1ccc(C(C)Nc2cccc(N3CCN(C)CC3)c2OC(C)C)c(OS(=O)(=O)F)c1,GIJBIKKSOUUYLI-UHFFFAOYSA-N
-rxn:2:68541:155159,CN1CCN(c2ncccc2CNC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)CC1,ZAKACRHQDRPCJA-UHFFFAOYSA-N
-rxn:2:68833:76803,CCS(=O)(=O)CCCC(Nc1ccc(N2CC(OC)C2)nc1)C(C)(C)C,CRDAKBWLZHNPLS-UHFFFAOYSA-N
-rxn:2:69141:118123,CCS(=O)(=O)c1cnc(NC(c2ccc(CN3CCSCC3)cc2)C2CCCC2)c(C)c1,GFGDFLBCELCHLE-UHFFFAOYSA-N
-rxn:2:69296:169089,CCCCCC(Nc1c(C2CC2)c(C(C)(C)C)nn1CC(C)(C)C)c1c(C)[nH]c2ccccc12,IQLGJYRPKDGXRP-UHFFFAOYSA-N
-rxn:2:69766:107703,COc1ccc(C(CS(C)(=O)=O)NCCC2CN(Cc3cccnc3)C(C)CN2C)cc1,XJPVDETXNZKECU-UHFFFAOYSA-N
-rxn:2:69816:107703,CCCC1CCN(CCNC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,UYLRXLFGSLCHMP-UHFFFAOYSA-N
-rxn:2:70113:109459,CCC(CC1CCCC1)NCC(C)(C)CC1CCCC1,CBHINBQKNBGGLO-UHFFFAOYSA-N
-rxn:2:70135:162583,Cc1nnc(C2CCC(NC(c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)C3CC3)CC2)n1C1CCCC1,MFRADFWHLOGWIU-UHFFFAOYSA-N
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-rxn:2:70251:149518,CC(NCCCN1CCC(N(C)C)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,WWIYLHBWTLPWDZ-UHFFFAOYSA-N
-rxn:2:70295:86446,CCC(NC1CC2(c3ccccc3)CCC1(C)C2(C)C)c1ccc(N2CCCC(C)C2)cc1,BXDQONHLTFEOQT-UHFFFAOYSA-N
-rxn:2:70623:103107,CCC(NCC(C)(C)S(=O)(=O)c1cnn(C)c1)c1cnc(N2CCN(C)CC2)c(C)c1,IMPGKHIFHXCYDV-UHFFFAOYSA-N
-rxn:2:70683:103107,CCC(Nc1ccc(OS(=O)(=O)F)cc1COC)c1cnc(N2CCN(C)CC2)c(C)c1,MNTAECJHIYTRQD-UHFFFAOYSA-N
-rxn:2:70683:106970,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(c2cc(N3CCCC3)ncn2)CC1,DQRBVVMPHYWWIK-UHFFFAOYSA-N
-rxn:2:70683:134221,CCC(Nc1ccc(OS(=O)(=O)F)cc1COC)c1cnc(N2CCN(C)CC2)cc1C,FTTQCRFSDDQPLQ-UHFFFAOYSA-N
-rxn:2:70685:93198,O=S(=O)(F)C1CC(Nc2nnn(CC3C4CC5CC(C4)CC3C5)n2)C1,SEAZFKDJCBDUNS-UHFFFAOYSA-N
-rxn:2:71491:168741,CC(=O)c1ccc(C)c(C2C(CSC(C)Nc3nc(N4CCN(C)CC4)cc(=O)[nH]3)C2(F)F)c1,NAVFIEZJMDYPRZ-UHFFFAOYSA-N
-rxn:2:72289:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)N[C@H](C)C1CCC(F)(F)CC1,KVIXQDWYTUFTLV-ARLHGKGLSA-N
-rxn:2:72853:70683,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(c2cc(CC(C)(C)C)ncn2)CC1,RUDDNAHBGXGMLU-UHFFFAOYSA-N
-rxn:2:73692:106726,CCc1nc(NC2CCc3cc(N4CCC(F)(F)CC4)ccc32)ccc1C#C[Si](C)(C)C,OZBQEOPCAVGBHH-UHFFFAOYSA-N
-rxn:2:73911:136664,CCOc1ccc(C(CS(C)(=O)=O)NCCC2CCC(F)(F)CC2)cc1,PNRNPTFJOOHZRI-UHFFFAOYSA-N
-rxn:2:74153:153335,CCS(=O)(=O)c1ccc(C(Nc2cccnc2N2CCC(N(C)C)CC2)C2CCCC2)cc1,FSZASKYQKKRQCC-UHFFFAOYSA-N
-rxn:2:74461:110753,CCC(NCc1ccc(CN2CCS(=O)(=O)CC2)o1)C1CCN(c2ccc3c(c2)OCO3)C1,HJFROYVXGOKOAD-UHFFFAOYSA-N
-rxn:2:74801:151289,CC(C)(C)[Si](C)(C)OC1CC(NC2CCc3cc(-c4ccc5c(c4)OCO5)ccc3C2)C1,FHYXTHFWTJTSGE-UHFFFAOYSA-N
-rxn:2:74925:141967,CC1(C)C(C[Si](C)(C)C)CC1NCC(C1CCCC1)N1CCc2ccccc21,PJMCGRHJBFOTLW-UHFFFAOYSA-N
-rxn:2:75075:156851,CCc1nc2cc(C(CNCC(OC)C3CCC(F)(F)CC3)N(C)C)ccc2n1C,QTIIPAFIVGWWPD-UHFFFAOYSA-N
-rxn:2:75105:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCC(F)(F)CN1CCN(C)CC1,YQUDWTSMYNNDPQ-UHFFFAOYSA-N
-rxn:2:75817:78954,C[Si](C)(C)C#CC(CCc1ccccc1)NCCC1(n2cncn2)CCS(=O)(=O)CC1,BFADUTZDJSJMGU-UHFFFAOYSA-N
-rxn:2:75831:102337,CC1(C)C(NCc2nccc(N3CCS(=O)(=O)CC3)n2)CCN1c1ccc2c(c1)OCCO2,ZKCMMCGMLASSPN-UHFFFAOYSA-N
-rxn:2:76014:144703,CC(C)(C)[Si](C)(C)OCC1CC(NCC2C(c3cnc4cn[nH]c4c3)C2(F)F)C1,HRKNITBAEOPVKT-UHFFFAOYSA-N
-rxn:2:76069:107703,CCN(CCNC(CS(C)(=O)=O)c1ccc(OC)cc1)C1CCSCC1,PXNUDHHRVLYOSA-UHFFFAOYSA-N
-rxn:2:76229:122030,CC(C)C(NCC1CCC[Si](C)(C)CC1)c1ccn(CC2CCC2)n1,AQGNNVSOPSYZEO-UHFFFAOYSA-N
-rxn:2:76290:153537,Cc1ccc(C)c(C(NC2CCCC2c2noc(C3CCCC3)n2)C(C)S(C)(=O)=O)c1,WHCWLUCZKLDVKH-UHFFFAOYSA-N
-rxn:2:76335:90147,CC(C1CC1)n1ncc(C2CCCCC2)c1NC(c1ccc(S(=O)(=O)F)cc1)C1CC1,OWJYTXZUJPANMD-UHFFFAOYSA-N
-rxn:2:77252:73911,CCOc1ccc(C(CS(C)(=O)=O)NCc2nc(C3(S(C)(=O)=O)CCCC3)no2)cc1,OKIXYEHQUNSETH-UHFFFAOYSA-N
-rxn:2:77389:78954,CC(C)(C)C1CCC(n2cc(CNC(C#C[Si](C)(C)C)CCc3ccccc3)nn2)CC1,PUGTYXHFKLOSCJ-UHFFFAOYSA-N
-rxn:2:77777:106165,C[C@@H](NC1CC2CCCC(C1)N2c1ccccc1)C1CCC(C)(C)CC1,KOABRNYUCWDDGP-PYENRMDFSA-N
-rxn:2:78163:107703,COc1ccc(C(CS(C)(=O)=O)NCCC#CCN2CCN(C)CC2)cc1,XKJORFHZPMTXCX-UHFFFAOYSA-N
-rxn:2:78373:163379,CCS(=O)(=O)c1cncc(NC2c3cc(C)ccc3OCCC2CN2CCN(C)CC2)c1,YFWGHCYYSGJVQL-UHFFFAOYSA-N
-rxn:2:78551:103551,CCC(NCCc1c(C2CC2)n[nH]c1C1CC1)c1cccc(O[Si](C)(C)C(C)(C)C)c1,YXJIWRGUWQJIOZ-UHFFFAOYSA-N
-rxn:2:79225:127780,CCC(Nc1cc(=O)[nH]c(=O)n1CCCN(C)C)c1ccc(N2CCC(F)(F)CC2)cc1,ITZOWFPBRUNWEW-UHFFFAOYSA-N
-rxn:2:79331:144920,CC(C)Oc1cccc(-c2cn[nH]c(=O)c2C(C)NCC2(CCN(C)C)CC(F)(F)C2)c1,LGBGLLYXLWFVBA-UHFFFAOYSA-N
-rxn:2:80083:107304,CSc1nnc(C2CC(NCC3(N(C)C)CCC(F)(F)CC3)C2)n1C,RPLUPQCHBRYTTO-UHFFFAOYSA-N
-rxn:2:80139:137294,CCC(Nc1[nH]nc(N2CCOCC2)c1S(C)(=O)=O)c1ccc(N2CCC(F)CC2)cc1,JJVVUBHBQDPFGA-UHFFFAOYSA-N
-rxn:2:80548:123413,CCC(C)(C)c1cc(N2CCC(NCCC#Cc3ccc(S(=O)(=O)F)cc3)CC2)ncn1,BJEOJYJHXYDYFD-UHFFFAOYSA-N
-rxn:2:80587:107703,CCC1CCN(CCCNC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,XNWAMOAPLKCOTJ-UHFFFAOYSA-N
-rxn:2:81015:106138,CCC(NCCC1(CS(C)(=O)=O)CC1)c1ccc(N2CC[C@H](F)C2)cc1,TXHRDIHURANCJM-KKFHFHRHSA-N
-rxn:2:81395:106485,COc1ccc(OC)c(C(CC2=NCCO2)NCC2(C)CS(=O)(=O)C2)c1,ANTUIXMCIQUFFK-UHFFFAOYSA-N
-rxn:2:81696:144484,CC(C)(C)[Si](C)(C)OC1CCC(NCC2C(c3cnc4[nH]ncc4c3)C2(F)F)CC1,CWCNMOYAQPKLPV-UHFFFAOYSA-N
-rxn:2:81696:144561,CC(C)(C)[Si](C)(C)OC1CCC(NCC2C(c3n[nH]c4ncccc34)C2(F)F)CC1,WGOLKXZOMRYXTD-UHFFFAOYSA-N
-rxn:2:81696:144703,CC(C)(C)[Si](C)(C)OC1CCC(NCC2C(c3cnc4cn[nH]c4c3)C2(F)F)CC1,BKFZSAMDIOCVOA-UHFFFAOYSA-N
-rxn:2:81696:154999,CC(C)(C)[Si](C)(C)OC1CCC(NCC2C(c3cnc4cc[nH]c4c3)C2(F)F)CC1,PGRLEXQNBXGFBF-UHFFFAOYSA-N
-rxn:2:82231:153335,CCS(=O)(=O)c1ccc(C(Nc2c(C3CCCC3)cccc2C2CCCC2)C2CCCC2)cc1,WDTGOJVZJSBOLT-UHFFFAOYSA-N
-rxn:2:82378:82250,CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(Nc1nc(COC3CCC3)cs1)C2,LDLXIWZACHXXOH-QKOBRPKFSA-N
-rxn:2:82579:125295,CCOc1cc(N2CCN(C)CC2)ccc1NC1CC(CS(=O)(=O)F)C1,BRWKEENGUNSKNQ-UHFFFAOYSA-N
-rxn:2:82615:112995,Cc1nc(N2CCCC2)ncc1C(CCN(C)C)Nc1ccc(N2CCS(=O)(=O)CC2)cc1,SEBLRUHENXQVHJ-UHFFFAOYSA-N
-rxn:2:82615:158083,COc1cc(C(CC2=NCCO2)Nc2ccc(N3CCS(=O)(=O)CC3)cc2)c(OC)cc1C,AOIFRBMMLVSWTH-UHFFFAOYSA-N
-rxn:2:82615:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1ccc(N3CCS(=O)(=O)CC3)cc1)CC2,HZGYRHWXQGHZQG-UHFFFAOYSA-N
-rxn:2:82688:120322,CCc1cc(C(CC2=NCCO2)NCC2(CS(=O)(=O)F)CC2)ccc1OC,HBHRTLFAOBGCFD-UHFFFAOYSA-N
-rxn:2:82688:84217,CCc1cc(C(CC2=NCCO2)NCC(C)(C)CS(=O)(=O)F)ccc1OC,JGEBMZNJMJPTJM-UHFFFAOYSA-N
-rxn:2:84015:95370,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCCc1ccc(S(=O)(=O)F)cc1)C2,LQPHQEVLJJQTME-KVWWFHCMSA-M
-rxn:2:84251:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2(c3ncc[nH]3)CCC(F)(F)CC2)cc1,YSQJSLZOAHXTSH-UHFFFAOYSA-N
-rxn:2:85378:135500,CC(C)CSC(=N)C(F)(F)c1cccc(C(C)Nc2cc(=O)[nH]c(=O)n2C2CCCCC2C)c1,IEPGBXJFROAXON-UHFFFAOYSA-N
-rxn:2:85884:126033,CC(C)N1CCCc2ccc(C(NCCCC[Si](C)(C)C)C3CC3)cc21,WQVZBFDTZVFQAC-UHFFFAOYSA-N
-rxn:2:86034:117155,Cc1nnc(C(NC(c2ccccc2)C(C)S(C)(=O)=O)C2C3CC4CC(C3)CC2C4)[nH]1,KQLCVWYKCBTUDL-UHFFFAOYSA-N
-rxn:2:86337:147241,CC(Nc1nccnc1N1CCN(C)CC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,NMLLHBWMALXVGU-UHFFFAOYSA-N
-rxn:2:86363:78954,CC(C)(C)c1cc(CN2CCC(NC(C#C[Si](C)(C)C)CCc3ccccc3)C2)[nH]n1,YOZRYUKWLFBBBW-UHFFFAOYSA-N
-rxn:2:86703:129974,CC(NCc1ccc(CS(=O)(=O)F)cc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,DLOJJDGTJIQNJN-UHFFFAOYSA-N
-rxn:2:86840:70685,CCCN1CCN(c2ccc(NC3CC(S(=O)(=O)F)C3)cc2OC)CC1,ZDLRZWIBDOCZLI-UHFFFAOYSA-N
-rxn:2:87110:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(Nc1cc(S(C)(=O)=O)ccc1OCC1CC1)C2,CIXDZNIWIBDYNP-UHFFFAOYSA-M
-rxn:2:87110:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)Nc2cc(S(C)(=O)=O)ccc2OCC2CC2)cc1,ZVCFRKQOAGNSPT-UHFFFAOYSA-N
-rxn:2:87110:168624,CS(=O)(=O)CC(Nc1cc(S(C)(=O)=O)ccc1OCC1CC1)c1ccc(S(C)(=O)=O)cc1,YOCGEYCXTWMIML-UHFFFAOYSA-N
-rxn:2:87110:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(Nc1cc(S(C)(=O)=O)ccc1OCC1CC1)C2,CIXDZNIWIBDYNP-ZJKHUDDUSA-M
-rxn:2:87219:147241,CC(Nc1cnc(N2CCOCC2)nc1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,QIMWDNBTZICIAD-UHFFFAOYSA-N
-rxn:2:88336:107703,COc1ccc(C(CS(C)(=O)=O)Nc2ccc3c(n2)N(C2CCN(C)CC2)CCO3)cc1,NRCSNLLNRCHXSP-UHFFFAOYSA-N
-rxn:2:88336:98739,CN1CCC(N2CCOc3ccc(NC(CCN4CCS(=O)(=O)CC4)C(C)(C)C)nc32)CC1,NFYOONZAOAEZHV-UHFFFAOYSA-N
-rxn:2:88502:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)Nc2ccc(N3CCC(F)(F)CC3)nc2)cc1,ZHBKHKVDADHIHY-UHFFFAOYSA-N
-rxn:2:89375:78954,CCOCc1cn(C2CCC(NC(C#C[Si](C)(C)C)CCc3ccccc3)CC2)nn1,KKPHBONWOGMEIH-UHFFFAOYSA-N
-rxn:2:89744:85874,CCS(=O)(=O)c1cnccc1NC(c1ccc(CN2CCN(C)CC2)cc1)C1CCCC1,FYHJDAWBMXZKRN-UHFFFAOYSA-N
-rxn:2:89818:107393,CC1Cc2nc(N3CCN(C)CC3)ncc2C(Nc2[nH]nc(C3CC3)c2S(C)(=O)=O)C1,SIGHYTODAHIXAX-UHFFFAOYSA-N
-rxn:2:89818:120015,CCCC(C#CN1CCN(C)CC1)Nc1[nH]nc(C2CC2)c1S(C)(=O)=O,BWPVOTLBRUJHIR-UHFFFAOYSA-N
-rxn:2:90515:164204,CC(N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)c1csc(-c2cnn(C3CCOCC3)c2)c1,OOQUBRXQWDRTTP-HJJVPOFPSA-N
-rxn:2:90515:91574,CCCCC(N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)c1ccc2c(c1)OCO2,UBTIHALWRYQAMK-JGHJKYEYSA-N
-rxn:2:90636:149518,CO[C@@H]1CCN(c2nccc(NC(C)c3ccc(N4CCS(=O)(=O)CC4)cc3)n2)C[C@@H]1F,FMMZZNUKOLLWPS-KHMGXFTDSA-N
-rxn:2:90636:162580,CCC(Nc1ccnc(N2CC[C@@H](OC)[C@@H](F)C2)n1)c1ccc(N2CCS(=O)(=O)CC2)nc1,HJPDUGPAUFBHQY-LJJQOFDWSA-N
-rxn:2:90671:141967,CC1(C)C(C[Si](C)(C)C)CC1NC(c1ccccc1)C1CCCCCC1,PFDGZSREKWQNQC-UHFFFAOYSA-N
-rxn:2:90876:107703,CCN(OC)C1CCC(NC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,SGTVXHBOVGYBJK-UHFFFAOYSA-N
-rxn:2:91010:136330,CCN(CC)c1cc(N2CCC(Nc3ccc(N4CC(OC)C(OC)C4)nc3)C2)ncn1,GZSUJGGSVLBKGD-UHFFFAOYSA-N
-rxn:2:91222:75187,CC(C)(C)CCCCC(Nc1c(C2CC2)c(C(C)(C)C)nn1C1CCCC1)c1ccccc1,DDYRZRVGDIFYTA-UHFFFAOYSA-N
-rxn:2:92143:140699,CCCC(CS(=O)(=O)F)Nc1ccc(N2CCN(CCOC)CC2)nc1,SPLCBBZJSTXURW-UHFFFAOYSA-N
-rxn:2:92211:163743,CS(=O)(=O)c1cccc(C(Nc2cccnc2N2CCN(C3CCC3)CC2)C2CCC2)c1,BSXUVKURQGGUDR-UHFFFAOYSA-N
-rxn:2:92741:140472,CCCC(NC1CCC(CS(=O)(=O)F)CC1)c1ccc(OC)c(OC)c1,KQKYCIXHCYJUCP-UHFFFAOYSA-N
-rxn:2:93213:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCCn1cnnc1C1CCC(F)(F)CC1,AUTGMZKSVPZUBV-UHFFFAOYSA-N
-rxn:2:93459:78954,CCc1c(C2CC2)nn(C2CCN(C)CC2)c1NC(C#C[Si](C)(C)C)CCc1ccccc1,ZGQVTDFYKMRHLE-UHFFFAOYSA-N
-rxn:2:94303:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCCC2CC(F)(F)C2)cc1,MFDMPSOMIIFDFG-UHFFFAOYSA-N
-rxn:2:94600:166005,CS(=O)(=O)c1cccc(N2CCC(NCCC3C(c4cccc5c4OCO5)C3(F)F)CC2)c1,NQWUVXXOOPAMSQ-UHFFFAOYSA-N
-rxn:2:94694:127780,CCC(NCC1CCC(C)(C)CN1C)c1ccc(N2CCC(F)(F)CC2)cc1,JJHODCQSXOLRLH-UHFFFAOYSA-N
-rxn:2:95048:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCCCN2CCC(F)(F)CC2)cc1,NMMHZAMCKMCVDX-UHFFFAOYSA-N
-rxn:2:95862:106165,C[C@H](NC1CC2CCCC(C1)N2c1ccccc1)C1CCC(C)(C)CC1,KOABRNYUCWDDGP-GKYSZTIZSA-N
-rxn:2:96642:129974,CCCC(NCc1ccc(CS(=O)(=O)F)cc1)C1CCN(C2CC2)CC1,RRRNVRSASHTTQR-UHFFFAOYSA-N
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-rxn:2:97109:107703,CCCCN1CCC(CNC(CS(C)(=O)=O)c2ccc(OC)cc2)CC1,XIMLYTARPRANFE-UHFFFAOYSA-N
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-rxn:2:94067:162085,COc1cccc(OC)c1C1C(CNC(c2cnc[nH]2)c2cccc(C3=NC(C)(C)CO3)c2C)C1(F)F,BCWNZRQIIOKWBA-UHFFFAOYSA-N
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-rxn:3:8620:53780:134358,CC(=[Se])NC(=O)c1ncccc1OCCn1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,JFHTUXZJSSFIQL-UHFFFAOYSA-N
-rxn:3:8634:43044:101181,CN(C)C1(c2cn(CC#Cc3nccc(C(=O)Nc4ccc5c(c4)S(=O)(=O)CCO5)c3F)nn2)CCC1,OPRAPSUPLJWNCE-UHFFFAOYSA-N
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-rxn:3:8634:61928:120322,CC(C)[C@H](C(=O)NCC1(CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CCC2)nn1,MYAIDLBEFSZZLN-OAHLLOKOSA-N
-rxn:3:8634:61928:90515,CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)n1cc(C2(N(C)C)CCC2)nn1,BKJGWJKQCYJEEO-SOLBZPMBSA-N
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-rxn:3:8634:62323:112703,CCOC1(CNC(=O)C(C)Cn2cc(C3(N(C)C)CCC3)nn2)CCS(=O)(=O)CC1,VGVPFMVXTWKCAR-UHFFFAOYSA-N
-rxn:3:8818:42684:70961,C[C@H](NC(=O)c1cccc(C#CCn2cc(C34CCC(F)(CC3)C4)nn2)n1)C12C3C4C5C3C1C5C42,OTAZUXPWQOVERO-RIVHBFPSSA-N
-rxn:3:8818:42685:102750,CC(NC(=O)c1ccc(C#CCn2cc(C34CCC(F)(CC3)C4)nn2)nc1)C12C3C4C5C3C1C5C42,DNHQQIZRALJURP-UHFFFAOYSA-N
-rxn:3:8818:42685:106065,C[C@@H](NC(=O)c1ccc(C#CCn2cc(C34CCC(F)(CC3)C4)nn2)nc1)C12C3C4C5C3C1C5C42,DNHQQIZRALJURP-BZWNORTDSA-N
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-rxn:4:173509:223991,CC(C)(C)OC(=O)c1cc(OCC2CC2)cc(-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)c1,OQKTVGZNSLVGGY-UHFFFAOYSA-N
-rxn:4:173596:222998,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(F)cc(C2CCCNC2)c1,IZKIDLVZQRILMT-UHFFFAOYSA-N
-rxn:4:173636:224270,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)ccc1OC)C2=O,OQWVNKRXAZQQBR-UHFFFAOYSA-N
-rxn:4:173653:222971,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)cc1)C2=O,PXARCQMDGDLCQT-UHFFFAOYSA-N
-rxn:4:173785:224412,COC(=O)c1cc(F)c(OCC(F)F)c(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1,PHYJEWXJMKBKBF-UHFFFAOYSA-N
-rxn:4:173870:224252,CCOC(=O)CC(=O)c1cc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)c(F)cc1F,GQYXSJATCDGYOE-UHFFFAOYSA-N
-rxn:4:173872:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1OCC(F)(F)C(F)F,JSJWHPPVIITFDD-UHFFFAOYSA-N
-rxn:4:174111:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)cc2)C1,VKMRNFRTORYCFZ-UHFFFAOYSA-N
-rxn:4:174196:224355,COc1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc1OCCC1OCCO1,IKAMJZRTQHBFHT-UHFFFAOYSA-N
-rxn:4:174373:222804,COC(=O)c1cc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)ccc1S(=O)(=O)c1ccccc1C(F)(F)F,PHWCLYVHCYXFOE-UHFFFAOYSA-N
-rxn:4:174406:225192,COC(=O)C1(c2ccc(-c3cc(OC4CCCCC4)ncc3F)cc2)CC(OC)(OC)C1,RLOCDNYGOWLZLE-UHFFFAOYSA-N
-rxn:4:174406:225201,COC(=O)C1(c2ccc(-c3ccc(OC4CCCC4)c(F)c3F)cc2)CC(OC)(OC)C1,PLFMUQWESVTFQR-UHFFFAOYSA-N
-rxn:4:174415:223559,CCc1cc(OCc2ccc(OC)cc2)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,WFIXEDVGBZYPCY-UHFFFAOYSA-N
-rxn:4:174431:224125,CC(C)Oc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)c1,MRMHVHDSTPGIMW-UHFFFAOYSA-N
-rxn:4:174495:222545,COc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1,GTFHCXUCGFIJPZ-UHFFFAOYSA-N
-rxn:4:174574:222789,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(F)ccc3NC(=O)OC(C)(C)C)cc1)C2=O,CDNFYROBSIZTJG-UHFFFAOYSA-N
-rxn:4:174605:222467,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(NC(=O)OC(C)(C)C)c4ccccc34)c1)C2=O,HBVNRGLUDWYNNZ-UHFFFAOYSA-N
-rxn:4:174801:223528,COc1ccc(OCC(F)F)cc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,ONGYVPSTDPZYFG-UHFFFAOYSA-N
-rxn:4:174890:223490,COC(=O)CS(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,JYYYKPWGFPTGMH-UHFFFAOYSA-N
-rxn:4:175118:223559,CC(=O)CCCc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,MAWFFZTYNSJMEK-UHFFFAOYSA-N
-rxn:4:175124:223529,CCOCc1c(OC)cccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,XYYVZNGDVMFKEB-UHFFFAOYSA-N
-rxn:4:175320:223712,CCOC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,YLVRTLNZZDQJNX-OXBRFIDXSA-N
-rxn:4:175628:223592,CC(=O)Oc1ccc(C(=O)c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)c2)cc1,VFJUMXAHQPZYTA-UHFFFAOYSA-N
-rxn:4:175985:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)c(OC4CCCCC4)c3)c(F)c2)CC1,BARNFVKXYQEGSG-MEMLXQNLSA-N
-rxn:4:176029:223606,Cc1cccc(C)c1C(=O)CCc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,HSJGGOVDISYODV-UHFFFAOYSA-N
-rxn:4:176050:224885,COc1cc(C2OCCCO2)c(-c2ccccc2CN2CCC(C)CC2)c(OC)c1OC,NDCADIJWBHYUJY-UHFFFAOYSA-N
-rxn:4:176168:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)cc1,LDNZARBMZINKKV-UHFFFAOYSA-N
-rxn:4:176291:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3cccc(F)c3)C4=O)cc2)c1,FHAAFFFDZTVEFX-UHFFFAOYSA-N
-rxn:4:176295:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C=C2Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1,HISLCYPOIKKZMZ-UHFFFAOYSA-N
-rxn:4:176734:223753,Cc1ccc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1OCCCN1CCN(C)CC1,JXBKJYNMECZBIP-UHFFFAOYSA-N
-rxn:4:177077:222466,COc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(C(F)(F)F)cc1OC,CJXCFFLELXRCAT-UHFFFAOYSA-N
-rxn:4:177170:223559,CCc1cc(C(=O)OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,ZWYMOVDYSCXGLS-UHFFFAOYSA-N
-rxn:4:177176:223650,C#Cc1cc(F)c(OC(C)C)c(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,QLGLMQFWFZWFSN-UHFFFAOYSA-N
-rxn:4:177232:223748,CCS(=O)(=O)c1ccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c(C(F)F)c1,FEHCMNDBCPXHHB-UHFFFAOYSA-N
-rxn:4:177318:223575,COC(=O)c1c(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc(OC)c1C,SJBZSYJSPLFDSX-UHFFFAOYSA-N
-rxn:4:177388:223753,Cc1ccc(-c2ccc(C(F)(F)F)c(OC(C)C)c2)cc1OCCCN1CCN(C)CC1,KYDFPCZZAIPRAQ-UHFFFAOYSA-N
-rxn:4:178295:224842,COC(=O)C1(c2cc(Cl)ccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)CCC(=O)CC1,SYVSTXIAGQFKHL-UHFFFAOYSA-N
-rxn:4:178330:225183,COC(=O)C1(c2ccc(-c3ccc(OC4CCCCC4)nc3F)cc2)CC2(C1)OCCO2,DVZDWLVNUVMZTE-UHFFFAOYSA-N
-rxn:4:178384:226508,Fc1nc(OCC2CC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,KGSNUVWCLAAODW-UHFFFAOYSA-N
-rxn:4:178384:226516,CCc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(=O)OC)n1,IYGAGVQWKUOUOU-UHFFFAOYSA-N
-rxn:4:178384:227922,CCc1cc(OC)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,XHMCWXAOGHTGTQ-UHFFFAOYSA-N
-rxn:4:178384:228685,COCc1cncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,PSGGXHMIQWLGDG-UHFFFAOYSA-N
-rxn:4:178384:229235,COc1ccsc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,XORBPFHKUZRRSK-UHFFFAOYSA-N
-rxn:4:178477:223536,COC(=O)c1cc2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2cc1OC,QGYUZYQPZCDLNH-UHFFFAOYSA-N
-rxn:4:178594:222854,COc1ccc(C2CCCNC2)cc1-c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,KLNNRBDFHASBKG-UHFFFAOYSA-N
-rxn:4:178597:225476,Cc1ccc(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cn2)cc1,BHFBJULRJGXLDI-UHFFFAOYSA-N
-rxn:4:178597:225639,CC1CCN(c2ncccc2-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)CC1,AHKPVFVKLFSKPF-UHFFFAOYSA-N
-rxn:4:178597:228591,CC(C)c1cnccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,UJOFTMKPIJRTCV-UHFFFAOYSA-N
-rxn:4:179795:223598,COc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1C1COC1,URCLJSZZMWCYSZ-UHFFFAOYSA-N
-rxn:4:180289:223811,COc1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc(C)cc1C1OCCO1,GIQJGRGVOAGVDX-UHFFFAOYSA-N
-rxn:4:180387:222465,COc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc(C2CCOCC2)c1,CQBLBYOPPFOGCP-UHFFFAOYSA-N
-rxn:4:180611:223814,O=C1c2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)ccc2CC1C(=O)C(F)(F)F,XWQFIBWZMYZANL-UHFFFAOYSA-N
-rxn:4:180734:223521,CC(c1cccc(-c2ccc3oc(C(=O)C(C)(C)C)cc3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,LTXNTUKQVACEDS-UHFFFAOYSA-N
-rxn:4:180792:222854,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCCNC4)ccc3OC)cc1C2=O,NEERQLWKVWHLIV-UHFFFAOYSA-N
-rxn:4:180815:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,MNASNBFPSIGKGA-UHFFFAOYSA-N
-rxn:4:182372:223562,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc1C2=O,NTDSONFCMQHMLG-GUCAGZRVSA-N
-rxn:4:182372:223888,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc1C2=O,LZPBTFSJTULGKL-CBHYQUCXSA-N
-rxn:4:182372:224285,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc1C2=O,KDKJOVNGZCFJIX-GBWRQWNLSA-N
-rxn:4:182374:222787,CC(=O)c1cc2c(cc1-c1ccc(NC(=O)OC(C)(C)C)cc1Cl)C(C)(C)CCC2(C)C,DUMWROICLYFVBP-UHFFFAOYSA-N
-rxn:4:182376:222856,COc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)C(=O)[C@@]1(C2)C[C@@H](C)[C@H](OC)[C@@H](C)C1,YETMIGTXQFZEDJ-UBHXRJOGSA-N
-rxn:4:182376:224125,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cc3C2=O)C[C@@H]1C,AFXNGKNKUPKLDY-MOEKIGNKSA-N
-rxn:4:182376:224974,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccccc4CN4CCN(C)CC4)cc3C2=O)C[C@@H]1C,LAGBFWWHVZWAQR-RSQCUOPESA-N
-rxn:4:182376:225262,COc1cc(C(=O)N(C)OC)ccc1-c1ccc2c(c1)C(=O)[C@@]1(C2)C[C@@H](C)[C@H](OC)[C@@H](C)C1,UAQGVGRBRRDZEU-GPNSRJIGSA-N
-rxn:4:183232:223712,COc1ccc(-c2ccc3c(c2)SC2(CCC2)CC3=O)cc1C12CC3CC(CC(C3)C1)C2,LULCPZJSACOOPO-UHFFFAOYSA-N
-rxn:4:183257:223712,COc1ccc(-c2ccc3c(c2)COC2(CCOCC2)O3)cc1C12CC3CC(CC(C3)C1)C2,BGWMTKUDKABPLA-UHFFFAOYSA-N
-rxn:4:183261:224349,O=C1CCC2(CC1)Cc1ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cc1C2=O,GBEBQUZNMLVYKL-UHFFFAOYSA-N
-rxn:4:183273:228313,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OC)n1,IYPZZDQGXOKWRX-UHFFFAOYSA-N
-rxn:4:183274:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,DFBCFJVANNVXSP-UHFFFAOYSA-N
-rxn:4:183274:225621,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccc1OC1CCOC1,PRHFLHJEPOTXQO-UHFFFAOYSA-N
-rxn:4:183274:228927,COc1nccc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,TUMSVPDUQQBDRI-UHFFFAOYSA-N
-rxn:4:183488:223505,CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,NFFXLBJVHRHGIC-UHFFFAOYSA-N
-rxn:4:183638:222697,CCN(CC)C(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(O)CC3)c2)ccc1OC(F)(F)F,IMIAXCNUTOUXNZ-UHFFFAOYSA-N
-rxn:4:183639:222796,COC(=O)C(C)(C(=O)OC)c1ccc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1[N+](=O)[O-],RVENPVFTJGCSTH-UHFFFAOYSA-N
-rxn:4:183693:225573,COC(=O)c1cc(-c2ccc(OC(F)(F)F)c(CN3CC(C(=O)OC)C3)c2)cc(C2CC2)c1,RIOOPMVGVCFXOU-UHFFFAOYSA-N
-rxn:4:183726:225207,CCCOc1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2C)ccc1C(=O)ON1C(=O)CCC1=O,MXOIPYIGUALRGK-UHFFFAOYSA-N
-rxn:4:184028:225427,CCCCOc1c(C)cc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1C,BSYWDANCBDHNMY-UHFFFAOYSA-N
-rxn:4:184073:226227,COCCCOc1ccc(-c2cccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,YWEZMNBDHSTXKX-UHFFFAOYSA-N
-rxn:4:184084:227059,COc1ccc(-c2c(C)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1C(C)C,HOCHQQGOHFJEKX-UHFFFAOYSA-N
-rxn:4:184090:223609,COC(=O)c1cc(-c2cc3c(c4ccccc24)-c2ccccc2C3(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,QAXHSXREKGNYFJ-UHFFFAOYSA-N
-rxn:4:184096:224284,COc1ccc(COc2ncc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cn2)cc1,YLFCGNPVDVMNFK-UHFFFAOYSA-N
-rxn:4:184099:226461,CC(=O)n1ccc2c(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cncc21,SEQUDBSTOORAAQ-UHFFFAOYSA-N
-rxn:4:184121:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cc(F)ccc3OCCCCN3C(=O)c4ccccc4C3=O)cc2)CC1,QGLFVPGEJASALN-UHFFFAOYSA-N
-rxn:4:184185:225263,COC(=O)c1cc(C(=O)OC)cc(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2OC(C)=O)c1,NILJFJNQRYZLSH-UHFFFAOYSA-N
-rxn:4:184187:225122,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cncc(O[Si](C)(C)C(C)(C)C)c3)ccc2S1(=O)=O,IJMXRRNUMXTZGB-UHFFFAOYSA-N
-rxn:4:184288:223660,CCOC(=O)COc1cncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,LNYIAMVJLJJSSE-UHFFFAOYSA-N
-rxn:4:184745:225745,CC(C)Cc1ccc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)F)c2)cc1[N+](=O)[O-],YLLUDRDOFRWYNU-UHFFFAOYSA-N
-rxn:4:184943:224162,CCN(CC)C(=O)C1(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2)CC1,CITJGSUIKFJABI-UHFFFAOYSA-N
-rxn:4:184964:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(N(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c3)c2)CC1,STBIXZPLUJWVIZ-UHFFFAOYSA-N
-rxn:4:185020:222636,CC(C)N(C(=O)Cc1ccccc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C(C)C,NTBKQBNHFPYEQM-HXUWFJFHSA-N
-rxn:4:185035:222937,O=C(NCC(F)(F)F)c1ccc(-c2ccc(OC[C@H]3CCCN(CC(F)F)C3)cc2)cc1,MIOXPNDYVRETCH-INIZCTEOSA-N
-rxn:4:185044:223768,CC(C)(C)OC(=O)N1CC(Oc2cc(Cl)cc(-c3cn(C(=O)OC(C)(C)C)c4cc(C#N)ccc34)c2)C1,WKNVPCJJTSNJAQ-UHFFFAOYSA-N
-rxn:4:185117:223815,O=C(CS(=O)(=O)c1cccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1)N1CCCC(C(F)(F)F)C1,YHWPTQMSAYOBHE-UHFFFAOYSA-N
-rxn:4:185136:222878,CC(C)(C)NC(=O)c1cc(-c2ccccc2CCCN2CCC(C(F)(F)F)CC2)ccc1F,TXBHQCFLCJZJSO-UHFFFAOYSA-N
-rxn:4:185165:222923,Cc1ccc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1S(=O)(=O)NC1CC1,AFRIQSQIRLWDHC-UHFFFAOYSA-N
-rxn:4:185198:224063,COC(=O)c1cc(-c2cc(C3CC3)cc(N3CCCC(C)C3)c2)ccc1CN1CCC(OC)CC1,DTEABCXNAZCTKP-UHFFFAOYSA-N
-rxn:4:185198:225126,COC(=O)c1cc(-c2cc(F)ccc2OCC2CCCO2)ccc1CN1CCC(OC)CC1,KUSPNDQGENEMHE-UHFFFAOYSA-N
-rxn:4:185209:222453,CCOc1cccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c1CN1CCC(C(F)(F)F)CC1,BXZLVHFQQLDFTE-UHFFFAOYSA-N
-rxn:4:185240:224960,COc1ccc(-c2cccc(OCC3CCN(CC4CC4)CC3)c2)cc1OC1CCCC1,FEPVGVUUDLHOTQ-UHFFFAOYSA-N
-rxn:4:185350:225336,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccc(COCC(F)(F)F)cc3F)c2)CC1,NRPXJPWLXSCDSU-UHFFFAOYSA-N
-rxn:4:185442:223279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(C3CCCN3)nc2)cc(C2COC2)c1,MOCPCUPGAYZNHV-UHFFFAOYSA-N
-rxn:4:185491:222637,CON=CC(C)C(=O)c1ccc2c(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)c(OC)ccc2c1,QANBVSKNQMXHMU-UHFFFAOYSA-N
-rxn:4:185496:224420,COC(=O)c1cn(C(=O)OC(C)(C)C)c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc12,XBPSUJBXGBRKRJ-UHFFFAOYSA-N
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-rxn:4:185591:225591,COC(=O)C1=Cc2cc(-c3cc(CN4CCCC4)ccc3F)ccc2N(Cc2ccc(OC)cc2)CCC1,NWTWAQQFZSYZFD-UHFFFAOYSA-N
-rxn:4:185626:226715,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2cnn(C(=O)OC(C)(C)C)c2)O1,LRCHEKTXRQJVSH-HVNZXBJASA-N
-rxn:4:185648:225077,COc1cc2cc(-c3ccc(S(=O)(=O)N(C(=O)C4CCCCC4)c4ccc5oc6c(c5c4)CCCC6)cc3)cnc2cc1OC,DPDBBMLVFCKFNK-UHFFFAOYSA-N
-rxn:4:185894:223888,COC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc(C(F)(F)F)c1C#N,IPBWOOALRUZSPR-UHFFFAOYSA-N
-rxn:4:185907:223695,COC(=O)c1c(C(F)(F)F)ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C#N,KWUNGDYOHOGFRJ-UHFFFAOYSA-N
-rxn:4:185970:222389,CCOC(=O)c1cc([N+](=O)[O-])ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,HBSLQPNARFDZCU-UHFFFAOYSA-N
-rxn:4:186722:224126,CCN1CCN(C(C)c2cccc(-c3ccc(OC)cc3C(=O)N3CC(C(F)F)C3)c2)CC1,CFCMVFVKBRKUKS-UHFFFAOYSA-N
-rxn:4:186797:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)ccc3OCC(=O)N3CCOCC3)cc2)CC1,FZDKAVGNQFHESA-YHBQERECSA-N
-rxn:4:186898:224484,CC(C)N(C(=O)c1ccccc1-c1cc(CN2CCOCC2)ccc1OC(F)(F)F)C(C)C,DNAUBUGERYPRLO-UHFFFAOYSA-N
-rxn:4:187075:224420,COc1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c(OC)c1C(=O)N1CCCC1,KAWYMAUVLKOZFK-UHFFFAOYSA-N
-rxn:4:187116:224973,Cc1cc(-c2cccc(CN3CCN(C)CC3)c2)c(OCC2CCOCC2)c([N+](=O)[O-])c1,XLHOYBLANVFIEZ-UHFFFAOYSA-N
-rxn:4:187185:224462,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc2)C1,CHYTYIUOFLJTTQ-UHFFFAOYSA-N
-rxn:4:187212:225283,CCC(C)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2F)cnc1C(F)(F)F,PICIZZKWJJTNKR-UHFFFAOYSA-N
-rxn:4:187231:222537,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1,APOHWXMLYMALDL-UHFFFAOYSA-N
-rxn:4:187271:222805,OC1CCN(c2cc(-c3ccc(C(F)(F)F)cc3CN3CCC(C(F)(F)F)CC3)cc(F)c2F)CC1,DZIVKAFWLKXBKU-UHFFFAOYSA-N
-rxn:4:187325:222395,COC(=O)c1cc(F)c(N2CCC(OC)CC2)cc1-c1cccc(C(=O)NC2CCC(O)CC2)c1,BAIDOSPRKQRWHH-UHFFFAOYSA-N
-rxn:4:187357:224690,COc1cc(-c2ccc(CN3CCC(=O)CC3)cc2F)cc(OC)c1CN1CCCCC1,YAFZBHAAZCYKAL-UHFFFAOYSA-N
-rxn:4:187385:225499,COc1cc(-c2ccc(C3CCCCC3)cc2F)cc(OC)c1CN1CCC(F)(F)CC1,USCYDEJLWSIJSS-UHFFFAOYSA-N
-rxn:4:187413:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(C2CCCN2C(=O)OC(C)(C)C)c1,DOMOYURVVOWRLS-UHFFFAOYSA-N
-rxn:4:187423:222948,COC(=O)c1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1CN1CCCCC1C,VPQHRUZKRWDCOS-UHFFFAOYSA-N
-rxn:4:187639:225155,Cc1ccc(N(C(=O)c2ccccc2-c2ccc(C(=O)N3CCOCC3)cc2)C2C=CS(=O)(=O)C2)cc1C,CYPDYAYHFJHZFY-UHFFFAOYSA-N
-rxn:4:187826:223884,COC(=O)c1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc2c1ccn2CC1CCC1,SRFOEVKBEFRZFW-UHFFFAOYSA-N
-rxn:4:187896:223866,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1ccccc1CN1C(C)(C)CCCC1(C)C,IWMUJJHZEBDLOF-UHFFFAOYSA-N
-rxn:4:187916:223800,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(OCc2ccccc2)cc(C(F)(F)F)c1,WAJUOAZZTCURJK-UHFFFAOYSA-N
-rxn:4:187916:225876,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(Cl)ccc1N1CCOCC1,RPNIPXXGSFLHLK-UHFFFAOYSA-N
-rxn:4:187916:225878,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(Cl)cc(N2CCOCC2)c1,XAQWAMDVWLZIID-UHFFFAOYSA-N
-rxn:4:187934:222774,COc1ccc(CN2Cc3cc(-c4ccc(F)c(CN5CCC(O)CC5)c4)ccc3OCC2=O)c(OC)c1,AVFNSNVHFSYBDN-UHFFFAOYSA-N
-rxn:4:187943:225452,COc1ccc(-c2ccc(OC3C=CCCC3)cc2)c2c1CCN(C(=O)OC(C)(C)C)CC2,LJBZFOJBHHKKRV-UHFFFAOYSA-N
-rxn:4:187943:226190,COc1ccc(-c2ccc(C3CCCC3)cc2F)c2c1CCN(C(=O)OC(C)(C)C)CC2,NBIIKRLDVGLNPD-UHFFFAOYSA-N
-rxn:4:187945:222838,COC(=O)C1=Cc2cc(-c3ccc(CNC(=O)C(C)(C)C)cc3)ccc2N(CC(C)C)CCC1,XUOZFORUFIBVRQ-UHFFFAOYSA-N
-rxn:4:187945:226059,COC(=O)C1=Cc2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2N(CC(C)C)CCC1,LYUGGNXFCOWVBG-UHFFFAOYSA-N
-rxn:4:187969:224160,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cccc21,GKGFZYQKLNNFAE-UHFFFAOYSA-N
-rxn:4:187999:225533,CCN(CC)Cc1cc(F)cc(-c2cc(OC)c3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1,QUYAZKQPWPVWGE-UHFFFAOYSA-N
-rxn:4:189445:223712,COC(=O)c1nc(C2CCC2)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,HXJHKQAUSWCRGG-UHFFFAOYSA-N
-rxn:4:189505:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)cc2)CC1,TYOFZXBZBABBSD-UHFFFAOYSA-N
-rxn:4:189507:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,GBBWAACDQXDMDD-UHFFFAOYSA-N
-rxn:4:189507:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,BINWXUFOOQTEDU-UHFFFAOYSA-N
-rxn:4:189507:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc2)CC1,DBKOLCPFNSPLSU-UHFFFAOYSA-N
-rxn:4:189507:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,NTDDBRKMQNJZJI-UHFFFAOYSA-N
-rxn:4:189507:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,VEIKLIZIAOPNKT-UHFFFAOYSA-N
-rxn:4:189704:224283,COC(=O)C1CC(=O)N(c2ccccc2-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)C1,GDZMUKBSHVWVNA-UHFFFAOYSA-N
-rxn:4:189864:225176,O=C1CCCCN1c1ccc(OC(F)(F)F)c(-c2ccc(CN3CCOCC3)c(Cl)c2)c1,KOWRCLHELVWXDB-UHFFFAOYSA-N
-rxn:4:189866:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,KMRQPHCSUQDAII-UHFFFAOYSA-N
-rxn:4:189869:225176,O=C(c1ccc(-c2ccc(CN3CCOCC3)c(Cl)c2)c(C(F)(F)F)c1)N1CCSCC1,COGHROPDGPVUEZ-UHFFFAOYSA-N
-rxn:4:189922:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCOCC4)ncc3C(=O)OC)c(F)c2)CC1,VVENPQXWZJUTHB-WGSAOQKQSA-N
-rxn:4:190162:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C(=O)N2CCC(F)(F)CC2)cc(Cl)c1OC,UHELXBAXUAAORV-UHFFFAOYSA-N
-rxn:4:190170:224178,CN1CCN(CCOc2cccc(-c3ccc(C(F)(F)F)cc3CN3CCC(F)(F)CC3)c2)CC1,MUOFAOMZJDZATM-UHFFFAOYSA-N
-rxn:4:190170:225748,FC1(F)CCN(Cc2cc(C(F)(F)F)ccc2-c2ccncc2OCC2CCCO2)CC1,ORVVWKXAOHOWNG-UHFFFAOYSA-N
-rxn:4:190171:224065,CC1CCN(c2cc(-c3ccc([N+](=O)[O-])cc3CC3C(=O)OC(C)(C)OC3=O)cc(C3CC3)c2)CC1,UTSDOGJVDNGXEB-UHFFFAOYSA-N
-rxn:4:190354:225829,Cc1cc(-c2cnc(N3CCC(C)CC3)nc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,TZDCPZFBRDAMPX-UHFFFAOYSA-N
-rxn:4:190355:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1,YFRYNIXJFFBSIH-UHFFFAOYSA-N
-rxn:4:190355:223533,CC1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc(C(F)(F)F)c2)CC1,MEFGDJMLBJGWBT-UHFFFAOYSA-N
-rxn:4:190433:224258,Cc1cc(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,JANMJADCXBVWEO-UHFFFAOYSA-N
-rxn:4:190444:222701,Cc1cc(S(=O)(=O)N2CCOCC2)c(C(C)C)cc1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,LWFIPRNYQODOKG-UHFFFAOYSA-N
-rxn:4:190487:226844,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1ccnc(C(=O)C(F)(F)F)c1,OVGMVCPNIXCYDF-UHFFFAOYSA-N
-rxn:4:190708:223648,COCCN1C(=O)COc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc21,QKSOKVZWKMNQKZ-UHFFFAOYSA-N
-rxn:4:190827:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cccc2c1CN(C(=O)OC(C)(C)C)C2=O,LUGUIJCYVMFYTC-UHFFFAOYSA-N
-rxn:4:190908:224017,O=C(Oc1ccc2ccccc2c1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F)N1CCOCC1,VHMTWDJPBWHCNE-UHFFFAOYSA-N
-rxn:4:190925:222845,COc1ccc(-c2ccc(C(C)N3CCNCC3)cc2)c(C(=O)N2C3C=CCC2CC3)c1,FRCQJCWFVBWBAV-UHFFFAOYSA-N
-rxn:4:190956:224729,COc1nccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1C(=O)OC(C)(C)C,UMCYIFMXBRDAGA-UHFFFAOYSA-N
-rxn:4:190959:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc3c(s2)CCCN(C(=O)OC(C)(C)C)C3)cc1F,OJOODKRMUOPKNS-UHFFFAOYSA-N
-rxn:4:190961:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CCC3)cc1,HIUQSQRUJKGNNX-UHFFFAOYSA-N
-rxn:4:190972:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)o1,MEFVYGSHNQPPSS-UHFFFAOYSA-N
-rxn:4:190975:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(F)(F)CCN2C(=O)OC(C)(C)C,SKHOJFGLTJSEDN-UHFFFAOYSA-N
-rxn:4:191055:224842,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc2C2(CC2)C1,ZVEGGMPVFDRMAP-UHFFFAOYSA-N
-rxn:4:191058:222741,COC(=O)C1CCN(C2CCc3cc(-c4cc(C5CC5)nc(C5CCCNC5)c4)ccc32)CC1,UGIKJGQKMNVOSL-UHFFFAOYSA-N
-rxn:4:191062:225882,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(Cl)c(C2CCOCC2)c1,LZDVPLGJERZTAR-UHFFFAOYSA-N
-rxn:4:191069:225763,COC(=O)c1cc(-c2cc(F)c3c(c2)N(CCC2CCCCC2)CCO3)c(C)cc1OC,WAJJMXITKMXVKI-UHFFFAOYSA-N
-rxn:4:191087:222779,CC(C)(C)OC(=O)NCc1cnccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C,DBPMWMNSIPROGA-UHFFFAOYSA-N
-rxn:4:191087:224967,COC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc(C(C)(C)C)c1,DRMLHCXFZOMWDH-UHFFFAOYSA-N
-rxn:4:191091:225431,CCOc1ccc(C(C)(C)C)cc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2(C)C,VTRQVTJOUXMMJT-UHFFFAOYSA-N
-rxn:4:191092:226425,CC1CCCCN1c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)s1,VRADHSJAFCDSME-UHFFFAOYSA-N
-rxn:4:191095:224398,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N2CCC(c3ccc4c(c3)CCO4)C2)cc1S(=O)(=O)N1CCCC1,XEJRTYLUBWASNQ-UHFFFAOYSA-N
-rxn:4:191097:222395,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(C(=O)NC4CCC(O)CC4)c3)cc21,YJNZZNXBTRVNCE-UHFFFAOYSA-N
-rxn:4:191103:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,ZRNULZKYQJBYEL-UHFFFAOYSA-N
-rxn:4:191105:227305,Cc1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(OC(C)C)n1,GRJPMZAVZRICAB-UHFFFAOYSA-N
-rxn:4:191117:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,VZZSLVSTYPATMH-UHFFFAOYSA-N
-rxn:4:191117:228160,CCOc1cccc(F)c1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,FGMSXQAHTHMAPK-UHFFFAOYSA-N
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-rxn:4:199768:225129,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)OC(C)(C)C)cc1F,PQAGXASEGZYWSB-UHFFFAOYSA-N
-rxn:4:199809:223279,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cnc(C3CCCN3)nc2)c1,KWOJCGNWSINAFV-UHFFFAOYSA-N
-rxn:4:199811:222575,Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2)c(Cl)c1,KFPWYFYAMCFQGY-UHFFFAOYSA-N
-rxn:4:199879:223279,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(-c2cnc(C3CCCN3)nc2)cc(C(C)(C)C)c1,VVRQYACMFPTABV-VGOKPJQXSA-N
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-rxn:4:199931:224421,CCC(Sc1nc2c(c(=O)n1-c1ccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc1)SCC2)C(=O)OC,FLQNFWIYEHEULX-UHFFFAOYSA-N
-rxn:4:199960:226229,CCOC(=O)C1CCN(C(=O)Cn2ccc3cc(-c4cccc(OCCCOC)c4)ccc32)CC1,ZXBFVDWMSDLSGR-UHFFFAOYSA-N
-rxn:4:199965:225182,CCOCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc32)SC1=S,UDTFZWVQGSBHMT-UHFFFAOYSA-N
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-rxn:4:200479:222883,COCCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)NC(C)(C)C)cc3Cl)c2)CC1,VMOZHRYSDVKKJL-UHFFFAOYSA-N
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-rxn:4:200560:225984,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,LHLYHNXLKPWBGE-UHFFFAOYSA-N
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-rxn:4:200690:223682,CC(C)CN1CCN(CCc2ccc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)cc2)CC1,ASIROMYHVZMHSY-UHFFFAOYSA-N
-rxn:4:200701:223165,CC(=O)Nc1ccc(-c2cc(Cl)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1C,RQYLKIAFIJPEMT-UHFFFAOYSA-N
-rxn:4:200761:223084,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N2CCC(O)CC2)nc1,NLZIXWCTQLNZNG-UHFFFAOYSA-N
-rxn:4:200840:226062,COC(=O)C1CCCN(Cc2ccc(-c3cc(C(C)C)cc(C(C)C)c3)cc2N2CCCC2)C1,XAQPRUOVCSDRJM-UHFFFAOYSA-N
-rxn:4:200840:227567,COC(=O)C1CCCN(Cc2ccc(-c3cc(Cl)c(OC)c(OC)c3)cc2N2CCCC2)C1,DZPZAMSVKNQDEH-UHFFFAOYSA-N
-rxn:4:200840:228177,COCc1ccc(F)cc1-c1ccc(CN2CCCC(C(=O)OC)C2)c(N2CCCC2)c1,RIDLPDMJZJMLDD-UHFFFAOYSA-N
-rxn:4:200840:228878,COC(=O)C1CCCN(Cc2ccc(-c3cnn(C4COC4)c3)cc2N2CCCC2)C1,YUHJDGCCESLIBQ-UHFFFAOYSA-N
-rxn:4:200854:223294,COC(=O)C1CCCN(Cc2ccc(-c3csc(N4CCNCC4)n3)cc2N2CCOCC2)C1,PDUNEUPFKYRMHP-UHFFFAOYSA-N
-rxn:4:200864:228721,C[C@@H]1CN(Cc2cccc(-c3ccnn3C(C)(C)C)c2)[C@@H](C)CN1C(=O)OC(C)(C)C,FCIRROAIVLYTSH-RBUKOAKNSA-N
-rxn:4:200866:223285,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccccc2NS(C)(=O)=O)c1,PSRKXNVBIHCEDG-UHFFFAOYSA-N
-rxn:4:200880:229054,COCc1cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)cs1,TXAZLYRARHWEON-UHFFFAOYSA-N
-rxn:4:200884:226892,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cc(F)cc(C(F)(F)F)c3Cl)cc1)C2,GNAIZNUFRCYNPW-UHFFFAOYSA-N
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-rxn:4:201192:225756,COC(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC(C)C)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)c(C(C)C)cn1,NVOOLHJEBCCRHI-UHFFFAOYSA-N
-rxn:4:201622:224810,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc1,WFLUTFRPMVUGNM-UHFFFAOYSA-N
-rxn:4:201632:224488,CCOC(=O)C1(C)CC(c2ccc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3)cn2)=NO1,SNIHPPOFKZPWJM-UHFFFAOYSA-N
-rxn:4:201744:224420,CCOc1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1S(=O)(=O)N1CCN=C1C,LUYPNRKQZONUAM-UHFFFAOYSA-N
-rxn:4:201744:225206,CCOc1ccc(-c2cc(C(F)(F)F)c(C)cc2C2CC2)cc1S(=O)(=O)N1CCN=C1C,LIARFXGSOSYWKT-UHFFFAOYSA-N
-rxn:4:201744:225213,CCOc1ccc(-c2ccc(N3CCN(C)CC3)cc2Cl)cc1S(=O)(=O)N1CCN=C1C,PQSNSGWSKPUOFC-UHFFFAOYSA-N
-rxn:4:201744:225311,CCOc1ccc(-c2cc(C(F)(F)F)c(C3CC3)cc2Cl)cc1S(=O)(=O)N1CCN=C1C,LCFYLNXUWPSOSF-UHFFFAOYSA-N
-rxn:4:201758:222860,CCCCNC(=O)c1ccc(F)c(-c2cncc(CC(=O)N3CCCC(C(F)(F)F)C3)c2)c1,VOXWRZCTRWUALQ-UHFFFAOYSA-N
-rxn:4:201831:224405,COCCN1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2)CC1,XPGGPDGXHONNHW-UHFFFAOYSA-N
-rxn:4:201835:224773,CCN1CCN(c2cc(OC(F)F)cc(-c3ccc(S(=O)(=O)N4CCCC4)c(C)c3)c2)CC1,RSKBUIYIDHDCNU-UHFFFAOYSA-N
-rxn:4:201924:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,JEBJXTNILLFGIL-UHFFFAOYSA-N
-rxn:4:201979:228331,CCOc1nccc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)c1Cl,MRKSSKWOKGTMKY-UHFFFAOYSA-N
-rxn:4:201995:223996,CN1CCN(c2ccc(-c3ccnc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c(C(F)(F)F)c2)CC1,RZRXHEPRAVNNEI-UHFFFAOYSA-N
-rxn:4:201998:224718,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCN3CCOCC3)nc2)ccn1,RRFDHDSKANDQKM-UHFFFAOYSA-N
-rxn:4:202015:224718,CC(C)(C)OC(=O)c1cc(-c2ccc(OCCN3CCOCC3)nc2)cnc1N1CCOCC1,HWYKCXPTBQQSMX-UHFFFAOYSA-N
-rxn:4:202075:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)cc1F,XQMKLWXVFLMCNZ-UHFFFAOYSA-N
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-rxn:4:202195:227078,COc1ccc(C2CC2)c(-c2cccnc2OC2CCN(C(=O)C3CC=CCC3)CC2)c1,LPLNBRWOVDLMMF-UHFFFAOYSA-N
-rxn:4:202207:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2)c1F,SBTMNBCFHCDQBA-UHFFFAOYSA-N
-rxn:4:202215:224714,CCCCOc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1C(F)(F)F,JBWPYCOOFCJZJQ-UHFFFAOYSA-N
-rxn:4:202278:224683,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)CC1,IVTRVIZOENTOPN-UHFFFAOYSA-N
-rxn:4:202284:224061,CCCC1CCC(c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)c(F)c2)CC1,YWJXOOTVWDWAGP-UHFFFAOYSA-N
-rxn:4:202284:225592,COc1ccc(-c2cc(F)ccc2CN2CCCC2)cc1CN1CCC(N2CCCC2)CC1,CCMBAGLOWGIREB-UHFFFAOYSA-N
-rxn:4:202284:226291,COc1ccc(-c2cc(F)cc(OCC(C)C)c2)cc1CN1CCC(N2CCCC2)CC1,GZLWJNXUHOGPTR-UHFFFAOYSA-N
-rxn:4:202284:226665,COc1ccc(-c2cnc(C3CCCOC3)nc2)cc1CN1CCC(N2CCCC2)CC1,HLHGYRKCUBQHGC-UHFFFAOYSA-N
-rxn:4:202310:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)c2)CC1,BKHBTSAEHIQISR-UHFFFAOYSA-N
-rxn:4:202327:223888,CN(Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1N1CCOCC1)C1CCCCC1,IYXVOSCJCYKRPJ-UHFFFAOYSA-N
-rxn:4:202350:223841,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)c2)CC3)ccc1F,URHUJNGWMKGMIV-UHFFFAOYSA-N
-rxn:4:202518:225395,CC(C)[C@H]1c2nc(-c3cc(C4CC4)cc(C(C)(C)C)c3)sc2CN1C(=O)OC(C)(C)C,UKJUJXRMFXUDFH-QFIPXVFZSA-N
-rxn:4:202518:225564,COC(=O)C(C)(C)c1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c1,MMOWGBHOISXJDB-IBGZPJMESA-N
-rxn:4:202685:222934,CCNC(=O)c1cc(-c2ccc3c(ccn3CCC(=O)N3CCC4(CC3)OCCO4)c2)cc([N+](=O)[O-])c1,VFNJOXXPDNRPGY-UHFFFAOYSA-N
-rxn:4:202711:223091,C[C@H]1CC[C@H](c2ccc3sc(-c4cnc(NC(=O)OC(C)(C)C)s4)nc3c2)N(C(=O)OC(C)(C)C)C1,UYVUDNONMFKLKX-MAUKXSAKSA-N
-rxn:4:202807:224497,CCN1CCN(Cc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,IKSLLPCSPFXAMJ-UHFFFAOYSA-N
-rxn:4:202819:222468,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc5cc(NC(=O)OC(C)(C)C)ccc5c4)ccc2OC3c2ccc(C(C)C)cc2)cc1,URVZRVONHJXMIG-UHFFFAOYSA-N
-rxn:4:203285:223646,CN(C)Cc1cc([N+](=O)[O-])ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)cc1,WTGIVNQSKFCTNW-UHFFFAOYSA-N
-rxn:4:203545:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)cc1,HHBXQKHDJBYNSW-UHFFFAOYSA-N
-rxn:4:203564:223814,COC(=O)c1cnn(C2CCCCO2)c1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,RHAQZCRZMDYDBL-UHFFFAOYSA-N
-rxn:4:203565:222389,COC(=O)c1cn(C2CCCCO2)nc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,FGIAKKVEWCYSED-UHFFFAOYSA-N
-rxn:4:203712:223051,O=C(NC1CC1)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c1,GQWFMXNRPVCKFM-UHFFFAOYSA-N
-rxn:4:203712:223841,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,RLEDKQXXJYEQRP-UHFFFAOYSA-N
-rxn:4:203712:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,QYXZCOGUCPRAQL-UHFFFAOYSA-N
-rxn:4:203775:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(S(=O)(=O)N4CCC(OC)CC4)c3)cc2)CC1,JGWIUSAIAALYNW-UHFFFAOYSA-N
-rxn:4:203792:222699,O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1,OXBHFUMLANSEJJ-UHFFFAOYSA-N
-rxn:4:203862:222614,CN1CCN(CCc2cccc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)c2)CC1,KQBMYNCCBLEPIA-UHFFFAOYSA-N
-rxn:4:203870:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(F)cc3CN3CCN(CC)CC3)cc2)CC1,MQSJBIAMSGCPBC-RQNOJGIXSA-N
-rxn:4:203880:222716,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)n2)C1,FVYZWWDWXKPVKX-UHFFFAOYSA-N
-rxn:4:203903:225313,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C)CC4)nc3F)cc2F)CC1,TWQYFWHOCXTEFJ-UHFFFAOYSA-N
-rxn:4:203914:223167,CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCNCC4)c3)c(C(F)(F)F)c2)CC1,RXUYYYMAKCYEBW-UHFFFAOYSA-N
-rxn:4:203939:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1cccc(N2CCN(S(=O)(=O)C3CC3)CC2)c1,KCNCNYBHJIECBL-UHFFFAOYSA-N
-rxn:4:204012:223894,CN1CCN(CCCOc2cccc(-c3cccc(S(=O)(=O)N4CCC(N(C)C)CC4)c3)c2)CC1,MOYPWWAMVZBOHY-UHFFFAOYSA-N
-rxn:4:204019:224727,COC(=O)c1cc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)cc(OC(C)(C)C)n1,RFKKNMIKHJQEON-UHFFFAOYSA-N
-rxn:4:204027:224842,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1ccccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C,BPLRBAFFPZWFEA-FQEVSTJZSA-N
-rxn:4:204029:225313,CC1CN(S(C)(=O)=O)CCN1Cc1ccc(-c2ccc(N3CCN(C)CC3)nc2F)cc1,LLMWBEMGPYCZGZ-UHFFFAOYSA-N
-rxn:4:204106:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1cncc(C(=O)N2CCCCC(c3ccc(F)cc3)C2)c1,ZACSSUBEJJCREH-UHFFFAOYSA-N
-rxn:4:204114:226720,COC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c(OC)cn1,GLYCTKMRTDCLKN-UHFFFAOYSA-N
-rxn:4:204158:225313,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(N5CCN(C)CC5)nc4F)cc3Cl)CC2)cc1,AUSLWCLXPGUGFH-UHFFFAOYSA-N
-rxn:4:204261:223540,CCOC(=O)c1[nH]c2ncccc2c1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,SBTIVTYRROJLKI-UHFFFAOYSA-N
-rxn:4:204379:222439,CCOC(=O)c1cc2c(C)cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cn2n1,SNKGURQRIMBQRK-UHFFFAOYSA-N
-rxn:4:204410:223559,CON(C)C(=O)c1cc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2cn1,BVROAYKNFPXAQA-UHFFFAOYSA-N
-rxn:4:204460:223541,CC(C)(C)OC(=O)n1ccc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc21,LTJPTYUWDLKMCJ-UHFFFAOYSA-N
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-rxn:4:204646:224992,Cc1c(-c2ccccc2CN2CCC(=O)CC2)cnc2c1N(C(=O)OC(C)(C)C)CCO2,MDGZXKRUSLQZGF-UHFFFAOYSA-N
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-rxn:4:206981:224773,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)ccc1S(=O)(=O)N1CCCC1,QEEZBLDVMVKSJT-UHFFFAOYSA-N
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-rxn:4:207074:222538,CN1CCN(c2ccc(C3CC3)cc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)CC1,ZXXZXKBTFNKFAS-UHFFFAOYSA-N
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-rxn:4:207077:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(=C5CCC5)CC4)c3)cc2F)CC1,GWFBAYMAZRYQGX-UHFFFAOYSA-N
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-rxn:4:207576:223823,CCn1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C12CC(C)CC1O2,RNFZAOWMNQXLDR-UHFFFAOYSA-N
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-rxn:4:207959:222986,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nc(C5CCCNC5)c4)ccc2OC3C2CCCCC2)cc1,ZDWPJFRQFZFZRZ-UHFFFAOYSA-N
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-rxn:4:209239:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4=NCCC4)c3)cc2Cl)CC1,UKWGHWSGUXLCNK-UHFFFAOYSA-N
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-rxn:4:212605:222895,CCCCS(=O)(=O)Nc1ccc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)C2)cc1,SNLXEWGIIWLVJG-UHFFFAOYSA-N
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-rxn:4:212729:225947,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(N6CCN(C)CC6)nc5)cc4)C3)n2)cc1OC,ZBKGMRATRWHTSE-UHFFFAOYSA-N
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-rxn:4:212814:225457,Cc1ccc(-c2cc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)ccn2)cc1,FAPIMBUXIYEEGS-UHFFFAOYSA-N
-rxn:4:212843:226511,CN1CCN(c2ccc(-c3cc(Cl)cnc3OCC3CC3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,ITBSCLAAAHKZDJ-JGCGQSQUSA-N
-rxn:4:212989:222589,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)s2)CC1,GDIPJBVIVLJXPG-UHFFFAOYSA-N
-rxn:4:212992:223985,COc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1S(=O)(=O)N1CCCCC1,XAGSQTXNHGCTJU-UHFFFAOYSA-N
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-rxn:4:213074:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,RSOBCOQVVYERRP-UHFFFAOYSA-N
-rxn:4:213077:228380,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C#N)c(Cl)c3F)c(C(F)F)n2)CC1,ZKJXBYOVACMVTG-UHFFFAOYSA-N
-rxn:4:213113:224976,N#Cc1c(-c2cnc(OC3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4)C3)nc2)cccc1N1CCCCC1,ZUIVJCYVAKEPSO-UHFFFAOYSA-N
-rxn:4:213134:222584,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,KPBDMBWNNOIKGJ-UHFFFAOYSA-N
-rxn:4:213178:223926,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)cn3)C2)c(C)o1,KNYHZWHYFCGMNH-UHFFFAOYSA-N
-rxn:4:213184:225898,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cnn(CCN4CCOCC4)c3)CC2)nc1,NPZMQWJUIRRUTP-UHFFFAOYSA-N
-rxn:4:213215:227527,CCOc1ccc(F)c(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c1Cl,ZMZYWPNYDAEHBA-UHFFFAOYSA-N
-rxn:4:213216:226484,COCCOc1cc(Cl)ccc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,NHNLBAGQFMVGSV-UHFFFAOYSA-N
-rxn:4:213223:222695,COc1ccc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,XMABOYXOAWGTDA-UHFFFAOYSA-N
-rxn:4:213251:224657,CN(Cc1ccccc1)c1ncc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(O[Si](C)(C)C(C)(C)C)c1F,HYKJEPXQOIZCDK-UHFFFAOYSA-N
-rxn:4:213282:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1cccc(N2CC(C(=O)N3CCC(Oc4ccncc4)CC3)CC2=O)c1,JOLPVRAHMYRHME-UHFFFAOYSA-N
-rxn:4:213338:227537,COC(=O)c1cc(Cl)cc(-c2ccc(N3C(SCC(=O)N(C)C)=NC4CS(=O)(=O)CC43)c(F)c2)c1,UIUCHXBCZZOVAK-UHFFFAOYSA-N
-rxn:4:213348:226831,CCCn1cc(-c2cccc3c2ccn3CCC(=O)N2CCN(C(C)=O)CC2)c(C(F)(F)F)n1,FCALOPXCLAKCTA-UHFFFAOYSA-N
-rxn:4:213380:224710,CCCCOc1cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)cc(C(F)(F)F)c1,IGJJTMSERKOQEX-UHFFFAOYSA-N
-rxn:4:213480:222772,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)NC5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PMOCCAIHPMRZDE-KIESAQMKSA-N
-rxn:4:213631:224656,COc1ccc(-c2cnn(CC3CCCN(CC(F)F)C3)c2)c(F)c1OC1CCCC1,RSHUWUWMDYPEAF-UHFFFAOYSA-N
-rxn:4:213686:222751,Cc1ccc(-c2cnn(CC3CN(C(=O)C(C)(C)C)C3)c2)cc1NC(=O)OC(C)(C)C,VVDVEVZAFNAEIV-UHFFFAOYSA-N
-rxn:4:213720:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)C2)cc1,JZMNFDLIEJVYPP-UHFFFAOYSA-N
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-rxn:4:213796:222877,CC(C)(C)NC(=O)c1ccc(-c2cnn(CC3CN(CC4CCOCC4)C3)c2)cc1Cl,BHLXVAGKDMIEHE-UHFFFAOYSA-N
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-rxn:4:213828:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1,UGHNVELUMYGZRH-UHFFFAOYSA-N
-rxn:4:213837:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1,USXVYVCPOBRBON-UHFFFAOYSA-N
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-rxn:4:213943:223122,CC(C)C(=O)Nc1cccc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1,VICABDJVQYGGMV-UHFFFAOYSA-N
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-rxn:4:213991:226446,Cc1nc(C2CCOC2)ccc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,FBVYSEWZTHDISM-UHFFFAOYSA-N
-rxn:4:213991:226844,O=C(c1cc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)ccn1)C(F)(F)F,FVHNODKCZLZYCZ-UHFFFAOYSA-N
-rxn:4:213992:226247,CCOc1ccc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)c(OCC)c1,WDALCGBJNNFDTB-UHFFFAOYSA-N
-rxn:4:214012:222985,Cc1nc(C2CCCNC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,INWPWMJNDIXRCE-UHFFFAOYSA-N
-rxn:4:214028:226526,COC(=O)c1ccc(OC)c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,AWCOICORCJJDAO-UHFFFAOYSA-N
-rxn:4:214037:224813,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4ccc(-n5cccn5)c(C(F)(F)F)c4)cc3)C2)CC1,DGXWSOAHQAFZPM-UHFFFAOYSA-N
-rxn:4:214042:223949,CN(C)c1ncc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)c(OCc2ccccc2)n1,VRRIGZHAKBYQNF-UHFFFAOYSA-N
-rxn:4:214070:225715,COCCOCc1cc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)ccc1F,VXUTYPPDRAKARS-UHFFFAOYSA-N
-rxn:4:214074:223138,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,IGCJLLBWFXJVEW-UHFFFAOYSA-N
-rxn:4:214081:225757,COC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)cc(C(C)C)n1,AEDDEXLMNLREOM-UHFFFAOYSA-N
-rxn:4:214146:226524,CCOC(=O)c1ccc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)c(F)c1,SWIARWRZTLOZFT-UHFFFAOYSA-N
-rxn:4:214154:222466,CCOC(=O)c1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)nc2c1cnn2C1CCCCO1,QGWOYGOQWFVMGI-UHFFFAOYSA-N
-rxn:4:214180:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)cc1,RLADNZDEHCJHAI-SFHVURJKSA-N
-rxn:4:214221:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4nc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]c4c3)c(F)ccc21,LUUGXRHHQMNXRR-LJAQVGFWSA-N
-rxn:4:214230:225223,CC1CCN(c2cc(F)c(-c3cnc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)cn2)CC1,VYHJKCILNDKMLS-UHFFFAOYSA-N
-rxn:4:214255:222518,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)c2c(Cl)ncnc21,SLLWMKCDZCCKER-UHFFFAOYSA-N
-rxn:4:214276:224828,CCOc1cc(OC(F)(F)F)cc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)c1F,UTWCSQMQOQPBBO-UHFFFAOYSA-N
-rxn:4:214302:225192,COc1ccc2cc(C3CC(c4ccc(-c5cc(OC6CCCCC6)ncc5F)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1,VXSUKYHSZMAPCA-UHFFFAOYSA-N
-rxn:4:214349:223787,CN1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)cc2F)CC1,KJGZCHALLJSKFV-UHFFFAOYSA-N
-rxn:4:214359:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3nc(C)c(C4=NN(C(C)=O)C(c5ccc(F)cc5)C4)c(-c4ccccc4)c3c2)c1,MZMSGUMWJGSUGR-UHFFFAOYSA-N
-rxn:4:214619:222466,CN(CC1COCCO1)c1ncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cn1,YDKUCKJCKVTRJW-UHFFFAOYSA-N
-rxn:4:214631:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)c1,JGNSLPABXNHAKN-UHFFFAOYSA-N
-rxn:4:214646:223503,CN1CCC(COc2ccnc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)n2)CC1,MDHMYSBXOKQGJZ-UHFFFAOYSA-N
-rxn:4:214646:223785,CCN1CCN(CCOc2ccc(-c3nccc(OCC4CCN(C)CC4)n3)cc2Cl)CC1,ZWOZBGIHZQBJJD-UHFFFAOYSA-N
-rxn:4:214678:224718,CCN1CCN(C(=O)c2cc(-c3ccc(OCCN4CCOCC4)nc3)cnc2Cl)CC1,BRUPGHMPUIWDJX-UHFFFAOYSA-N
-rxn:4:214709:224318,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,WVBBOSMXYRUIRD-UHFFFAOYSA-N
-rxn:4:214711:224459,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cn2)CC1,ANVYRPUXGOCJDN-UHFFFAOYSA-N
-rxn:4:214718:225313,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(N4CCN(C)CC4)nc3F)c2)CC1,ZQOFQHUUSFEEPS-UHFFFAOYSA-N
-rxn:4:214820:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)c1,VUNJLRQGXKRHAN-UHFFFAOYSA-N
-rxn:4:214828:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(C(=O)N4CCC(c5ccn(C)n5)CC4)c3)c2)CC1,HLNBBSXPLICJTL-UHFFFAOYSA-N
-rxn:4:214835:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1,GIGBYGKAKDNKLV-UHFFFAOYSA-N
-rxn:4:214854:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cnc(OC2CCN(C3CCOCC3)CC2)nc1,MFNYINULBGXDEU-UHFFFAOYSA-N
-rxn:4:214854:225507,COC(=O)C1CCc2cc(-c3cnc(OC4CCN(C5CCOCC5)CC4)nc3)ccc21,GVLZOERAYOVUTK-UHFFFAOYSA-N
-rxn:4:214872:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,CKJHDMHJJDEHCY-UHFFFAOYSA-N
-rxn:4:214890:227526,COC(=O)c1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1Cl,QWAIDXCPFVMIOW-UHFFFAOYSA-N
-rxn:4:215106:225190,COc1cc(N2CCOCC2)ccc1-c1c(C)nn2c1CN(C(=O)OC(C)(C)C)CC2,OCKLAKMIRROLQH-UHFFFAOYSA-N
-rxn:4:215887:222537,CC1CCN(c2c(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cncc2[N+](=O)[O-])CC1,NGUJYIUKMXNFLW-UHFFFAOYSA-N
-rxn:4:215906:223508,CN1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)c2)CC1,OECXJUQKBULSOU-UHFFFAOYSA-N
-rxn:4:215907:223508,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)CC1,NNFCJKPVISKTEV-UHFFFAOYSA-N
-rxn:4:215908:223841,Cc1cc(F)c(-c2cncc(N3CCN(S(C)(=O)=O)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PJSKYCWVEKIBGT-UHFFFAOYSA-N
-rxn:4:215912:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCN(S(C)(=O)=O)CC2)c(Cl)c1,QDNATHPLQWJLKM-UHFFFAOYSA-N
-rxn:4:215912:223841,Cc1cc(F)c(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1,VZTZHGKIDFJLOZ-UHFFFAOYSA-N
-rxn:4:215912:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(S(C)(=O)=O)CC2)c(Cl)c1,WPPOXIJCEQIHLW-UHFFFAOYSA-N
-rxn:4:215913:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,QOSGJOSYVHEJBH-UHFFFAOYSA-N
-rxn:4:215913:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,QVYNYNWMTUNKDA-UHFFFAOYSA-N
-rxn:4:215913:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C)CC4)c(C(F)(F)F)c3)c2)CC1,VSOLFUFEOSGUAZ-UHFFFAOYSA-N
-rxn:4:215913:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,OWAIJHUEHGLFHS-UHFFFAOYSA-N
-rxn:4:215913:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,XHTBECFBPIFRGV-UHFFFAOYSA-N
-rxn:4:215959:224658,CC(=O)N1CCN(c2ccc(-c3cc(N4CCN(C)CC4)c([N+](=O)[O-])cc3C)cc2)CC1,WTRLMZHLDVZTMP-UHFFFAOYSA-N
-rxn:4:215960:224291,Cc1cc(N2CCN(C)CC2)c(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1[N+](=O)[O-],AJXHEMMIDYFAHP-UHFFFAOYSA-N
-rxn:4:216208:223813,COc1nccc2c(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)nn(C3CCCCO3)c12,WUCJJJXMSLQZFU-UHFFFAOYSA-N
-rxn:4:216219:224061,CCCC1CCC(c2ccc(-c3cnc(OC4CC5CCC(C4)N5C)nc3)c(F)c2)CC1,FFLOAPLQXIHWPI-UHFFFAOYSA-N
-rxn:4:216319:225180,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(C(=O)N5CCCC5)cc4Cl)ccc3S2(=O)=O)n1,UBCLFQAQORWQRB-UHFFFAOYSA-N
-rxn:4:217765:223533,Cc1nc(N2CCC2)c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)sc2n1,NPVMMANKYJAVQS-UHFFFAOYSA-N
-rxn:4:217872:223712,COc1ccc(-c2cc3nnn(C4CCCCC4)c3c(F)c2F)cc1C12CC3CC(CC(C3)C1)C2,WZXZCXODVHENPG-UHFFFAOYSA-N
-rxn:4:218605:222900,COc1ncccc1C(=O)N1CCC(COc2ncc(-c3csc(CNC(=O)OC(C)(C)C)c3)cn2)CC1,BAQCFANJXVKXEY-UHFFFAOYSA-N
-rxn:4:218629:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)Cc5c(C)noc5C)C4)nc3)c2)CC1,OCQDRCHFRWKWAI-UHFFFAOYSA-N
-rxn:4:218775:224441,CCOc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCCCC5)CC4)c3)cc2)cc1,IRWDUIZNYUBUGO-UHFFFAOYSA-N
-rxn:4:218831:222546,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,WXWPECHSXZTMEV-UHFFFAOYSA-N
-rxn:4:218854:224718,COCc1cn(C2CCN(C(=O)c3cc(-c4ccc(OCCN5CCOCC5)nc4)ccc3Cl)C2)nn1,FCQYSIXCQMZUIQ-UHFFFAOYSA-N
-rxn:4:218868:225597,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCCC4)nc3)cc2)no1,JRWORHOXOKPRKQ-UHFFFAOYSA-N
-rxn:4:218868:225633,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)no1,ZHNOMOVURUUACD-UHFFFAOYSA-N
-rxn:4:218885:224317,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)cn2)CC1,JYVYPOHARGTTRU-UHFFFAOYSA-N
-rxn:4:218888:222634,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYHKICCLGYURIM-UHFFFAOYSA-N
-rxn:4:218944:228088,CCCSc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,VMGQRJFJLZFABN-UHFFFAOYSA-N
-rxn:4:218972:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OCC2CCCN(C(=O)c3sc(C)nc3C)C2)nc1,JJUJJWQKJPHDBV-UHFFFAOYSA-N
-rxn:4:219048:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)c1,VBMYKEDAWXREHX-UHFFFAOYSA-N
-rxn:4:219093:223557,CCC(=O)C1=C(c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)N(C(=O)CC)n2cnnc2S1,JPJXVERZHJIDJS-UHFFFAOYSA-N
-rxn:4:219370:224986,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccc(N4CCCCC4)cc3C#N)n2)C1,NMFXELKXRKSASQ-UHFFFAOYSA-N
-rxn:4:219405:225709,CN(C)CCCOc1ccc(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1,BKWAJJJQDVZQLF-UHFFFAOYSA-N
-rxn:4:219473:224170,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCCC2)c(Cl)c1,VQEVRNVBACGHHN-UHFFFAOYSA-N
-rxn:4:219477:224977,N#Cc1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)ccc1N1CCCCC1,HJXSGDDHTKBPDT-UHFFFAOYSA-N
-rxn:4:219477:225228,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c(F)c2)CC1,QOZBJESXKNHYJD-UHFFFAOYSA-N
-rxn:4:219500:226238,CCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc1C#N,SIDUYEHNKSWUNT-UHFFFAOYSA-N
-rxn:4:219539:222701,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)CC1,UVBVXUCZSZTUTM-UHFFFAOYSA-N
-rxn:4:219631:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)N(C)C2CN(c3cc4c(nn3)CCC4)C2)o1,PMTSJLVMTLYWOO-UHFFFAOYSA-N
-rxn:4:219673:222623,CCC(C)c1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(n2ccnn2)C3)cc(C2CCNCC2)n1,MRUMFHJKXCCVHI-UHFFFAOYSA-N
-rxn:4:219758:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccccc1CC(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1,CYURHRRXWANVAX-UHFFFAOYSA-N
-rxn:4:219891:224371,COC(=O)C1CCN(c2ncc(-c3cnn(CC4CN(C5CCN(C)C5=O)C4)c3)cn2)CC1,MHPCKPDZHDLBBY-UHFFFAOYSA-N
-rxn:4:219955:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c2)CC1,WRRZWUNPPAMSTQ-UHFFFAOYSA-N
-rxn:4:219996:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)cc2)CC1,LUZZIHRJDXPCOV-UHFFFAOYSA-N
-rxn:4:219996:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCN(c5ccnc(C6CC6)n5)CC4)cc3)c2)CC1,BQLJTSNAZQGMCG-UHFFFAOYSA-N
-rxn:4:220136:224668,CCN1CCN(c2cc(F)cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c2)CC1,ZOSMHXYWRFSKBX-UHFFFAOYSA-N
-rxn:4:220141:222464,CC(C)c1ccc(NC(=O)c2ccc(-c3ccc4c(C(=O)N5CCC(N6C(=O)CSC6=O)C5)n(C)nc4c3)cc2)cc1,FRNMXVHBYKDWTJ-UHFFFAOYSA-N
-rxn:4:220241:223649,Cn1cc(-c2nc(-c3cccc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21,MKOSRLXSFUJIFN-UHFFFAOYSA-N
-rxn:4:220251:224403,C[C@@H]1Cc2c(ccc3[nH]ncc23)C(c2ccc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)cn2)N1CC(F)(F)F,QJOCMROMMVJPQR-ZRTDVJLTSA-N
-rxn:4:220426:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(N2CCOCC2)nc1N1CCOCC1,PHHUKSUBJNBVDI-UHFFFAOYSA-N
-rxn:4:220540:223918,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(C(=O)N(C)C6CCCCC6)ccc5F)cc4)C3C2=O)c1,PMXKXKYLRKSMGM-UHFFFAOYSA-N
-rxn:4:221106:224063,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)c2)CC1,PMABFSWTECVARN-UHFFFAOYSA-N
-rxn:4:221110:229056,CC(C)n1nccc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,AMBQGFYQVUVXJP-UHFFFAOYSA-N
-rxn:4:221121:222599,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)Nc6cccc(Cl)c6)c(F)c5)ccc43)CC2)CC1,FXSYHHVFYHXTSD-UHFFFAOYSA-N
-rxn:4:221121:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,KFKMIAVXEVBZEN-UHFFFAOYSA-N
-rxn:4:221121:223279,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCCN6)nc5)ccc43)CC2)CC1,AOJHGYWZSSQTTP-UHFFFAOYSA-N
-rxn:4:221152:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c2)CC1,AIOCVOSJACDPAQ-UHFFFAOYSA-N
-rxn:4:221172:225052,CC1CCCCN1c1cc(F)cc(-c2cnc(OCC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nc2)c1,WZKWRXKQDCSYFW-UHFFFAOYSA-N
-rxn:4:221175:228176,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(COC)c(F)c4)cn3)C2)C(=O)C1=O,KRWOTJKIMBTTDE-UHFFFAOYSA-N
-rxn:4:221177:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5cc(C6CC6)ncn5)CC4)nc3)c2Cl)CC1,FGHFDHIZLJCABC-UHFFFAOYSA-N
-rxn:4:221193:227917,CCc1ccc(OC)c(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)c1,GQOYYNKFNAORGL-UHFFFAOYSA-N
-rxn:4:221198:223812,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1,JRSXZKFQDOJLOW-UHFFFAOYSA-N
-rxn:4:221204:224759,O=C(c1cc(F)cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1)N1CCOCC1,LIBOVRRZKVAVIK-UHFFFAOYSA-N
-rxn:4:221227:222546,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,GOTXSTGVNCEJDC-UHFFFAOYSA-N
-rxn:4:221230:223077,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cn3)C1)CCC2,LWNHSHDKEAQDCM-UHFFFAOYSA-N
-rxn:4:221232:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2Cl)CC1,BWTBJOIJDSCBGN-UHFFFAOYSA-N
-rxn:4:221232:225877,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C1)CCOC2,XXJPPBCUMXLAKO-UHFFFAOYSA-N
-rxn:4:221252:224493,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1,PDGMZDFKNRPLCY-UHFFFAOYSA-N
-rxn:4:221340:223959,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(c5nnc(C)s5)C4)nc3)ccc2Cl)CC1,BCMWJMLUVXABCL-UHFFFAOYSA-N
-rxn:4:221345:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2C1,QJGBFVROLUYZBG-UHFFFAOYSA-N
-rxn:4:221348:223712,COc1ccc(-c2cnc(OCC3CCCN(c4ncc(F)cn4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,NQTHGRGQOXXLIG-UHFFFAOYSA-N
-rxn:4:221360:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,IVRCGUJGDJSKPO-UHFFFAOYSA-N
-rxn:4:221393:224883,CC(c1ccc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)cc1)N1CCCCC1,LWSRXSCUHWPDFW-UHFFFAOYSA-N
-rxn:4:221393:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1,SVHVRKROICZZFW-UHFFFAOYSA-N
-rxn:4:221393:224975,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cc2)CC1,DIYJCLZBISKKHE-UHFFFAOYSA-N
-rxn:4:221393:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1,JXBVORVZMHXHMY-UHFFFAOYSA-N
-rxn:4:221393:225050,CC1CCN(c2cc(F)cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2)CC1,WIDBKAFGCTZGAN-UHFFFAOYSA-N
-rxn:4:221393:225051,CC1CCCN(c2cc(F)cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2)C1,GMPWNIPODUOYQW-UHFFFAOYSA-N
-rxn:4:221393:225052,CC1CCCCN1c1cc(F)cc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)c1,RSASZWUWPNEUFF-UHFFFAOYSA-N
-rxn:4:221393:225053,CC1CCCCN1c1ccc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)c(F)c1,JLHWZNUORXJNDC-UHFFFAOYSA-N
-rxn:4:221393:225054,CC1CCCCN1c1ccc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)c(Cl)c1,VEPTXUPTUFZANQ-UHFFFAOYSA-N
-rxn:4:221393:225055,CC1CCCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(Cl)c2)C1,OSIXOYLWGMBJKV-UHFFFAOYSA-N
-rxn:4:221393:225056,CC1CCCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(F)c2)C1,NUIXYVJYAORYDL-UHFFFAOYSA-N
-rxn:4:221393:225059,CC1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(Cl)c2)CC1,UFNQISKNPBFODO-UHFFFAOYSA-N
-rxn:4:221393:225061,CC1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(F)c2)CC1,BOGYLERLKLMQHD-UHFFFAOYSA-N
-rxn:4:221393:225215,CC1CCN(c2nccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2Cl)CC1,DKRHHTUTZUJZGY-UHFFFAOYSA-N
-rxn:4:221393:225218,CC1CCCN(c2ncc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cc2Cl)C1,UXUKDBQOEDYIHT-UHFFFAOYSA-N
-rxn:4:221393:225219,CC1CCCCN1c1cc(F)c(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)cn1,OTFDLOBKHHXRTH-UHFFFAOYSA-N
-rxn:4:221393:225220,CC1CCCCN1c1ncc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)cc1Cl,VJMXQBYEAIUTKL-UHFFFAOYSA-N
-rxn:4:221393:225223,CC1CCN(c2cc(F)c(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cn2)CC1,NBGQFLWBGFAWBO-UHFFFAOYSA-N
-rxn:4:221393:225226,CC1CCN(c2cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(F)cn2)CC1,AFSMRVPTPHKVHA-UHFFFAOYSA-N
-rxn:4:221393:225227,CC1CCN(c2ncc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cc2Cl)CC1,XQALVQDFYAIORZ-UHFFFAOYSA-N
-rxn:4:221393:225231,CC1CCCCN1c1cc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)cnc1Cl,WXVQSTVNDSTTRV-UHFFFAOYSA-N
-rxn:4:221393:225232,CC1CCN(c2cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cnc2Cl)CC1,KNBKOMUPGQPYTA-UHFFFAOYSA-N
-rxn:4:221393:225233,CC1CCCN(c2cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cnc2Cl)C1,RGOCJDONQJPHCP-UHFFFAOYSA-N
-rxn:4:221393:225389,CCC(C)c1cc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)cc(C2CC2)c1,KBRCQDHYQIEMIA-UHFFFAOYSA-N
-rxn:4:221440:227794,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])cc(Cl)c4F)cc3)CC2)n1,XIFFEILGAISPNF-UHFFFAOYSA-N
-rxn:4:221441:225568,COC(=O)C(C)(C)c1ccc(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)cc1,SHMATPJZNCTVOM-UHFFFAOYSA-N
-rxn:4:221522:223945,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)cn4)CC3)cnc2c1,BHIUEHZQIBMHMP-UHFFFAOYSA-N
-rxn:4:221622:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCN(c3ncccn3)CC2)c(C(F)(F)F)c1,YBVOUOOMDCQNIA-UHFFFAOYSA-N
-rxn:4:221730:222466,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,FPIGKFNZFCXRRP-UHFFFAOYSA-N
-rxn:4:221731:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)nc1,PCURHNFIIXWGTI-UHFFFAOYSA-N
-rxn:4:221836:224017,O=S1(=O)N=C(N2CCCN(c3ncc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cn3)CC2)c2ccccc21,JJOLSSSLLBIIPL-UHFFFAOYSA-N
-rxn:4:221836:225313,CN1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(F)n2)CC1,NQIXZAFMHFSYKK-UHFFFAOYSA-N
-rxn:4:221965:222584,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cc4)CC3)nn2)CC1,KGBOGLZOWLTRFQ-UHFFFAOYSA-N
-rxn:4:221981:223528,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(F)c(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)c5)no4)C3C2=O)cc1,LPJFDTPEEYIGIA-UHFFFAOYSA-N
-rxn:4:222029:222465,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)CC2)n1,AKVGCNOZJLRSEC-UHFFFAOYSA-N
-rxn:4:222061:223569,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5F)c4)CC3)nn2)c(C)c1C,MKQZAWMGYQSRBV-UHFFFAOYSA-N
-rxn:4:222062:228904,COc1ccnc(Cl)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,RUTDSSYLVBGFBZ-UHFFFAOYSA-N
-rxn:4:222062:228947,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(Cl)c(F)c4)cc3)CC2)n1,CTMOOWFLCDVRRZ-UHFFFAOYSA-N
-rxn:4:222103:224650,Cc1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(-c6cc(F)ccc6OCC6CCOCC6)cc5)C(=O)C43)n2)cc1,OEKSYBRQCUMJRN-UHFFFAOYSA-N
-rxn:4:222108:223685,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)(F)F)c(OCc7cccnc7)c6)cc5)no4)C3C2=O)cc1F,GXLFVYIDRUACDV-UHFFFAOYSA-N
-rxn:4:222108:225601,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(C#N)CCC7)cc6F)cc5)no4)C3C2=O)cc1F,USJPCESVKDDBRS-UHFFFAOYSA-N
-rxn:4:222108:225736,CCCOc1c(OC)ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1F,JXWJLYXLDJVLEC-UHFFFAOYSA-N
-rxn:4:222152:222465,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,GXRNILKDWSSYJV-UHFFFAOYSA-N
-rxn:4:222167:224022,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC2)c1C,XBILKZDCLXDDLF-UHFFFAOYSA-N
-rxn:4:222193:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c3ccccc23)CC1,PUCBSWOSMFECPF-UHFFFAOYSA-N
-rxn:4:222361:225990,CCCCn1nc(C(F)(F)F)cc1-c1cnc(N2CC3CN(c4ncnc5c4ncn5CCOC)CC3C2)nc1,JTUNAMVTQSFXTH-UHFFFAOYSA-N
-rxn:4:222367:222693,O=S(=O)(NC1CCCCC1)c1ccc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)cc1,OKDCTRFIVOFODN-UHFFFAOYSA-N
-rxn:4:222389:177845,CCOc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C2OCCO2)c1,SIXVFDIYDUXYQJ-UHFFFAOYSA-N
-rxn:4:222389:206932,CN1CCN(Cc2c(F)cccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)CC1,CLFJYJMYFSPKQI-UHFFFAOYSA-N
-rxn:4:222389:219979,Cc1ccnc(N2CCN(Cc3ccccc3-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)CC2)n1,YVLRXNKVOGEDFO-UHFFFAOYSA-N
-rxn:4:222540:222380,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(C(=O)NCCN7CCCCC7)c6)cn5)CC4C3)ncnc21,RHLLCLGWXFNADP-UHFFFAOYSA-N
-rxn:4:222581:187580,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)o2)c2ccccc12,BOQVRWFRJNYFQU-UHFFFAOYSA-N
-rxn:4:222722:218886,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)C1,LYQGIFRUWAQYIK-UHFFFAOYSA-N
-rxn:4:222752:178381,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,FNQWGUDADWFYPM-UHFFFAOYSA-N
-rxn:4:223083:215989,Cc1nc(N2CCC(O)C2)ncc1-c1ccc(N2CCC(N3CCN(C)CC3)CC2)cc1,GHWGOTZCGBMPKI-UHFFFAOYSA-N
-rxn:4:223092:207081,CN(C)S(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)c1,XJVLQWWOGGGOMG-UHFFFAOYSA-N
-rxn:4:223521:197984,Cc1cc2c(n1-c1ccc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc1)CC(C)(C)CC2=O,RFJIHJFABGWZKZ-UHFFFAOYSA-N
-rxn:5:177190:223056:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCC(O)CC3)nc2)c1,HBKIOFWYNDKKNO-UHFFFAOYSA-N
-rxn:5:177190:223056:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCC(O)CC3)nc2)c1,OSHOKLNPTKGYQB-UHFFFAOYSA-N
-rxn:5:177190:225455:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cc(N3CCCCC3)ccc2C)c1,NLDZANXFQNKOAZ-UHFFFAOYSA-N
-rxn:5:177190:225455:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,XJBJSVKBNLDEKB-UHFFFAOYSA-N
-rxn:5:177190:225455:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cc(N3CCCCC3)ccc2C)c1,PNHAUUYPAXHEGX-UHFFFAOYSA-N
-rxn:5:177190:225461:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCCCC3)cc2C)c1,SFTYGDVBLCXNHA-UHFFFAOYSA-N
-rxn:5:177190:225461:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,BBHFATTWVWIDIT-UHFFFAOYSA-N
-rxn:5:177190:225461:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCCC3)cc2C)c1,NCHJQBYQNHSNSZ-UHFFFAOYSA-N
-rxn:5:177190:225462:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccc(N3CCC(C)CC3)c2)c1,NUULPNXOWHIQEM-UHFFFAOYSA-N
-rxn:5:177190:225462:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCC(C)CC3)c2)c1,XAGNCJPOSYRXCX-UHFFFAOYSA-N
-rxn:5:177190:225633:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,FNXWPEWATCMYRK-UHFFFAOYSA-N
-rxn:5:177190:225636:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccnc(N3CCC(C)CC3)c2)c1,BYXDOXBXLXFJCS-UHFFFAOYSA-N
-rxn:5:177190:225636:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccnc(N3CCC(C)CC3)c2)c1,QVZBWXJJPRDXNC-UHFFFAOYSA-N
-rxn:5:177190:225638:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCC(C)CC3)nc2)c1,BGDOJIKLLNTLCZ-UHFFFAOYSA-N
-rxn:5:177190:225638:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCC(C)CC3)nc2)c1,ZWZIVWTVLZAFSW-UHFFFAOYSA-N
-rxn:5:177190:225639:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccnc2N2CCC(C)CC2)c1,DUKWHVJPNRQSTL-UHFFFAOYSA-N
-rxn:5:177190:225639:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cccnc2N2CCC(C)CC2)c1,FBTYOERSWBUSJN-UHFFFAOYSA-N
-rxn:5:177190:225641:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccnc(N3CCCC(C)C3)c2)c1,GIXRWJIJTGJMAK-UHFFFAOYSA-N
-rxn:5:177190:225641:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccnc(N3CCCC(C)C3)c2)c1,VAUBCVGWQPVZAN-UHFFFAOYSA-N
-rxn:5:177190:225655:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cncc(N3CCC(C)CC3)c2)c1,VKCIJKFANFTYPF-UHFFFAOYSA-N
-rxn:5:177190:225805:225623,CCS(=O)(=O)Cc1ccc(-c2cccc(OC3CCOCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,NJBQSJAWNZHLNB-UHFFFAOYSA-N
-rxn:5:177190:226583:222982,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CC[C@@H](O)C3)cc2)c(-c2ccc(CN3CCOCC3)s2)c1,WTBNNWSPNNDKCZ-RUZDIDTESA-N
-rxn:5:177730:223131:225439,CC(c1cccc(-c2ccc(-c3ccc(N4CCNCC4)cc3)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,PHZFGAFSTHQXKA-UHFFFAOYSA-N
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-rxn:5:178353:223065:226663,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1ccc(N2CCSCC2)nc1,RCWCVRGXIPVEJE-UHFFFAOYSA-N
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-rxn:5:180022:225639:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2cccnc2N2CCC(C)CC2)c1C1OCCO1,LLMLAIWVQSLQHH-UHFFFAOYSA-N
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-rxn:5:180022:225881:226174,COc1c(-c2ccc(C3CCCCC3)nc2)ccc(-c2ccc(C3CCOCC3)nc2F)c1C1OCCO1,OUYRNEBOQXSGJH-UHFFFAOYSA-N
-rxn:5:180421:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cnccc1C1CCCNC1,OCHQVXIJXGTTPN-UHFFFAOYSA-N
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-rxn:5:180662:225638:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccc(N4CCC(C)CC4)nc3)c2OC1,FKUINFLILGLUBY-UHFFFAOYSA-N
-rxn:5:180662:225677:227067,COC(=O)C1=Cc2cc(-c3ccc(OC)cc3C3CC3)cc(-c3ccc(C4CCCCC4)nc3F)c2OC1,MXDZIZHBPDXTTA-UHFFFAOYSA-N
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-rxn:5:181906:225805:223139,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1,XCBDNSWHFSNYTA-UHFFFAOYSA-N
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-rxn:5:181908:225514:225684,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCOCC3)nc2C)cc1C1OCCO1,CIYJCVQVHIGRLV-UHFFFAOYSA-N
-rxn:5:181908:225634:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cnc(N3CCCCC3)c(C)c2)c(C2CCCNC2)c1,OURSDFCVPMHYSP-UHFFFAOYSA-N
-rxn:5:182009:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnn2C2CCCCO2)cc1C1CCOCC1,AUGDVCOUPRMQAN-UHFFFAOYSA-N
-rxn:5:182009:226652:223064,Cc1cc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2C2CCOCC2)n(C2CCCCO2)n1,ISURAGMBPUCDTE-UHFFFAOYSA-N
-rxn:5:182010:222956:222987,Cc1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3C)ccc2C2CCOCC2)c(C2CCCNC2)c1,NHVNFLOIODFNOT-UHFFFAOYSA-N
-rxn:5:182010:226686:225976,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1C1CCOCC1,ZMJMDMHRAFCZTR-UHFFFAOYSA-N
-rxn:5:182012:227386:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCC3)c2)cc1C1CCCOC1,VMLTWKTXAUOABR-UHFFFAOYSA-N
-rxn:5:183062:225671:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCCC3)ncc2F)cc2c1OCCCO2,CJOFFFYZWKVUNS-UHFFFAOYSA-N
-rxn:5:183189:225683:223061,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc2c1OC(C)(C)OC2,JZMSJVLHJQUTNA-UHFFFAOYSA-N
-rxn:5:183228:222996:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(F)cc2C2CCCNC2)cc2c1OC(C)(C)CC2,KWUQFYJBTURXCQ-UHFFFAOYSA-N
-rxn:5:188930:227437:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCO3)c2)cc1-c1cccnc1N1CCC(C)CC1,VAMZMVQTRYDQQY-UHFFFAOYSA-N
-rxn:5:189000:225933:225884,CC(C)Oc1cc(-c2cc(C3CC3)nc(C(F)(F)F)c2)c(-c2ccc(C3COCCO3)c(F)c2)cc1[N+](=O)[O-],KLXOBERMFNIJBB-UHFFFAOYSA-N
-rxn:5:189207:222404:228825,Cc1cc(F)c(-c2ccc(-c3ccc(C4NC(=O)NC4=O)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1F,MLFPMABYTIBSPP-UHFFFAOYSA-N
-rxn:5:189208:226580:228388,Cc1cnc(C(F)F)cc1-c1cc(-c2cc(C(=O)N(C)C)ccc2F)ccc1C(=O)ON1C(=O)CCC1=O,MYNSPEBCBQPTDB-UHFFFAOYSA-N
-rxn:5:189208:226744:227569,CCc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3c(OC)ccc(F)c3OC)c2)cnc1C(F)(F)F,DARPHJGHANADDR-UHFFFAOYSA-N
-rxn:5:189209:226026:226182,CN(C)S(=O)(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccnc3C3CCCCC3)c2)cc1F,IYAXOLWCIOTFRM-UHFFFAOYSA-N
-rxn:5:189448:225439:227662,COC1CN(C(=O)c2ccc(-c3cccc(C(C)N4CCCC4)c3)c(-c3ccc(C)cc3C(F)(F)F)c2)C1,RSUSYDKDCOXIRH-UHFFFAOYSA-N
-rxn:5:189449:226371:225809,COC1CN(C(=O)c2cc(-c3cc(F)ccc3OC3CCOC3)ccc2-c2cnc(N3CCCC3)cc2C)C1,QMMNKKIGRPDHFA-UHFFFAOYSA-N
-rxn:5:189667:226058:223018,CC(C)c1cccc(C(C)C)c1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,KYZOMSOAXPNSIR-BHMBMEIHSA-N
-rxn:5:189670:226862:226415,CC(C)(C)S(=O)/N=C/c1cc(-c2cccc(OC(F)(F)F)c2F)ccc1-c1ccccc1N1CCOCC1,ZVTLHYGBWBGPFH-DPNNOFEESA-N
-rxn:5:189827:225507:226901,COC(=O)C1CCc2cc(-c3cc(CC(=O)N4CCOCC4)ccc3-c3cccc(S(F)(F)(F)(F)F)c3)ccc21,KCTCRZZZQRXLMG-UHFFFAOYSA-N
-rxn:5:189829:227711:225814,COc1c(-c2cccc(C3(C(F)(F)F)CC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccc(F)c(OC(F)F)c1,BWCYEBWVZXTWGK-UHFFFAOYSA-N
-rxn:5:189908:226041:227766,CCn1nc(C(F)(F)F)cc1-c1ncc(-c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1OCC1CCCCC1,QSCOLYDGLIICBS-UHFFFAOYSA-N
-rxn:5:189908:226326:226428,CC1CCCCN1c1csc(-c2ncc(-c3cccc(C4(C#N)CC4)c3F)cc2OCC2CCCCC2)c1,QCWCJEHNBKVSTB-UHFFFAOYSA-N
-rxn:5:190131:228178:226146,COCc1ccc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(SC4CCCC4)cc3)c2OC)c1,LCYHUEGSYCTVHC-UHFFFAOYSA-N
-rxn:5:190131:228326:225631,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(N4CCN(C)CC4)cc3)c2OC)cc(OC)n1,LHKMJMVVNSUNPL-UHFFFAOYSA-N
-rxn:5:190194:226064:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)cc2)c1OC,FOBZMULGELBVEP-UHFFFAOYSA-N
-rxn:5:190195:223113:223061,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cc(C3CCNCC3)ncc2F)c1)C1CCOCC1,ZAMGVMFGHIUKQC-UHFFFAOYSA-N
-rxn:5:190195:227337:226046,CC(C)Oc1ccc(F)cc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccnc(C(F)(F)C(F)(F)F)c1,ZCAYGVZVPXPLED-UHFFFAOYSA-N
-rxn:5:190196:227977:226427,COc1cc(C)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(N4CCC(C)CC4)cs3)c2)cc1C,LEXSUBKWMFCZLM-UHFFFAOYSA-N
-rxn:5:190197:223056:222958,Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)cc1C1CCNCC1,CQVDEQSVTWRBME-UHFFFAOYSA-N
-rxn:5:190199:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)c(CN(C)C2CCOCC2)c1,BAIUUMLCAUEXRZ-UHFFFAOYSA-N
-rxn:5:190264:223062:227804,CC1CCN(C(=O)Cc2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])c(-c3cnc(C4CCNCC4)cc3F)c2)CC1,VSJNLANQVQYRFX-UHFFFAOYSA-N
-rxn:5:190335:223001:228305,COc1c(-c2cnc(OC(C)C)cn2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CCCNC2)ccc1F,LXQCWJGRMOBPLI-UHFFFAOYSA-N
-rxn:5:190335:226329:226921,COc1c(-c2ccc(C3(C#N)CC3)c(F)c2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CC2)c(C)cc1C,XHYRXYJRSMPDIR-UHFFFAOYSA-N
-rxn:5:190335:226644:228612,COc1cccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cncc(N4CCOCC4)c3)c2OC)c1C,XPKLEVMTYHPHBE-UHFFFAOYSA-N
-rxn:5:190335:229185:222959,COc1c(-c2cc(F)nc(F)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccc(C2CCNCC2)c(C)c1,HVHPHHUPOKDXIM-UHFFFAOYSA-N
-rxn:5:190404:226146:227525,CCc1cnc(C(F)F)cc1-c1ccccc1C1CCN(C(=O)c2ccc(-c3ccc(SC4CCCC4)cc3)o2)CCS1,SVTZDBMYDYJZHJ-UHFFFAOYSA-N
-rxn:5:190484:223240:227506,O=C(c1cccc(-c2ccc(C3CCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,ZJWBDBOFOCOHKQ-NBVRZTHBSA-N
-rxn:5:190484:227501:226645,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccnc(N3CCOCC3)c2)S(=O)(=O)CC1,AKWQKVBEWHZKGS-UHFFFAOYSA-N
-rxn:5:190484:227826:227412,CC(C)(C)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)c1,UHSVJDWARADYHW-UHFFFAOYSA-N
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-rxn:5:193710:225982:225873,O=C1COCCN1c1cccc(-c2ccc(C=C3SC(=S)N(c4cccc(-c5cnc(N6CCOCC6)cc5F)c4)C3=O)cc2)c1,SXTUXJCLESGALL-UHFFFAOYSA-N
-rxn:5:193754:226183:225438,CC1CCN(C(=O)c2cccc(-c3cnccc3C3CCCCC3)c2-c2ccc(C(C)N3CCCC3)cc2)CC1,DUCSKYAHZOSYLT-UHFFFAOYSA-N
-rxn:5:193754:226664:227710,CC1CCN(C(=O)c2cccc(-c3cc(N4CCCC4)ncc3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,QHAHRLHKWNHHLC-UHFFFAOYSA-N
-rxn:5:193754:226679:227710,CC1CCN(C(=O)c2cccc(-c3cnc(N4CCCC4)cc3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,BPXXAUPWNNEEQV-UHFFFAOYSA-N
-rxn:5:193867:225465:228503,CN1CCC(c2cccc(-c3cc(-c4ccc5c(c4)CCC5)cc(C4(N5CCC(=O)CC5)CC4)c3)c2)CC1,PVYYFRZPJWKWBT-UHFFFAOYSA-N
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-rxn:5:193869:223191:227379,CNS(=O)(=O)c1ccc(-c2cc(C)c(-c3cccnc3N3CCCC3)cc2S(=O)(=O)N2CCCCC2)cc1F,AHVONXVZNKMQKN-UHFFFAOYSA-N
-rxn:5:193869:225985:223147,Cc1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CNCCO2)cc1,HBCHGJYRFGSAJP-UHFFFAOYSA-N
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-rxn:5:193869:227379:225849,Cc1cc(-c2cccnc2N2CCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,BJAUACRHCLGEKJ-UHFFFAOYSA-N
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-rxn:5:193869:229013:225849,Cc1cc(-c2sccc2C2CC2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,UXRHGFSUTDAHAC-UHFFFAOYSA-N
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-rxn:5:193870:225636:228635,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(F)c(C)c2C)cc1-c1ccnc(N2CCC(C)CC2)c1,PLHUEJGUOZZCMI-UHFFFAOYSA-N
-rxn:5:193870:225849:229013,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2sccc2C2CC2)cc1-c1cnc(N2CCCCC2)cc1F,BAAHBULNDGPSBI-UHFFFAOYSA-N
-rxn:5:193870:226181:227831,CCc1c(C)cc(-c2cc(-c3ccc(C4=CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1C,BNNQKJXCFAAWHI-UHFFFAOYSA-N
-rxn:5:193870:227115:227379,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccnc2N2CCCC2)cc1-c1cc(C)c(C2CC2)cc1F,CHSKMPPVGLBGJA-UHFFFAOYSA-N
-rxn:5:193870:227379:227115,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C)c(C3CC3)cc2F)cc1-c1cccnc1N1CCCC1,MMHWTVNYYQDCJP-UHFFFAOYSA-N
-rxn:5:193870:228221:225634,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)c(C)c2)cc1-c1cc(F)nc(C2CC2)c1,SRLSUVHOTJZXEM-UHFFFAOYSA-N
-rxn:5:193870:228559:225849,CCOc1ccc(-c2cc(-c3cnc(N4CCCCC4)cc3F)c(S(=O)(=O)N3CCCCC3)cc2C)cc1,MDNCXIYPJXXYQJ-UHFFFAOYSA-N
-rxn:5:193912:223004:226827,Cc1c(C(F)(F)F)ccc(-c2ccc(C3C(=O)N(c4ccc(-c5ccc(C6CCNCC6)c(F)c5)cc4)C(=O)CS3=O)cc2)c1F,WANHIIWNKVZNRN-UHFFFAOYSA-N
-rxn:5:193932:223001:227657,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(N4CCOCC4)s3)c(-c3cc(C4CCCNC4)ccc3F)c2)C1,SFVINHWLCSUELU-UHFFFAOYSA-N
-rxn:5:193967:225661:225610,Cc1cc(N2CCOCC2)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccn(C(=O)c3ccccc3)c2)c1,PACLCEOTCNMRPO-UHFFFAOYSA-N
-rxn:5:193967:226175:227311,CCC(C)c1cc(F)c(-c2cc(-c3ccc(N4CCCC4)cc3C)ccc2CN2CCC3(CC2)OCCO3)cn1,OHLQOOAAPWIEIE-UHFFFAOYSA-N
-rxn:5:193967:226457:228192,Cc1nc(N(C)C)ccc1-c1cc(-c2ccc(C3CCOC3)c(F)c2)ccc1CN1CCC2(CC1)OCCO2,AVBALLSVBLHXPO-UHFFFAOYSA-N
-rxn:5:193968:228239:225944,COc1nc(C)c(-c2ccc(-c3c(F)cc(F)c(OC(C)C)c3F)c(CN3CCC4(CC3)OCCO4)c2)cc1C,OQWHZHDODYMSTO-UHFFFAOYSA-N
-rxn:5:193972:227379:227831,CCc1c(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccnc3N3CCCC3)cc2C)cc1C,XBZVIRGRDLVOBR-UHFFFAOYSA-N
-rxn:5:193972:227379:228221,Cc1cc(-c2cccnc2N2CCCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)nc(C2CC2)c1,VGCNYSXVNMCOHX-UHFFFAOYSA-N
-rxn:5:193972:227831:227379,CCc1c(C)cc(-c2cc(C)c(-c3cccnc3N3CCCC3)cc2S(=O)(=O)N2CCCCCC2)cc1C,ZLCBMOFOFOFVES-UHFFFAOYSA-N
-rxn:5:193972:228714:222982,Cc1cc(-c2cnc(C#N)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(CN2CC[C@@H](O)C2)cc1,PAVLDUXYEWTYMJ-HHHXNRCGSA-N
-rxn:5:193972:229013:226679,Cc1cc(-c2sccc2C2CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCC2)cc1F,FQUQREZUKDRTIM-UHFFFAOYSA-N
-rxn:5:194058:223054:223065,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCC(O)C1,VBOJXVFGJMHNCW-UHFFFAOYSA-M
-rxn:5:194058:223054:225640,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCCCC3C)c2)s1)N1CCC(O)C1,JISFHSMAEOIEBI-UHFFFAOYSA-M
-rxn:5:194058:223054:225666,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(N3CCCCC3)c2)s1)N1CCC(O)C1,GQNQUGYQQXXGOA-UHFFFAOYSA-M
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-rxn:5:194058:223054:225834,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCCCC3)ncc2F)s1)N1CCC(O)C1,GHLDQIUFMZOTKX-UHFFFAOYSA-M
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-rxn:5:194058:223054:226425,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3C)s2)s1)N1CCC(O)C1,YEWMCRAHHLODEH-UHFFFAOYSA-M
-rxn:5:194058:223054:226661,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCC(O)C1,NUZOLWLPOVHUHF-UHFFFAOYSA-M
-rxn:5:194058:223065:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCC(O)C1,HEEFQLXTMDSGPG-UHFFFAOYSA-M
-rxn:5:194058:223065:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCCCC1,RTNASOOPSXJMMZ-UHFFFAOYSA-M
-rxn:5:194058:225438:223054,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc1)N1CCCC1,PKDUPCLXKZKZCO-UHFFFAOYSA-M
-rxn:5:194058:225455:225607,Cc1ccc(N2CCCCC2)cc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCCCC2)s1,SSKPYRXQCFUZNI-UHFFFAOYSA-M
-rxn:5:194058:225456:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCN(C)CC3)cc2)s1)N1CCCCC1,OSNCWKZLZYYLSZ-UHFFFAOYSA-M
-rxn:5:194058:225461:225607,Cc1cc(N2CCCCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCCCC2)s1,PSBJWSUZEDBBAL-UHFFFAOYSA-M
-rxn:5:194058:225465:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(C3CCN(C)CC3)c2)s1)N1CCCCC1,XSCREGIVSUWIKJ-UHFFFAOYSA-M
-rxn:5:194058:225576:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCC3)c(C#N)c2)s1)N1CCCCC1,OHTKQKFPRKXYID-UHFFFAOYSA-M
-rxn:5:194058:225583:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(C(=O)N3CCCC3)c2)s1)N1CCC(O)C1,JERDYSJCOWIZMU-UHFFFAOYSA-M
-rxn:5:194058:225607:223065,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCNCC3)cc2F)s1)N1CCCCC1,LHQUPIRIYGNQHD-UHFFFAOYSA-M
-rxn:5:194058:225607:225454,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3=CCN(C)CC3)cc2)s1)N1CCCCC1,WRMRNAQBEYOTEC-UHFFFAOYSA-M
-rxn:5:194058:225607:225456,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCN(C)CC3)cc2)s1)N1CCCCC1,HEZSDVSPAASIIL-UHFFFAOYSA-M
-rxn:5:194058:225607:225465,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(C3CCN(C)CC3)c2)s1)N1CCCCC1,HPBMPXJOMHTDMC-UHFFFAOYSA-M
-rxn:5:194058:225607:225576,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCC3)c(C#N)c2)s1)N1CCCCC1,OKBDMQVDKUWJFG-UHFFFAOYSA-M
-rxn:5:194058:225607:225679,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3)cc2F)s1)N1CCCCC1,OXSFYYRBRMCXET-UHFFFAOYSA-M
-rxn:5:194058:225607:225804,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(=O)N3CCC3)c(F)c2)s1)N1CCCCC1,XSIHSRUNEKCDML-UHFFFAOYSA-M
-rxn:5:194058:225640:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(N3CCCCC3C)c2)s1)N1CCC(O)C1,CUFHEYCSVMEEEN-UHFFFAOYSA-M
-rxn:5:194058:225655:225607,CC1CCN(c2cncc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)CC1,ZAYBNFIFNODPMN-UHFFFAOYSA-M
-rxn:5:194058:225666:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(N3CCCCC3)c2)s1)N1CCC(O)C1,FDEVKSOUVJOIHO-UHFFFAOYSA-M
-rxn:5:194058:225805:226662,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCOCC1,APCMZSYWNUYVNT-UHFFFAOYSA-M
-rxn:5:194058:226425:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCCC3C)s2)s1)N1CCC(O)C1,NCHDLQDRIWHKSR-UHFFFAOYSA-M
-rxn:5:194058:226428:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCCCC3C)cs2)s1)N1CCC(O)C1,DHYVYSMQWLUGOR-UHFFFAOYSA-M
-rxn:5:194058:226662:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCC(O)C1,QBKXQWYZNGPRFY-UHFFFAOYSA-M
-rxn:5:194058:226662:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCOCC1,JTUAZZLLZHMZJY-UHFFFAOYSA-M
-rxn:5:194522:223132:225985,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCNCC3)c1)c2-c1cccc(N2CCCS2(=O)=O)c1,UTMWZVNORISNIM-UHFFFAOYSA-N
-rxn:5:194522:223133:225985,CC(C)CN1CCc2c1ccc(-c1ccccc1N1CCNCC1)c2-c1cccc(N2CCCS2(=O)=O)c1,XSTVGOAEGRTGIY-UHFFFAOYSA-N
-rxn:5:194522:225985:223132,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1cccc(N2CCNCC2)c1,BSTDOJQVFLBRQR-UHFFFAOYSA-N
-rxn:5:194522:225985:225633,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccc(N2CCCCCC2)nc1,ZKIOEECBHYDUJP-UHFFFAOYSA-N
-rxn:5:194522:225985:226364,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccc(N2CCCCC2)nc1,AJQURZODWILFOX-UHFFFAOYSA-N
-rxn:5:194522:225985:226366,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccnc(N2CCCCC2)c1,WZIBVYBCUIXLGO-UHFFFAOYSA-N
-rxn:5:194522:225985:226395,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1cncc(N2CCCCC2)c1,VIOLHWGJQGLASU-UHFFFAOYSA-N
-rxn:5:194522:226364:225985,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCCCC3)nc1)c2-c1cccc(N2CCCS2(=O)=O)c1,DHZDKSMGVMRXHD-UHFFFAOYSA-N
-rxn:5:194522:226366:225985,CC(C)CN1CCc2c1ccc(-c1ccnc(N3CCCCC3)c1)c2-c1cccc(N2CCCS2(=O)=O)c1,GZMDMRRKXRYKBX-UHFFFAOYSA-N
-rxn:5:194522:226395:225985,CC(C)CN1CCc2c1ccc(-c1cncc(N3CCCCC3)c1)c2-c1cccc(N2CCCS2(=O)=O)c1,BAIXWBFFYVQJBY-UHFFFAOYSA-N
-rxn:5:194561:225454:227590,CN1CC=C(c2ccc(-c3ccc(-c4ccc(CC(F)(F)F)cc4)c(C(=O)N4C5CCC4COC5)c3)cc2)CC1,DALZMUBMXNJIAX-UHFFFAOYSA-N
-rxn:5:194733:228625:227041,CCOc1cc(C)c(-c2ccc(-c3ccc(CC)cc3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1C,AGPKPDYEHQRWHR-UHFFFAOYSA-N
-rxn:5:194733:228923:227983,CSc1ccnc(F)c1-c1ccc(-c2ccccc2[Si](C)(C)C)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,RHYXTLHICBYJOU-UHFFFAOYSA-N
-rxn:5:194767:225849:225849,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCCC5)cc4F)ccc3-c3cnc(N4CCCCC4)cc3F)C2)c2ccccc21,ZTXUKHIEJCAXMR-UHFFFAOYSA-N
-rxn:5:194767:226794:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCSCC5)nc4)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,FBZRHBUDSLCZNE-UHFFFAOYSA-N
-rxn:5:194792:227610:226195,Cc1cccc(-c2csc(-c3ccc(N4C(=O)C5C(c6ccc(-c7ccn(C8CCCCO8)n7)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)c2)c1,SLTXKEIEYGNYLK-UHFFFAOYSA-N
-rxn:5:196408:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2C2CCCNC2)ccc1C1=NOCCO1,YMGGCNLQKDFKMO-UHFFFAOYSA-N
-rxn:5:196408:225832:225674,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCCC3)cc2F)ccc1C1=NOCCO1,SXHOWXRGFDXYDX-UHFFFAOYSA-N
-rxn:5:196408:225832:226181,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3=CCCCC3)nc2)ccc1C1=NOCCO1,HBTNYKTTWDKZPO-UHFFFAOYSA-N
-rxn:5:196408:225926:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(C2=NOCCO2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,VORXPXLQTPDCOO-UHFFFAOYSA-N
-rxn:5:196408:225986:225655,CC1CCN(c2cncc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)CC1,HTWWZDWMZIKUHO-UHFFFAOYSA-N
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-rxn:5:196789:223061:225784,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(CN2CCOCC2)nc1,SHOQAKKQIMQRSM-UHFFFAOYSA-N
-rxn:5:196789:225833:223065,O=C1COCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccc(N2CCNCC2)cc1F,SOIXVDBBTGPCFA-UHFFFAOYSA-N
-rxn:5:196789:225976:223006,O=C1COCCN1c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(F)c(C2CCNCC2)c1,OIUZVXSSSAPPFC-UHFFFAOYSA-N
-rxn:5:196789:226395:225976,O=C1COCCN1c1ccc(-c2cncc(N3CCCCC3)c2)cc1-c1ccnc(N2CCOCC2)c1F,FPIDWTPHEQGCJX-UHFFFAOYSA-N
-rxn:5:196791:226395:225833,O=C1COCCN1c1cccc(-c2cncc(N3CCCCC3)c2)c1-c1ccnc(N2CCCCC2)c1F,LUWKYRBHPXDKDP-UHFFFAOYSA-N
-rxn:5:196794:225987:225806,O=C1COCCN1c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cnc(OC2CCCC2)cc1F,XMPSZTXLHDVAQU-UHFFFAOYSA-N
-rxn:5:196859:222988:223001,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2cc(C3CCCNC3)ccc2F)cc(C2CCNCC2)n1,UWHJJRPCKPCINO-UHFFFAOYSA-N
-rxn:5:196859:226686:225514,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1cccc2c1OCC1(CC1)CO2,ITMUCGCDQAUQRE-UHFFFAOYSA-N
-rxn:5:196871:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)cc1N1CCOCC1,NYBNJJNPVRSAKA-UHFFFAOYSA-N
-rxn:5:196917:225833:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccnc(N3CCCCC3)c2F)=N1,PRBSJIPJMRTRRE-UHFFFAOYSA-N
-rxn:5:196917:225834:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,WSKXBOBVGUHDTO-UHFFFAOYSA-N
-rxn:5:196917:225985:226395,CC1(C)COC(c2cc(-c3cncc(N4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,JTCLBOBSDGXBPC-UHFFFAOYSA-N
-rxn:5:196917:226395:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cncc(N3CCCCC3)c2)=N1,NMCCGYHNXYFMDV-UHFFFAOYSA-N
-rxn:5:196917:226664:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(N3CCCC3)ncc2F)=N1,AFNCXEUNCXVKFD-UHFFFAOYSA-N
-rxn:5:196917:226679:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cnc(N3CCCC3)cc2F)=N1,ORHFPHALEFIFSP-UHFFFAOYSA-N
-rxn:5:196919:225985:225833,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(N3CCCCC3)c2F)=N1,FOEFDZOOAOYNBZ-UHFFFAOYSA-N
-rxn:5:196919:225985:225834,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cc(N3CCCCC3)ncc2F)=N1,VTIJUZAKNQNCJH-UHFFFAOYSA-N
-rxn:5:196919:225985:225849,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cnc(N3CCCCC3)cc2F)=N1,MQXKUWXEMMXQJZ-UHFFFAOYSA-N
-rxn:5:196919:225985:226395,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cncc(N3CCCCC3)c2)=N1,ALZOMBVCEIABCO-UHFFFAOYSA-N
-rxn:5:196919:225985:226664,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cc(N3CCCC3)ncc2F)=N1,PLORRCJBOZVXDU-UHFFFAOYSA-N
-rxn:5:196919:225985:226679,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cnc(N3CCCC3)cc2F)=N1,QXZFMLRHSFDAGO-UHFFFAOYSA-N
-rxn:5:196919:226395:225985,CC1(C)COC(c2ccc(-c3cncc(N4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,QFLPBYKEQMWQBA-UHFFFAOYSA-N
-rxn:5:196919:226679:225926,CC1(C)COC(c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,VUADTRVFSMJMOJ-UHFFFAOYSA-N
-rxn:5:196969:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2CCCCCC2)cc1,WMNBKKIIYZVKSG-UHFFFAOYSA-N
-rxn:5:196969:225832:225672,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cc(F)nc(C2CCCCC2)c1,SODLECFGMZADJM-UHFFFAOYSA-N
-rxn:5:197876:226366:226366,CC(C)(C)N1C(=O)c2cc(-c3ccnc(N4CCCCC4)c3)c(-c3ccnc(N4CCCCC4)c3)cc2S1(=O)=O,VTNFLKQJCDGZSR-UHFFFAOYSA-N
-rxn:5:197876:227415:227087,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VZINRHRBYWJXGO-UHFFFAOYSA-N
-rxn:5:198558:225805:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4ccc(C(C)N5CCOCC5)s4)ccc32)s1)N1CCOCC1,DSLBEQRWWMQEBT-UHFFFAOYSA-N
-rxn:5:199129:223007:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)cc(C3CCNCC3)c2)cc2c1OCCN=C2,MGXUYZOCBZFPCD-UHFFFAOYSA-N
-rxn:5:225636:181908:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(N3CCC(C)CC3)c2)cc1C1CCNCC1,WSKDXGSXRLWZIB-UHFFFAOYSA-N
-rxn:5:225639:180022:226382,COc1c(-c2cnc(C3CCCCC3)nc2)ccc(-c2cccnc2N2CCC(C)CC2)c1C1OCCO1,DKAFEKBHJKDAFG-UHFFFAOYSA-N
-rxn:5:225639:196979:225985,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(N3CCCCC3)c2)CC1,SHMGNMJROHREID-UHFFFAOYSA-N
-rxn:5:225653:181905:222987,Cc1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)nc1,CGDWLUMQDXOQPX-UHFFFAOYSA-N
-rxn:5:225683:181904:222986,Cc1cc(-c2c(-c3ccc(C4CCCOC4)nc3C)ccc(C3OCCO3)c2C)cc(C2CCCNC2)n1,WBFSWYRMHRDBQT-UHFFFAOYSA-N
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-rxn:5:225832:181625:223062,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1C1OCCO1,AAABZHAUUCQCCT-UHFFFAOYSA-N
-rxn:5:225832:196858:226364,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1ccc(N2CCCCC2)nc1,QNZHPSSAJJLYLH-UHFFFAOYSA-N
-rxn:5:225832:196970:223134,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cnccc1C1CCCNC1,DWQKIOLRGWKFOV-UHFFFAOYSA-N
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-rxn:5:225849:196917:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cnc(N3CCCCC3)cc2F)=N1,AXGGKOBNBKNJBA-UHFFFAOYSA-N
-rxn:5:225881:180022:223134,COc1c(-c2cnccc2C2CCCNC2)ccc(-c2ccc(C3CCOCC3)nc2F)c1C1OCCO1,XHMKECFPZLGRTG-UHFFFAOYSA-N
-rxn:5:225881:182012:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C1CCCOC1,CEDZKWZSNZUVQB-UHFFFAOYSA-N
-rxn:5:226058:178295:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,ZPAGMIPDTVTSJR-UHFFFAOYSA-N
-rxn:5:226058:178295:228932,COC(=O)C1(c2cc(-c3cc(F)nc(OC)c3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,PKVFFEDINLQDJR-UHFFFAOYSA-N
-rxn:5:226069:178295:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cccc(C3CCCCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,WAMXERTZBIUILK-UHFFFAOYSA-N
-rxn:5:226069:196970:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cccc(C2CCCCC2)c1,MVTPDHVBRQKGKC-UHFFFAOYSA-N
-rxn:5:226069:196971:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc(C3CCCCC3)c2)ncc1C1CCCCC1,CKHRACKMZRDJCU-UHFFFAOYSA-N
-rxn:5:226085:178295:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,IURHHSCCZDCMEE-UHFFFAOYSA-N
-rxn:5:226189:178295:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(C4CCCC4)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PYWSXXBPQBAXJC-UHFFFAOYSA-N
-rxn:5:226190:178295:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C4CCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NULIPWDMIJPGIO-UHFFFAOYSA-N
-rxn:5:226211:178295:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,MKJSSONXMZQBMY-UHFFFAOYSA-N
-rxn:5:226322:178295:228504,COC(=O)C1(c2cc(-c3cccc4c3CCC4)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,SGJYNARTQVSDFZ-UHFFFAOYSA-N
-rxn:5:226322:178295:228510,COC(=O)C1(c2cc(-c3ccccc3C(C)C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,FZKGIEXZDBONDG-UHFFFAOYSA-N
-rxn:5:226395:196971:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(N3CCCCC3)c2)ncc1C1CCCCC1,XNUNWDBLWITBGH-UHFFFAOYSA-N
-rxn:5:226432:196971:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCC3)nc2F)ncc1C1CCCCC1,XRNRCBJKPRWBLG-UHFFFAOYSA-N
-rxn:5:226432:197876:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,KBQVUYRCSVOBJP-UHFFFAOYSA-N
-rxn:5:226464:178118:226440,COc1ccc2c(c1-c1ccc(-c3cc(F)nc(C4CCCC4)c3)cc1OCC1CCCCO1)OCCO2,FWMZGFGRSCCLEE-UHFFFAOYSA-N
-rxn:5:226652:196970:225672,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2cc(F)nc(C3CCCCC3)c2)n(C2CCCCO2)n1,ZEWIEDDIWVUYLH-UHFFFAOYSA-N
-rxn:5:226686:183189:226654,Cc1cnn(C2CCCCO2)c1-c1cc(-c2csc(N3CCC(C)CC3)n2)cc2c1OC(C)(C)OC2,DDVKSXFAMGRBFT-UHFFFAOYSA-N
-rxn:5:226686:193541:223137,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)cc(-c2cncc(C3CCCNC3)c2)c1,HJECZMYIMYCUCG-UHFFFAOYSA-N
-rxn:5:226783:178295:228789,COC(=O)C1(c2cc(-c3ccc(F)cc3OC)ccc2-c2c(OC)cc(F)c(F)c2OC)CCC(=O)CC1,AAWCFICFKSZYQH-UHFFFAOYSA-N
-rxn:5:226907:178295:227346,CCCc1cc(F)c(-c2ccc(-c3cccc4c3CCC43CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,MJDNQCYZZAQWAA-UHFFFAOYSA-N
-rxn:5:226911:178295:227067,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(OC)cc2C2CC2)cc1C1(C(=O)OC)CCC(=O)CC1,MHZOIRCHQLHDOK-UHFFFAOYSA-N
-rxn:5:226911:178295:228567,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccsc2C(C)CC)cc1C1(C(=O)OC)CCC(=O)CC1,DAYOGIRMPMIULU-UHFFFAOYSA-N
-rxn:5:226914:178295:227818,CCC(C)c1cccc(-c2ccc(-c3ccc(CC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AFERMTUQNHQBNG-UHFFFAOYSA-N
-rxn:5:226914:178295:227909,CCC(C)c1cc(-c2ccc(-c3ccc(CC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,MDULHVLTDKHHCR-UHFFFAOYSA-N
-rxn:5:226914:178295:227970,COC(=O)C1(c2cc(-c3ccncc3C(C)(C)C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,LHBBGCKVMDNELK-UHFFFAOYSA-N
-rxn:5:226920:178295:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LHONZKCYCNDTEL-UHFFFAOYSA-N
-rxn:5:226959:178295:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,ACRWTBIZGLRJLA-UHFFFAOYSA-N
-rxn:5:227051:178295:227953,CCC(=O)c1ccc(-c2ccc(-c3ccc(N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,KEOZIAJQXNSNLX-UHFFFAOYSA-N
-rxn:5:227064:178295:228713,COC(=O)C1(c2cc(-c3ccn(C(C)(C)C)n3)ccc2-c2ccccc2OC(C)(C)C)CCC(=O)CC1,OOMRJSDDYQYIHX-UHFFFAOYSA-N
-rxn:5:227065:178295:227899,CCC#Cc1cncc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SOWRNYHBCZJVEP-UHFFFAOYSA-N
-rxn:5:227073:178295:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2cc(OC)cc(C3CC3)c2)CCC(=O)CC1,COKNIAJORNYSAY-UHFFFAOYSA-N
-rxn:5:227075:178295:223309,COC(=O)C1(c2cc(-c3ccc(NC(C)C)cc3)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,KAPPFSMBMYKPKV-UHFFFAOYSA-N
-rxn:5:227076:178295:227038,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QLBYGFCGEHIWBH-UHFFFAOYSA-N
-rxn:5:227077:178295:227939,CCC(C)c1ccc(-c2ccc(-c3ccccc3C(C)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,BLADECPKTCTICR-UHFFFAOYSA-N
-rxn:5:227079:178295:227963,COC(=O)C1(c2cc(-c3ccnc(C(C)(C)C)c3)ccc2-c2cc(CC(C)C)ccc2F)CCC(=O)CC1,BBPYQMMFUCJIBY-UHFFFAOYSA-N
-rxn:5:227086:180662:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3ccnc(C4CCCC4)c3)c2OC1,ICVKZKYACMTVAK-UHFFFAOYSA-N
-rxn:5:227124:178295:227950,COC(=O)C1(c2cc(-c3cc(N(C)C)ccc3C)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,OHDYPGJPXUHLEY-UHFFFAOYSA-N
-rxn:5:227282:178295:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C#N)cnc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OLFJPIWOCUQCIP-UHFFFAOYSA-N
-rxn:5:227309:178295:227810,CCC(C)c1ccc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,RWMHTHQUWCGOQO-UHFFFAOYSA-N
-rxn:5:227326:178295:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MQLWROGMOAZEIK-UHFFFAOYSA-N
-rxn:5:227340:178295:228146,CCc1cncc(-c2ccc(-c3ccc(C)c(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,IBXWALRLLDIJNC-UHFFFAOYSA-N
-rxn:5:227353:178295:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2c(C)cc(OC)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,NKOJOEMQELLOSZ-UHFFFAOYSA-N
-rxn:5:227523:178295:228279,CCc1cc(F)c(-c2ccc(-c3cc(C)ncc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,USJJIKQVDKHODW-UHFFFAOYSA-N
-rxn:5:227529:178295:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LFXKRCLLMQGESX-UHFFFAOYSA-N
-rxn:5:227540:178295:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,NOSYTQUDRHYKQH-UHFFFAOYSA-N
-rxn:5:227562:190194:225598,COc1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(CN3CCSCC3)c2)c1OC,AYQKGWOWXPAASM-UHFFFAOYSA-N
-rxn:5:227569:178295:228435,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3F)ccc2-c2c(OC)ccc(F)c2OC)CCC(=O)CC1,RLSVLXPNBKJSOX-UHFFFAOYSA-N
-rxn:5:227706:197876:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(OC)cnc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FSPRCXZIFZYDJS-UHFFFAOYSA-N
-rxn:5:227810:178295:226085,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,KOZPEXRMGQBWKE-UHFFFAOYSA-N
-rxn:5:227811:190833:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2ccc(CC(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,IZHZENWVZRMMKY-UHFFFAOYSA-N
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-rxn:5:227818:178295:227115,CCC(C)c1cccc(-c2ccc(-c3cc(C)c(C4CC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,PEVWXSIGEGXAPI-UHFFFAOYSA-N
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-rxn:4:174406:225110,COC(=O)C1(c2ccc(-c3ccc(OC(=O)OC(C)(C)C)cc3)cc2)CC(OC)(OC)C1,IJFDARGOZCIYMV-UHFFFAOYSA-N
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-rxn:4:174522:224566,COC(=O)C1(c2ccc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2)CCCC1,MSKIWIGUBYDVTO-UHFFFAOYSA-N
-rxn:4:174525:224566,CCCOc1c(-c2ccc(C3(C(=O)OC)CCCC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,QWVSUXRUZMIWOF-UHFFFAOYSA-N
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-rxn:4:174662:223583,CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5cn(C(=O)OC(C)(C)C)c6cc(C(=O)OC)ccc56)ccc3-4)cc21,MTQGLLQOFCIILZ-UHFFFAOYSA-N
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-rxn:4:175005:223559,CCOc1ccc(C(=O)OC)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,IMKUZQLABPEXRH-UHFFFAOYSA-N
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-rxn:4:175114:223559,CCCC(=O)Cc1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,VDXGTXACGGXZJQ-UHFFFAOYSA-N
-rxn:4:175221:223527,CCOC(=O)Cc1cccc(C)c1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,KTSJWOYQISJMNP-UHFFFAOYSA-N
-rxn:4:175822:224285,C#Cc1cc(F)c(OCC2CCOCC2)c(-c2ccc(OCCN3CCOCC3)cc2F)c1,XIEKVXDJSHOSNO-UHFFFAOYSA-N
-rxn:4:175908:224593,COc1cc(C2OCCO2)c(-c2ccc(F)c(CN3CCC(C)CC3)c2)c(OC)c1OC,ZPFHYMIBFKXRDI-UHFFFAOYSA-N
-rxn:4:176262:223866,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)c1)C2=O,YERNRRHOQDNSDN-UHFFFAOYSA-N
-rxn:4:177072:223787,CCC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc1C(F)(F)F,KYFXZSOEJVEQNB-UHFFFAOYSA-N
-rxn:4:177099:223559,C#Cc1c(OC(C)C)cccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,ROQFMBSJJBARBY-UHFFFAOYSA-N
-rxn:4:178381:225110,CC(C)(C)OC(=O)Oc1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1,ZHUMRYWULCLSKQ-UHFFFAOYSA-N
-rxn:4:178384:223014,COC(=O)c1cccc2[nH]c(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cc12,QYUGGFCTFHWEEB-UHFFFAOYSA-N
-rxn:4:178384:225976,Fc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1N1CCOCC1,YNLHNMWFWZURDK-UHFFFAOYSA-N
-rxn:4:178384:226603,COC(=O)c1cc(F)c(C)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,DCYSVTYSGBXQLF-UHFFFAOYSA-N
-rxn:4:178384:226659,Clc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1N1CCCC1,HWCYCCGBTCKHLW-UHFFFAOYSA-N
-rxn:4:178384:227268,CCOCc1ccc(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,CESANKXMMXOJDI-UHFFFAOYSA-N
-rxn:4:178384:227926,CC(C)Sc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,OWSGEPKQMRFUSR-UHFFFAOYSA-N
-rxn:4:178384:228592,CC(C)c1cncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,QMUPRIHLERIKRS-UHFFFAOYSA-N
-rxn:4:178384:228777,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,UVTYHCRTMAYNAL-UHFFFAOYSA-N
-rxn:4:178384:228934,COc1cc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cn1,GGQYNYHBQKTUPJ-UHFFFAOYSA-N
-rxn:4:178384:228985,Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1,XXAFUGKXFCYVFR-UHFFFAOYSA-N
-rxn:4:178384:229161,COc1ncncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,AUVNNFACSDSVTG-UHFFFAOYSA-N
-rxn:4:178432:222466,COC(=O)CC1COc2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c21,FXHYLPXWKXLOBG-UHFFFAOYSA-N
-rxn:4:178482:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc4c(c(OC)c3)OCC(C(=O)OC)=C4)c(F)c2)CC1,ZMWCLUFDQXRZKL-IYARVYRRSA-N
-rxn:4:178498:224251,CCOC(=O)C1CCc2cc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)ccc2C1=O,CJLMUZMQLSKQNL-UHFFFAOYSA-N
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-rxn:4:178597:228770,COc1c(C)cncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,ASIRAADWXKJKKD-UHFFFAOYSA-N
-rxn:4:178598:225174,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(F)cc2CN2CCOCC2)c1,DEKMBDVLMYYVGD-UHFFFAOYSA-N
-rxn:4:179342:223497,CC(=O)Oc1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1C,CEYSKPLPQAQADH-UHFFFAOYSA-N
-rxn:4:180373:222598,Cc1cc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)cc(C)c1S(=O)(=O)NC1CCCC1,OEQPYWWYPQUGMH-UHFFFAOYSA-N
-rxn:4:180392:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C4CCOC4)cc3C3CC3)cn2)CC1,IASLZVXSNBVXDD-UHFFFAOYSA-N
-rxn:4:180815:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,OTDMTDLOJGYWII-UHFFFAOYSA-N
-rxn:4:180815:224193,CCN1CCN(Cc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2F)CC1,FTQHFSLSANVQFU-UHFFFAOYSA-N
-rxn:4:181864:223497,Cc1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(C(C)C)c1F,VJNBNQYDBSTJQR-UHFFFAOYSA-N
-rxn:4:182297:223531,CC12CC(c3cccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)c3)(C1)C2,AIGTYGQUSQSXGQ-UHFFFAOYSA-N
-rxn:4:182376:225446,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C)cc(OC5CCCC5)c4)cc3C2=O)C[C@@H]1C,VVRTVRDYRVGTSR-BFVWLKTBSA-N
-rxn:4:183270:223567,Cc1cc2c(cc1-c1cc3cc(OC(C)C)ccc3n1C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,QBFVSFPCZLRJQD-UHFFFAOYSA-N
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-rxn:4:183491:223497,CCOC(=O)Cc1cc(C#N)cc(C(F)F)c1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,CHCGQEBCIKEBBL-UHFFFAOYSA-N
-rxn:4:183603:223776,CN(C)CCOc1ccc(OC(F)(F)F)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,QPFCVDMSNFGHDV-UHFFFAOYSA-N
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-rxn:4:187941:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3cc([Si](C)(C)C)n(C(=O)OC(C)(C)C)c23)cc1,LXYBOOKDSIWHEV-UHFFFAOYSA-N
-rxn:4:187945:226119,COC(=O)C1=Cc2cc(-c3cc(C)ccc3OCC3CC3)ccc2N(CC(C)C)CCC1,GGFQUUDKFMAVFB-UHFFFAOYSA-N
-rxn:4:187945:226308,CCc1cc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3CC(C)C)ccc1C(=O)OC,DXISJGCNBXPMAX-UHFFFAOYSA-N
-rxn:4:187961:225128,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(C4(C(=O)OC)CC4)ccc3F)cc1)CC(C)(C)CC2=O,DMBMIPGKGMAILB-UHFFFAOYSA-N
-rxn:4:187969:223888,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cccc21,VBEOUHFFAARJMU-UHFFFAOYSA-N
-rxn:4:188197:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(OC(F)(F)C(F)(F)F)c2)c1,ODHQPZREVCHQNK-UHFFFAOYSA-N
-rxn:4:189213:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2F)cc1,BFJCABHYSDPICH-UHFFFAOYSA-N
-rxn:4:189441:222602,CC(C)Cc1cc(-c2ccc(OC3CCCC3)c(C#N)c2)c(S(=O)(=O)NC(C)(C)C)s1,YSJOATDYHMWNTP-UHFFFAOYSA-N
-rxn:4:189505:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)c3ccccc23)CC1,GXWPRZUIMMRZAP-UHFFFAOYSA-N
-rxn:4:189505:224575,CC1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)c(C#N)c2)CC1,VTYXUYWYSQGPFC-UHFFFAOYSA-N
-rxn:4:189507:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c3ccccc23)CC1,OEXAXVFSVCKVSU-UHFFFAOYSA-N
-rxn:4:189507:224155,CN1CCN(c2cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc(C3CC3)c2)CC1,KUQZOOBOZXFQQC-UHFFFAOYSA-N
-rxn:4:189507:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,LZIIMJREJXPGGM-UHFFFAOYSA-N
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-rxn:4:189507:224773,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)ccc1S(=O)(=O)N1CCCC1,IJXXIIYTMURHAX-UHFFFAOYSA-N
-rxn:4:189917:222588,Cc1cc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)c(OC2CCCC2)c([N+](=O)[O-])c1,IKGKSMARICCSNH-UHFFFAOYSA-N
-rxn:4:190033:225832,C#Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)cc1N1CCCC(C(F)(F)F)C1,QKADNMMCRASPBJ-UHFFFAOYSA-N
-rxn:4:190058:225116,CCCCOc1c(F)c(C)cc(-c2cc(F)ccc2CC(=O)N2CCC(F)(F)CC2)c1F,FJQHPYPHCFFQPO-UHFFFAOYSA-N
-rxn:4:190148:224501,CN1CCCCC1COc1ccc(-c2cc(CCN3CCC(F)(F)CC3)ccc2F)cc1,BEHGZPOSFOPJCN-UHFFFAOYSA-N
-rxn:4:190167:222915,O=C(NC1=NCCS1)c1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(C(F)(F)F)c2)cc1,HIIHGCJSXIIDJE-UHFFFAOYSA-N
-rxn:4:190275:225293,COc1cc(C)c(-c2ccc(C(F)(F)F)c(OC(C)C)c2)cc1S(=O)(=O)N1CCOCC1,PDFRSPMNDDVYHO-UHFFFAOYSA-N
-rxn:4:190351:225498,O=C(Cc1ccc(-c2cc(C3CCCCC3)ccc2F)cc1)N1CCC2(CC1)CC2(F)F,QJQBWZWYHUTIBB-UHFFFAOYSA-N
-rxn:4:190354:226366,Cc1cc(-c2ccnc(N3CCCCC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,KGLYCMMAPWPQFU-UHFFFAOYSA-N
-rxn:4:190381:222745,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3cccc(CNC(=O)OC(C)(C)C)c3)c2)C1,NMXAMKHFMHDMDI-UHFFFAOYSA-N
-rxn:4:190381:222883,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3ccc(C(=O)NC(C)(C)C)cc3Cl)c2)C1,SFVSAQHTZKPINV-UHFFFAOYSA-N
-rxn:4:190388:224886,CC1CCN(Cc2ccc(-c3ccc(C4CCN(S(=O)(=O)C5CC5)CC4)cc3)cc2)CC1,XCNZTFZLABHRLI-UHFFFAOYSA-N
-rxn:4:190390:224286,COc1cc(C(=O)N2CCC3(CC2)CC3)cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)c1,LYRWDLULVXOQBL-UHFFFAOYSA-N
-rxn:4:190391:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1OC,WZQOEDFNPVBVKP-UHFFFAOYSA-N
-rxn:4:190394:224078,CC(C)C(=O)C1CCCN(c2cc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc2F)C1=O,ABGURFXOMHUPDZ-UHFFFAOYSA-N
-rxn:4:190446:224772,Cc1cc(N2CCCC(C(=O)C(C)C)C2=O)ccc1-c1ccc(C(=O)N2CCOCC2)cc1Cl,QYSZTTFDAZVXME-UHFFFAOYSA-N
-rxn:4:190463:226658,COc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)cc1-c1ccc(N2CCCC2)nc1F,GOAYLSSVDMTCCC-UHFFFAOYSA-N
-rxn:4:190480:223527,CC1CCCN(C(=O)c2cccc(-c3ccccc3-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,OLDGAKDRZBFHDD-UHFFFAOYSA-N
-rxn:4:190494:222838,CCC1CCCCN1C(=O)c1cc(-c2ccc(CNC(=O)C(C)(C)C)cc2)c(C)c(C)c1C,YAYCQAWXFDPWFL-UHFFFAOYSA-N
-rxn:4:190849:224059,CCCCN1Cc2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)ccc2OCC1=O,OOPDFUMXOVULTN-UHFFFAOYSA-N
-rxn:4:190928:222759,COC(=O)c1cc2c(c(-c3cc(C)cc(NC(=O)OC(C)(C)C)c3)c1)N(C(C)C)CCC2=O,OINAOYXSLBHPEK-UHFFFAOYSA-N
-rxn:4:190954:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1,MZAKDRRILWNBBL-UHFFFAOYSA-N
-rxn:4:191036:224420,Cc1cc2c(cc1-c1ccc3c(c1)CC(C)N(C(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,JVIKBDLSBFOJJG-UHFFFAOYSA-N
-rxn:4:191039:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)ccn1,WICJDKMSMOACDC-UHFFFAOYSA-N
-rxn:4:191058:223060,COC(=O)C1CCN(C2CCc3cc(-c4cc(Cl)nc(C5CCNCC5)c4)ccc32)CC1,ZFRIAYRJBDSHMB-UHFFFAOYSA-N
-rxn:4:191058:224063,COC(=O)C1CCN(C2CCc3cc(-c4cc(C5CC5)cc(N5CCCC(C)C5)c4)ccc32)CC1,PZKJUBMYFSPVPR-UHFFFAOYSA-N
-rxn:4:191058:225390,COC(=O)C1CCN(C2CCc3cc(-c4cc(CC(C)C)cc(C5CC5)c4)ccc32)CC1,QZUCCAHQFPPXAF-UHFFFAOYSA-N
-rxn:4:191058:225674,COC(=O)C1CCN(C2CCc3cc(-c4cnc(C5CCCCC5)cc4F)ccc32)CC1,USNSZNKPEYKTQW-UHFFFAOYSA-N
-rxn:4:191088:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C,PTJRZARFOIGCET-UHFFFAOYSA-N
-rxn:4:191089:225569,COC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)ccc1C1CC1,WLPPLEASRRTYSR-UHFFFAOYSA-N
-rxn:4:191092:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c2ccccc12,XJNBLVLDZUNILC-UHFFFAOYSA-N
-rxn:4:191097:224967,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(C)(C)C)c1,NXMZCFWQUNPGPQ-UHFFFAOYSA-N
-rxn:4:191103:227055,COc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1C1CC1,OVBKTVCNORMMOB-UHFFFAOYSA-N
-rxn:4:191105:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,AWAZHAQOOAJYCD-UHFFFAOYSA-N
-rxn:4:191105:227058,COc1ccc(C2CC2)cc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,QSLPPSXOMWRCJJ-UHFFFAOYSA-N
-rxn:4:191108:225591,COc1ccc(-c2cc(CN3CCCC3)ccc2F)c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1,YUUQAEFNYUMOCA-UHFFFAOYSA-N
-rxn:4:191127:225784,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc(CN4CCOCC4)nc3)cc1O2,IKVJYJZTQRVFIY-UHFFFAOYSA-N
-rxn:4:191129:226062,CC(C)c1cc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc(C(C)C)c1,KXQOYRRKTMIPGX-UHFFFAOYSA-N
-rxn:4:191130:226062,CC(C)c1cc(-c2ccc3c(c2)OC2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)C)c1,UJZFMDHLVAUGTC-UHFFFAOYSA-N
-rxn:4:191195:223013,COC(=O)c1ccc2cc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)[nH]c2c1,FSOITWHXFJEDBR-UHFFFAOYSA-N
-rxn:4:191195:223716,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc3ccccc3c1OCc1ccccc1)c1c2CCC1,SSJCEWKYEDOLRX-UHFFFAOYSA-N
-rxn:4:191705:223522,COc1cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc([N+](=O)[O-])c1,OLGJKOHLSUYGHF-UHFFFAOYSA-N
-rxn:4:192740:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CC=CCC3)o2)CC1,OCYZGDFNEXXHGY-UHFFFAOYSA-N
-rxn:4:193150:223577,COc1ncc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1C(C)C,MQMHPXYXJBECEN-UHFFFAOYSA-N
-rxn:4:193250:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(C(=O)N4CCOCC4)c3F)ccn2)CC1,DKERLFFWUFSFRE-UHFFFAOYSA-N
-rxn:4:193291:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCS4(=O)=O)c(C(F)(F)F)c3)c3ccccc23)CC1,ZZKHVRLASZPJIT-UHFFFAOYSA-N
-rxn:4:193292:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)c3ccccc23)CC1,SSGBWAUCFLDANL-UHFFFAOYSA-N
-rxn:4:193440:222465,Cc1cc(OC2CCOCC2)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,FFLAEKIMCZCNMK-UHFFFAOYSA-N
-rxn:4:193497:224394,Cc1ccc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,QGSMDGXFZSIJMV-UHFFFAOYSA-N
-rxn:4:193503:224316,Cc1c(-c2cc(F)cc(C(=O)N3CCN(C)CC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,PQMBYILZGVWMJN-UHFFFAOYSA-N
-rxn:4:193518:225059,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2Cl)cc1,BDUJOYIINCGRQV-UHFFFAOYSA-N
-rxn:4:193518:225061,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2F)cc1,RXVGMPTZTSQHQW-UHFFFAOYSA-N
-rxn:4:193518:225212,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(F)cc(N3CCN(C)CC3)c2)cc1,RVBMWYOPSXCYPI-UHFFFAOYSA-N
-rxn:4:193618:224265,Cc1cc(C(=O)N2CCOCC2)c(F)c(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)c1,VZMLSDIUESSRRN-UHFFFAOYSA-N
-rxn:4:193642:224737,CC(C)COc1ccc(-c2cc(C(F)(F)F)ccc2N2CCCC(F)(F)C2)c(C(F)(F)F)c1,XPEYEPZAYLXXMV-UHFFFAOYSA-N
-rxn:4:193864:223508,O=C1CCCCN1c1cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc(C2CC2)c1,IECUPSQYHZSBDL-UHFFFAOYSA-N
-rxn:4:193864:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C4CC4)cc(N4CCCCC4=O)c3)c2)CC1,QKIIOOQIWPUUEY-UHFFFAOYSA-N
-rxn:4:193885:225126,O=C(c1cccc(-c2cc(F)ccc2OCC2CCCO2)c1)N1CCC2(CC1)CC2(F)F,AOEIQOJNTYFYQU-UHFFFAOYSA-N
-rxn:4:193888:225048,Cc1cc(-c2ccc(N3CCN(C)CC3)cc2C)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,WZVMZNLCQVJOQW-UHFFFAOYSA-N
-rxn:4:193930:224485,Cc1ccc(C(C)N2CCC(=O)CC2)cc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,ATLKQXSHRWXRHF-UHFFFAOYSA-N
-rxn:4:193962:224782,Cc1cc(S(=O)(=O)N2CCCCC2)c(C)cc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,CNIXUIUUVHZOLY-UHFFFAOYSA-N
-rxn:4:193963:224782,Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,YGEXUQSLLWKALI-UHFFFAOYSA-N
-rxn:4:193966:222585,Cc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccccc1C(=O)NCCN1CCOCC1,LZKUWBQRHFLSAG-UHFFFAOYSA-N
-rxn:4:193984:224667,Cc1cccc(C(=O)N2CC(C)CC(C)C2)c1-c1ccc(Cl)c(CN2CCN(C)CC2)c1,RMAQFGZRKNRHEK-UHFFFAOYSA-N
-rxn:4:194424:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CN(S(=O)(=O)C3CC3)C4)c(Cl)c2)CC1,LUKDOBHWJZXLSX-UHFFFAOYSA-N
-rxn:4:194461:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc4c3CCC(C)(C(=O)OC)C4=O)cc2)CC1,ZJYUMEGFJYMTCH-XSUAGSRNSA-N
-rxn:4:194539:223896,COc1cccc(-c2ccc3c(c2)CN(S(=O)(=O)C(C)C)C3)c1C(=O)N(C(C)C)C(C)C,LTMHTCOWEFLXSF-UHFFFAOYSA-N
-rxn:4:194713:224253,CC1CCCCN1C(=O)c1cc(-c2ccc3c(c2)C(N2CCC(C(F)(F)F)CC2)CC3)ccc1F,OABQTDHZJWSVCE-UHFFFAOYSA-N
-rxn:4:194748:224656,COc1ccc(-c2ccc([C@@]34C[C@@H]3CN(C3CCOCC3)C4)cc2)c(F)c1OC1CCCC1,HJDMTYNMRCXKGB-PIKZIKFNSA-N
-rxn:4:194764:224884,CC1CCN(Cc2cccc(-c3ccc(C(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)o3)c2)CC1,MVJKEBAPCGZCOQ-UHFFFAOYSA-N
-rxn:4:194766:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccccc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,ISTLHUGYXUEXKJ-UHFFFAOYSA-N
-rxn:4:194768:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc2c(c1)CCCC2N1CCC(OC)CC1,QGOALEDXAWAUFO-UHFFFAOYSA-N
-rxn:4:194802:225324,Cc1ccc(N2C(=O)C3C(c4ccc(-c5cn(CCC(C)C)nc5C(F)(F)F)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,NADKSOPYSWATTQ-UHFFFAOYSA-N
-rxn:4:194852:224078,CN1C(=O)C(S(=O)(=O)c2ccccc2)C2CC1(C)Oc1ccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)cc12,PJFAMQULFMTUHT-UHFFFAOYSA-N
-rxn:4:197727:223712,COc1ccc(-c2ccc3c(c2)OC(=O)N(C2CC2)C3)cc1C12CC3CC(CC(C3)C1)C2,PLOFEGRXPHITCV-UHFFFAOYSA-N
-rxn:4:197862:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc4c(c3)CN(C(C)(C)C)C4=O)c2F)C1,VQFLQJJZBWFAQL-UHFFFAOYSA-N
-rxn:4:197948:222723,O=S(=O)(Nc1cccc(-c2ccc3c(c2)CCC3N2CCC(F)(F)CC2)c1)N1CCOCC1,RKZUJKOFNVOADU-UHFFFAOYSA-N
-rxn:4:197969:223918,CC1CCCN(C2CCc3ccc(-c4cc(C(=O)N(C)C5CCCCC5)ccc4F)cc32)C1,LLRVWVLRJAWBKK-UHFFFAOYSA-N
-rxn:4:197974:224061,CCCC1CCC(c2ccc(-c3cccc4c3CCCC4N3CCCCC3)c(F)c2)CC1,JLPDNEHMTADESD-UHFFFAOYSA-N
-rxn:4:197986:224702,Cc1c(-c2cccc3c2CCCC3N2CCCCC2C)cc(F)c(OC2CCCC2)c1F,RVKZQMJOUXTLGZ-UHFFFAOYSA-N
-rxn:4:197988:224596,COc1cc(N2CCCCC2C)ccc1-c1cccc2c1CCCC2N1CCC(C)CC1,IGUKFAFGWDFNLI-UHFFFAOYSA-N
-rxn:4:197991:224371,COC(=O)C1CCN(c2ncc(-c3ccc4c(c3)CCCC4N3CCC(C)CC3)cn2)CC1,PFGHBWOAUZJJKH-UHFFFAOYSA-N
-rxn:4:199444:223640,CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1-c1cc(F)cc2c1C(=O)C1C(C)(C)C1(OCC)C2=O,AONGDESPOOTLAK-UHFFFAOYSA-N
-rxn:4:199486:223943,CCOC(=O)Cn1nc(C(F)F)c(-c2c(Cl)c(C)cc3c2cnn3C2CCCCO2)c1C1CC1,ORBXSROZMLSVNJ-UHFFFAOYSA-N
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-rxn:4:202285:225625,COC1CCN(Cc2ccc(-c3cc(OC4CCCC4)ccc3F)cc2N2CCCC2)CC1,PFIBWXWTFXIQRU-UHFFFAOYSA-N
-rxn:4:202303:222433,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C,PDBQDNYNLHLDEI-UHFFFAOYSA-N
-rxn:4:202306:225568,CCN1CCN(Cc2cc(-c3ccc(C(C)(C)C(=O)OC)cc3)cc(C(C)(C)C)c2)CC1,YZQVRRGIPTXFBX-UHFFFAOYSA-N
-rxn:4:202313:224762,O=C(c1ccc(-c2ccccc2CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1F)N1CCOCC1,SDFYSAOEHKGBFB-UHFFFAOYSA-N
-rxn:4:202501:224265,C#CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)ccc21,SRNAEOBMLLIRIM-UHFFFAOYSA-N
-rxn:4:202554:224155,COC(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)ccc21,UUIDLDLPORLAEP-UHFFFAOYSA-N
-rxn:4:202597:228297,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(C(=O)OCC)s3)ccc21,JJYCLELBYHBTRT-UHFFFAOYSA-N
-rxn:4:202653:224605,CCN(CC)C(=O)c1ccc(-c2cccc3cc(C4CN(C(=O)OC(C)(C)C)CCO4)cn23)c(OC)c1,OMPOKWXGRBAHAH-UHFFFAOYSA-N
-rxn:4:202656:225898,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4cnn(CCN5CCOCC5)c4)cc23)CC1,PQQJAQVDQMWAEF-UHFFFAOYSA-N
-rxn:4:202670:222624,CC(C)Cc1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccccc34)cc2)cc(C2CCNCC2)n1,YIBPTVRSGHIJID-UHFFFAOYSA-N
-rxn:4:202674:223929,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cnc21,GVMZVKQUFQMQKS-UHFFFAOYSA-N
-rxn:4:202675:223939,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c2cccnc21,SYFAVSILGXTAHZ-UHFFFAOYSA-N
-rxn:4:202685:224762,O=C(CCn1ccc2cc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21)N1CCC2(CC1)OCCO2,NIHVDAUFRRBOSB-UHFFFAOYSA-N
-rxn:4:202714:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)cc1,ALHMFJXFAMZJCK-OSMGYRLQSA-N
-rxn:4:202778:222866,CCn1c2c(c3cc(-c4cccc(NC(=O)OC(C)(C)C)c4)ccc31)CN(C(=O)OC(C)(C)C)CC2,CHWAPHHSVWYIPS-UHFFFAOYSA-N
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-rxn:4:203712:222845,CC(c1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1)N1CCNCC1,COITVBMGEWARJY-UHFFFAOYSA-N
-rxn:4:203712:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,XTIHKFVNAXNVMS-UHFFFAOYSA-N
-rxn:4:203726:224485,COC(=O)c1cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cnc1N1CCCCC1,ZVBIOQQBIURLOT-UHFFFAOYSA-N
-rxn:4:203780:222657,CC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)c(C(=O)NC4CCCCC4)c3)ccc2F)CC1,YNKBVRQYCNLPDS-UHFFFAOYSA-N
-rxn:4:203783:225565,COc1cc(N2CCC(F)(F)CC2)c(-c2cccc(OCC3CCCO3)c2)cc1[N+](=O)[O-],BJJRYQAPGDCCBS-UHFFFAOYSA-N
-rxn:4:204011:224330,CN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)cc2)CC1,QJDKRHBWCMXIIS-UHFFFAOYSA-N
-rxn:4:204026:222845,CC(c1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCN(C)CC2)cc1)N1CCNCC1,URTWDMWEJYABJU-UHFFFAOYSA-N
-rxn:4:204037:222674,CN(C)C1CCN(c2ccc(C(F)(F)F)c(-c3cccc(C(=O)NC4CCCCC4)c3F)c2)CC1,OVOYPVJYLJPLTF-UHFFFAOYSA-N
-rxn:4:204056:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCC3)c2)c1,RCOLAAJRVONORY-UHFFFAOYSA-N
-rxn:4:204165:224267,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3cccc(N4CCC5(CC4)OCCO5)c3)cc2)=NC12CCCCC2,SYIKHBRUGRCOKV-UHFFFAOYSA-N
-rxn:4:204403:222465,COCn1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1C12CCCC1O2,JDOMQSAZKZJEAT-UHFFFAOYSA-N
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-rxn:4:204417:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)C3)cc1,LBNVAIVUEIOXDI-CQSZACIVSA-N
-rxn:4:204507:223712,COc1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1C12CC3CC(CC(C3)C1)C2,AYHRPIHBXATLLK-UHFFFAOYSA-N
-rxn:4:204797:223121,O=C(NC1CC1)c1ccc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)cc1,VVLOXVNKGDIHLX-UHFFFAOYSA-N
-rxn:4:204797:224398,Cc1cc(F)c(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)cc1S(=O)(=O)N1CCCC1,ZFGYFLOZJGNCOX-UHFFFAOYSA-N
-rxn:4:204829:225717,COCCOCc1ccc(F)cc1-c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1C,WXEILLFRUAPLMW-UHFFFAOYSA-N
-rxn:4:204894:222758,Cc1cc(-c2ccc3[nH]c4c(c3c2)CN(C(=O)OC(C)(C)C)CC4)ccc1NC(=O)OC(C)(C)C,CJDWRUCJPLDWGL-UHFFFAOYSA-N
-rxn:4:204896:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c4c([nH]c3c2)CCN(C(=O)OC(C)(C)C)C4)cc1,DUFCPMKDZYKEGK-UHFFFAOYSA-N
-rxn:4:204897:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c4c([nH]c3c2)CN(C(=O)OC(C)(C)C)CC4)c1,JUGGBRREVMMPAS-UHFFFAOYSA-N
-rxn:4:204913:222539,Cn1c2c(c3cc(-c4ccc5c(c4)CC(NC(=O)OC(C)(C)C)C5)ccc31)CN(C(=O)OC(C)(C)C)CC2,SNDARMWOBIPAPA-UHFFFAOYSA-N
-rxn:4:204913:222906,Cn1c2c(c3cc(-c4cnccc4NC(=O)OC(C)(C)C)ccc31)CN(C(=O)OC(C)(C)C)CC2,YOIJOEUYXDBEBC-UHFFFAOYSA-N
-rxn:4:204944:222636,CC(C)c1ccc(C2Oc3ccc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)cc3C3CC(c4ccco4)=NN32)cc1,GQVLMTUVOJHISD-XNGJEXTASA-N
-rxn:4:205106:222426,COc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c(C#N)cn1,YKKCIMYMHPBQRC-UHFFFAOYSA-N
-rxn:4:205925:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C#N)c(N4CCSC4)c3)cn2)CC1,WZGHPOVVQQSOIO-UHFFFAOYSA-N
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-rxn:4:206641:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C#N)c3N3CCCC(F)(F)C3)cc2)CC1,CYHOXVCGNIEEJK-UHFFFAOYSA-N
-rxn:4:206891:223712,COc1ccc(-c2cccc(CN3CCCCCC3)n2)cc1C12CC3CC(CC(C3)C1)C2,DBMITICWCXYXPW-UHFFFAOYSA-N
-rxn:4:206891:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(CN4CCCCCC4)n3)cc2C1,RBWDQNCMUGCSAI-UHFFFAOYSA-N
-rxn:4:206948:224155,CC1CCN(S(=O)(=O)c2cccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)n2)CC1,HIGQRGLOWNMEOX-UHFFFAOYSA-N
-rxn:4:206948:224317,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)n2)CC1,HEHXLXYZOYWBTQ-UHFFFAOYSA-N
-rxn:4:206957:224155,CC1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)c2)CC1,JFHTZUILYKSXLA-UHFFFAOYSA-N
-rxn:4:206957:224317,CC1CCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)c2)CC1,PWGZGXJPBIYNFC-UHFFFAOYSA-N
-rxn:4:206958:224155,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cn2)CC1,OSYYGPCTYASHDW-UHFFFAOYSA-N
-rxn:4:206963:224405,CS(=O)(=O)N1CCN(c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CC1,APFBEWBNBSHXCZ-UHFFFAOYSA-N
-rxn:4:206976:224575,CC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3F)c(C#N)c2)CC1,SLPYUPIACRJJNO-UHFFFAOYSA-N
-rxn:4:206985:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1,NIXUELLWOJWQBL-UHFFFAOYSA-N
-rxn:4:206985:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1,LHFBERVSORFKDN-UHFFFAOYSA-N
-rxn:4:207049:223712,COc1ccc(-c2cc(C)cc(CN3CCN(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,IHXQIGXEWDCPIJ-UHFFFAOYSA-N
-rxn:4:207701:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CN(c3cccc(C#N)c3)C(=O)CO4)cn2)CC1,UKJLOQSDDMGKIO-UHFFFAOYSA-N
-rxn:4:207731:224153,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cc(N2CCCC2)cc(N2CCCC2)c1,ZQVNZGHDYXYZAR-UHFFFAOYSA-N
-rxn:4:207732:224153,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(-c2cc(N3CCCC3)cc(N3CCCC3)c2)c1,GXAKMGDEQYFAST-UHFFFAOYSA-N
-rxn:4:207763:222466,CCN1CC=C(c2c[nH]c3cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc23)CC1,UWQCMVKCOWZQEX-UHFFFAOYSA-N
-rxn:4:207764:223712,CCN1CC=C(c2c[nH]c3ccc(-c4ccc(OC)c(C56CC7CC(CC(C7)C5)C6)c4)cc23)CC1,FGABTGJAKQDVHT-UHFFFAOYSA-N
-rxn:4:207782:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CC(C(=O)N2CCN(C)CC2)O3)c1,KIWXUIOSNPBQMV-UHFFFAOYSA-N
-rxn:4:207965:227089,COc1ccc(C2=NN3C(C2)c2cc(-c4ccncc4C4CCCC4)ccc2OC32CCC(C)CC2)cc1,NOHUNHBLPHNMDD-UHFFFAOYSA-N
-rxn:4:209037:223598,Fc1cc(-c2ncccc2N2CC(F)(F)C2)ccc1OCCN1CCC2(CC1)OCCO2,ZPYPYVXRLWHDGC-UHFFFAOYSA-N
-rxn:4:209870:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)cc3Cl)c(F)cc2C)CC1,LWJBGOBSDLMZCR-UHFFFAOYSA-N
-rxn:4:209880:223695,Cc1nc(N2CCC(F)(F)CC2)ccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,HKIMJYDHRUWHQK-UHFFFAOYSA-N
-rxn:4:209880:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(F)(F)CC4)nc3C)cc2)CC1,WOOKJJWQSVWUCN-UHFFFAOYSA-N
-rxn:4:209891:223712,COc1ccc(-c2cc(C)cc(N3CCN(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,IWAJXJDURRLDBW-UHFFFAOYSA-N
-rxn:4:210681:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C3=CSC4=NCCN34)cc2)CC1,BBIYELKLTPXHBR-UHFFFAOYSA-N
-rxn:4:211035:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CC5CN(C)CC5C4)cc3)c2)CC1,UELPCASWLSJAHT-UHFFFAOYSA-N
-rxn:4:211060:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)CCCC3N2CCN(C)CC2)CC1,LMVCXTIWCCKVFJ-UHFFFAOYSA-N
-rxn:4:211068:223508,N#CC1=C2CCCN2c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2S1(=O)=O,KWTPJGKJBRWADV-UHFFFAOYSA-N
-rxn:4:211073:223508,N#CC1=C2CCCCN2c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2S1(=O)=O,PXDMUJWGMIOCAX-UHFFFAOYSA-N
-rxn:4:211089:223508,N#CC1=C2CCCCCN2c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2S1(=O)=O,OJSURWSRWZCDSD-UHFFFAOYSA-N
-rxn:4:211089:225639,CC1CCN(c2ncccc2-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)CC1,OUJULLUMAJAAHI-UHFFFAOYSA-N
-rxn:4:212552:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)CSc3ccncc3)C2)cc1,YUSYXOFGWIMLIB-UHFFFAOYSA-N
-rxn:4:212583:222930,O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(-c3cnc(Cl)c(N4CCCC(O)C4)c3)cc2)c1,XHSMAAZRUBLQFW-UHFFFAOYSA-N
-rxn:4:212606:225330,COC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)C)C3)nc2)cc(C(=O)OC)n1,BHBQRTIAHFHRKO-UHFFFAOYSA-N
-rxn:4:212630:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCCC(COc5ncccc5C(F)(F)F)C4)c3)c2)C1,GGPWPWQCEDQGHG-UHFFFAOYSA-N
-rxn:4:212631:223971,CC1CCN(c2cc(-c3cncc(C(=O)N4CCC(COc5ncccc5C(F)(F)F)CC4)c3)cc(C(F)(F)F)c2)CC1,CSFFPRDKZZSKGW-UHFFFAOYSA-N
-rxn:4:212649:224772,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cn2)C1,LCHFBBGSNVTBMT-UHFFFAOYSA-N
-rxn:4:212751:227191,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cccc4ccc(Cl)nc34)c2)CCN1C(=O)OC(C)(C)C,LDVCWGYYAPPSNZ-UHFFFAOYSA-N
-rxn:4:212756:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(c3)sc(=NC(=O)c3ccc([N+](=O)[O-])s3)n4CCOC)c2)CC1,MCYNUAGUPNTYIT-UHFFFAOYSA-N
-rxn:4:212764:223568,COC(=O)CSc1nnc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)n1-c1ccc(C2CC2)c2ccccc12,KGKPNTSHVHBURB-UHFFFAOYSA-N
-rxn:4:212879:222538,COCCN1CC(Cn2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)C1,LBIWZVQVONFOIM-UHFFFAOYSA-N
-rxn:4:212892:222634,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)cn1)C1CC1,KBHUQPRNEGGHJC-UHFFFAOYSA-N
-rxn:4:212917:222775,COC(=O)CN1CCC(Cn2cc(-c3ccc(CN4CCC(O)CC4)c(F)c3)cn2)CC1,VEMSVPUREOEBAC-UHFFFAOYSA-N
-rxn:4:212923:225894,CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(-c3cccc(COCC(F)(F)F)c3)cn2)C1,LLNHZOLARFUKAU-UHFFFAOYSA-N
-rxn:4:212938:223998,CCC(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)cn2)C1,LJUQAIWDNQJUTB-UHFFFAOYSA-N
-rxn:4:212944:224164,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc3c(cnn3C3CCCCO3)cc2C)CC1,UPXCZYUJRFHDTP-UHFFFAOYSA-N
-rxn:4:212944:225832,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2c(C)nn(C3CCCCO3)c2C)CC1,LEPCPGAUCKPEFF-UHFFFAOYSA-N
-rxn:4:212992:226853,COc1ccc(Cl)c(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)c1[N+](=O)[O-],LJNRYNMCKQZFOU-UHFFFAOYSA-N
-rxn:4:213006:223599,COc1ccc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,KOFKRZHAYHFLCU-UHFFFAOYSA-N
-rxn:4:213023:224573,CC1CCCCN1c1ccc(-c2cccnc2OC2CCN(C(=O)c3cccc(C#N)c3)CC2)c(C#N)c1,GGCKKUBZQIMWRT-UHFFFAOYSA-N
-rxn:4:213054:222646,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4c(C)cc(NC(=O)OC(C)(C)C)cc4C)c3)C2)nn1,NNNBPMGKTQRNQS-UHFFFAOYSA-N
-rxn:4:213075:224393,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)n2)CC1,QKABYWMCWPEOOS-UHFFFAOYSA-N
-rxn:4:213075:225977,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(Cl)cnc3N3CCOCC3)n2)CC1,WFTIYLWNKRSJIP-UHFFFAOYSA-N
-rxn:4:213131:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(Cl)c2)CC1,WYJREBITIFIISP-UHFFFAOYSA-N
-rxn:4:213133:224424,CCCC1CCC(c2ccc(-c3cnc(OCC4CCN(CC5CCCO5)CC4)nc3)cc2)CC1,SFKUFXUNFDPMRG-UHFFFAOYSA-N
-rxn:4:213136:226547,COC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)ccc1OC,WUZWUIRILSQEPW-UHFFFAOYSA-N
-rxn:4:213151:225567,Cc1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C(=O)OC(C)C,PHJFFNAHWWQTJP-UHFFFAOYSA-N
-rxn:4:213159:222816,COc1cc(N2CCN(C(=O)Cc3ccccc3-c3ccc(OC)c(S(=O)(=O)NC(C)C)c3)CC2=O)ccn1,HQLVRDROJCWCQK-UHFFFAOYSA-N
-rxn:4:213163:227753,O=C(C1CCCC1)N1CCC(COc2ncc(-c3cccc(C(F)(F)F)c3Cl)cn2)CC1,YGCGDVLINFCSDZ-UHFFFAOYSA-N
-rxn:4:213171:224962,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2ccccc2COC2CCOCC2)CC1,NBAYPILHKPYUTR-UHFFFAOYSA-N
-rxn:4:213175:224751,Cc1cc(OCC2CCN(C(=O)c3cncc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)c3)CC2)ccn1,IVXXZNDDBUGGRD-UHFFFAOYSA-N
-rxn:4:213258:222569,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,UABOYKMNESUZPK-UHFFFAOYSA-N
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-rxn:4:213259:223510,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)nc2)CC1(C)C,SQMDWMQBWFOEID-UHFFFAOYSA-N
-rxn:4:213355:223093,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3nn2C)C1,BGJIWSWAAYOPBH-UHFFFAOYSA-N
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-rxn:4:213449:222637,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4ccc(C(C)NC(=O)OC(C)(C)C)cc4)cc3c2-c2ccccc2)=NN1C(C)=O,WDLAEAABJNDETG-UHFFFAOYSA-N
-rxn:4:213480:224022,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZDZDRFLMVKYSNW-BJZJLHLCSA-N
-rxn:4:213653:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)cn2)C1,HYFXOJJCMQCHIW-UHFFFAOYSA-N
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-rxn:4:213778:224022,CCN1CCN(c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(C(=O)OC)n2)CC1,IGWBWQZGTCJKQR-UHFFFAOYSA-N
-rxn:4:213781:223815,Cc1csc(CN2CCN(C(=O)c3ccc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)o3)CC2)n1,DVGXFVBOBQFGTQ-UHFFFAOYSA-N
-rxn:4:213796:224949,COc1ccc(-c2cnn(CC3CN(CC4CCOCC4)C3)c2)cc1CN1CCCC1,QHFCIBYBEFQCSM-UHFFFAOYSA-N
-rxn:4:213873:223076,CC(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cccc(S(=O)(=O)NC3CC3)c2)CC1,YEKXBKSXSFTGIJ-UHFFFAOYSA-N
-rxn:4:213875:225877,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(Cl)cc3N3CCOCC3)n2)CC1,HPQKEOHDHSXIAW-UHFFFAOYSA-N
-rxn:4:213898:223787,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)cc2F)CC1,QDOWLVASSPWWKW-UHFFFAOYSA-N
-rxn:4:213913:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCN(Cc5ccccc5)CC4)cc3C#N)cc2)CC1,NCFUPKTURWJGOW-UHFFFAOYSA-N
-rxn:4:213924:223753,Cc1ccc(-c2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)CC2)cc1OCCCN1CCN(C)CC1,XPOJRCRTUDLMKP-UHFFFAOYSA-N
-rxn:4:213932:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)c2Cl)CC1,FVUGHLXONDFMEL-UHFFFAOYSA-N
-rxn:4:213937:223481,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)CC2=O)ccn1,PBKTTYURJMTDBQ-UHFFFAOYSA-N
-rxn:4:213943:222945,CC(C)NS(=O)(=O)c1ccc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1F,JKAJXSRXHNKTFK-UHFFFAOYSA-N
-rxn:4:213948:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)CC1,ALMDSTNBPXWZOP-UHFFFAOYSA-N
-rxn:4:213969:225514,O=C(c1ccc(-c2cccc3c2OCC2(CC2)CO3)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,RSTABYCGDXZELA-UHFFFAOYSA-N
-rxn:4:213977:223996,CC1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2ccc(N3CCN(C)CC3)cc2C(F)(F)F)n1,LARUAIUDBPWQMS-UHFFFAOYSA-N
-rxn:4:213991:226490,COCCOc1ccc(F)c(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)c1,XKWYNMAMHYXNNT-UHFFFAOYSA-N
-rxn:4:213991:226675,Clc1nc(C2CCCC2)ncc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,XSSCIFKLRAQVKH-UHFFFAOYSA-N
-rxn:4:213992:222890,COc1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)cc(C2CCCNC2)n1,LYOZKNGREJQWGB-UHFFFAOYSA-N
-rxn:4:213996:223074,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cccc(NS(=O)(=O)C2CC2)c1,HJFWBEUPVXRPLN-UHFFFAOYSA-N
-rxn:4:214026:228089,CCCOc1ncccc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,XIBLXIXMXQSJRV-UHFFFAOYSA-N
-rxn:4:214033:227390,CC(C)[C@H]1COC(c2cc(-c3ccnn3C3CCCCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KCPXBHZTIWWNPW-DHIUTWEWSA-N
-rxn:4:214082:223159,CCNC(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCOCC3)c2)cc1Cl,DOEZRKGGUNAMBN-UHFFFAOYSA-N
-rxn:4:214153:225638,CC1CCN(c2ccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)cn2)CC1,PEQGJUZBPZOSNE-GOSISDBHSA-N
-rxn:4:214230:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1,PGHBRXNSVIQRRN-UHFFFAOYSA-N
-rxn:4:214305:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4cc5ccccc5n4C)CC3)cc2)c(Cl)c1,JJFLLTSVTMNGDV-UHFFFAOYSA-N
-rxn:4:214323:223676,O=C(Cn1ccc2ccc(-c3cc(OCc4ccccc4)cc(C(F)(F)F)c3F)cc21)N1CCN(C2CCS(=O)(=O)C2)CC1,PVPMBASXIHEXNL-UHFFFAOYSA-N
-rxn:4:214655:222886,CC(C(=O)N1CCC(F)(F)CC1)n1cc(-c2ccc(N3CCNCC3)cc2C#N)cn1,DCTJMQJLSBQEKX-UHFFFAOYSA-N
-rxn:4:214655:223755,CC1CCN(CCCOc2ccc(-c3cnn(C(C)C(=O)N4CCC(F)(F)CC4)c3)cc2F)CC1,NHZNFJKVGPKFGF-UHFFFAOYSA-N
-rxn:4:214709:224155,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cn2)CC1,IEXYTCGZLMUSQW-UHFFFAOYSA-N
-rxn:4:214709:224667,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cn2)CC1,OBBZXPXEOYANRK-UHFFFAOYSA-N
-rxn:4:214709:224782,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cn2)CC1,LTWYNZYIKSYAJD-UHFFFAOYSA-N
-rxn:4:214711:224782,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cn2)CC1,QCBFRADSALISJV-UHFFFAOYSA-N
-rxn:4:214718:224575,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(N4CCC(C)CC4)cc3C#N)c2)CC1,IGKFYBQDNAPCRT-UHFFFAOYSA-N
-rxn:4:214718:225048,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(N4CCN(C)CC4)cc3C)c2)CC1,FMGANUBGKDBHAO-UHFFFAOYSA-N
-rxn:4:214718:225213,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(N4CCN(C)CC4)cc3Cl)c2)CC1,MVNPKKKEFOQJEO-UHFFFAOYSA-N
-rxn:4:214718:225228,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(N4CCN(C)CC4)cc3F)c2)CC1,UCKYOZRQUJACSG-UHFFFAOYSA-N
-rxn:4:214749:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(OC2CCN(C3CCC3)CC2)nc1,ZVPKNMZDAHECPZ-UHFFFAOYSA-N
-rxn:4:214803:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2Cl)CC1,YDLCNEKXNANIAG-UHFFFAOYSA-N
-rxn:4:214821:225355,COC(=O)c1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c(C(F)(F)F)c1,ZRVHXUHMROFYFE-UHFFFAOYSA-N
-rxn:4:214828:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)CC1,AJWLAPCSWRXPTJ-UHFFFAOYSA-N
-rxn:4:214836:222584,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CCO1)N1CCSCC1,VMRHLMYJXXPMMY-UHFFFAOYSA-N
-rxn:4:214839:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,ZPJHOLBFFMEGGQ-UHFFFAOYSA-N
-rxn:4:214854:223004,Fc1cc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)ccc1C1CCNCC1,LHYJYTPHOQZPOX-UHFFFAOYSA-N
-rxn:4:214855:225883,Clc1cc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cnc1C1CCOCC1,YZRXPGOSYOEKQP-UHFFFAOYSA-N
-rxn:4:214873:226110,Cc1ccc(OCC(C)C)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,VCYBQDFYOFMFEV-UHFFFAOYSA-N
-rxn:4:214874:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,IRSDSBNXYYTHAZ-UHFFFAOYSA-N
-rxn:4:214900:222916,CN1CCN(Cc2ccc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2N2CCCCC2)CC1,IWLHJUMFNUIFOP-UHFFFAOYSA-N
-rxn:4:215099:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cnn2c1CN(C(=O)OC(C)(C)C)[C@H](C)C2,KGHIJUYRVGKLLD-HXUWFJFHSA-N
-rxn:4:215295:223126,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3cccc(NC(=O)C4CC4)c3)cnc12,APCQVFQLGMEMHJ-UHFFFAOYSA-N
-rxn:4:215309:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)cc1,KGYQURLZMFJHGG-QFIPXVFZSA-N
-rxn:4:215374:223753,Cc1ccc(-c2cc(F)cnc2C2(C(F)(F)F)N=N2)cc1OCCCN1CCN(C)CC1,DSWCNZWEFKMKFC-UHFFFAOYSA-N
-rxn:4:215741:223597,Cn1ncc(C(=O)N2CCC(F)(F)C2)c1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,RTWCYJRNZNIPFZ-UHFFFAOYSA-N
-rxn:4:215803:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cnc(N4CCC(F)(F)CC4)c([N+](=O)[O-])c3)cc2)CC1,LGZXFDRSNIBYCV-UHFFFAOYSA-N
-rxn:4:215865:223572,CC1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)c3ccccc23)CC1,UDMZLUARLYMKJH-UHFFFAOYSA-N
-rxn:4:215865:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)c2)CC1,IDTRPPMUMOJGHN-UHFFFAOYSA-N
-rxn:4:215865:224321,CC1CCN(S(=O)(=O)c2cccc(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)c2)CC1,PDBXSEVFAPBMIR-UHFFFAOYSA-N
-rxn:4:215865:224322,CC1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)cc2)CC1,PCKFYBUCVZZBNX-UHFFFAOYSA-N
-rxn:4:215876:223712,CCc1nc(N2CCN(C)CC2)sc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,YQPDIVNRBIVTTJ-UHFFFAOYSA-N
-rxn:4:215880:222465,CCN1CCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,NKWXERHZLGRZPT-UHFFFAOYSA-N
-rxn:4:215907:224379,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,HSODOOPLXNCBSB-UHFFFAOYSA-N
-rxn:4:215914:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,LKYLZIVAIIEJMC-UHFFFAOYSA-N
-rxn:4:215940:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCC(N(C)C)CC4)cn3)c2)CC1,OEOMEQXMQLPNCA-UHFFFAOYSA-N
-rxn:4:215941:222541,CN(C)C1CCN(c2cnccc2-c2ccc(C(=O)NCCN3CCCCC3)cc2)CC1,QPOYEUSANJOPLC-UHFFFAOYSA-N
-rxn:4:215942:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2)CC1,ZLEWUQOVIKVFJR-UHFFFAOYSA-N
-rxn:4:215943:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2)CC1,CYRXHMURHFWOAN-UHFFFAOYSA-N
-rxn:4:215943:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccnc(N2CCC(N(C)C)CC2)c1,VAMAVIWMAKTDAO-UHFFFAOYSA-N
-rxn:4:215943:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccnc(N4CCC(N(C)C)CC4)c3)c2)CC1,LYWODQPBXKCKNC-UHFFFAOYSA-N
-rxn:4:215944:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2)CC1,IMVNDWIIQLFZCA-UHFFFAOYSA-N
-rxn:4:215944:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(N4CCC(N(C)C)CC4)n3)c2)CC1,NQXMHYVTJLFWSZ-UHFFFAOYSA-N
-rxn:4:215949:223712,COc1ccc(-c2sc(N3CCN(C)CC3)nc2C(C)C)cc1C12CC3CC(CC(C3)C1)C2,DKCNHJORDSXIDG-UHFFFAOYSA-N
-rxn:4:215956:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,OXVQRDNUQRSNKE-UHFFFAOYSA-N
-rxn:4:215956:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(N4CCC(N(C)C)CC4)c3)c2)CC1,OLELFDUIPXJTCM-UHFFFAOYSA-N
-rxn:4:217156:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(C)C(=O)C3)n2)CC1,FLPKKHPUONWINY-UHFFFAOYSA-N
-rxn:4:217217:222466,Cc1nc(N2CCCCC2C)ncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,FGNDVMXYPXUHRL-UHFFFAOYSA-N
-rxn:4:218600:225977,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cc(Cl)cnc3N3CCOCC3)cn2)CC1,KACCWGOVNPUXHH-UHFFFAOYSA-N
-rxn:4:218655:224501,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(OCC4CCCCN4C)cc3)cn2)CC1,YDNHXSXCPXURDK-UHFFFAOYSA-N
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-rxn:4:218656:224584,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)N4CCC(C)CC4)c3)cn2)C1,MYMMGIMXYHAMPR-UHFFFAOYSA-N
-rxn:4:218681:225092,CCCCOc1cc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)cc(Cl)c1OC,ZJHKMMFDMKQILZ-UHFFFAOYSA-N
-rxn:4:218682:225726,CCOC(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)C4CCN(C(C)=O)CC4)C3)nc2)cc1OC,MLYGJEFEGWJPRZ-UHFFFAOYSA-N
-rxn:4:218705:225975,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)n[nH]2)CC1,REUGXZLSQFLLKQ-UHFFFAOYSA-N
-rxn:4:218718:224059,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OC)cc3)c(C)nn12,UUDRSDYJPIOFTR-UHFFFAOYSA-N
-rxn:4:218745:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)ccc2F)CC1,YCYMORQLZGHUKE-UHFFFAOYSA-N
-rxn:4:218786:223598,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(F)c5)cccc4c3C2)CC1,ZDTVFWUQAODRGJ-UHFFFAOYSA-N
-rxn:4:218892:223812,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)C2)nn1,DKNLEJPBCCBXMT-UHFFFAOYSA-N
-rxn:4:218894:224462,N#Cc1cc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cnc1N1CCC(COc2ccncc2Cl)CC1,PGUMAMQVWKYRBF-UHFFFAOYSA-N
-rxn:4:218899:225059,CC1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(Cl)c2)CC1,WPOVWLWRGXUUGI-UHFFFAOYSA-N
-rxn:4:218899:225061,CC1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(F)c2)CC1,KSKKVPDAAFLQJF-UHFFFAOYSA-N
-rxn:4:218899:225213,CN1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(Cl)c2)CC1,TYWLMQQPVKSIGA-UHFFFAOYSA-N
-rxn:4:218919:222584,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCNCC4)c(F)c3)C2)cn1,IPRVWDKMUPLXPP-UHFFFAOYSA-N
-rxn:4:218964:226490,COCCOc1ccc(F)c(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)c1,LXGBMWPBFPTIPN-UHFFFAOYSA-N
-rxn:4:218976:225979,O=C1C(N2CCC(Oc3ncc(-c4cnc(N5CCOCC5)c(Cl)c4)cn3)CC2)CCN1CC(F)(F)F,FANAYMYZDUBHQK-UHFFFAOYSA-N
-rxn:4:219012:222947,CN(c1ncc(-c2cnc(N3CCCC(O)C3)nc2Cl)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,YUXCDLFPVJPCGK-UHFFFAOYSA-N
-rxn:4:219042:227466,COCCOc1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2C)cn1,PJQAJAIBUJVVPE-UHFFFAOYSA-N
-rxn:4:219184:225984,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc2)OC3)CC1,LHLYYLKBFOUFHW-UHFFFAOYSA-N
-rxn:4:219354:222602,CC(C)Cc1cc(-c2cnc(N3CCC(N(C)S(=O)(=O)C4CC4)C3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,DSVVIINIUZELFR-UHFFFAOYSA-N
-rxn:4:219381:223866,CSc1ncc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,DWWVYNBTDBHULD-UHFFFAOYSA-N
-rxn:4:219384:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2C1,HJLIJOFPGVQBHX-UHFFFAOYSA-N
-rxn:4:219409:223579,Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1,CPCCAALNOATLTM-UHFFFAOYSA-N
-rxn:4:219430:223790,Cc1ccc(OC2CCN(C(=O)c3cncc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)c3)CC2)nn1,LNFBEMRVVRRJFS-UHFFFAOYSA-N
-rxn:4:219431:223770,CC(C)(C)OC(=O)n1c(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc2c(C#N)cccc21,ZFZUSZKMCTYAMS-UHFFFAOYSA-N
-rxn:4:219455:224316,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cc(F)cc(C(=O)N3CCN(C)CC3)c2)n[nH]1,QZBABHBYTIWFRF-UHFFFAOYSA-N
-rxn:4:219478:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)c2)CC1,NGSHXDZTPCLHFO-UHFFFAOYSA-N
-rxn:4:219479:225454,CN1CC=C(c2ccc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)cc2)CC1,ZLJAYDKLOJAFAA-UHFFFAOYSA-N
-rxn:4:219529:226106,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cc(C)cc(OCC(C)C)c1,GAVMXQLKLXHKIT-UHFFFAOYSA-N
-rxn:4:219552:225312,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(N2CCCN(C)CC2)nc1,WKZIRPCOZNQDLG-UHFFFAOYSA-N
-rxn:4:219565:226177,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCCC5)c4)cc3)CC2)n1,DZSYGKPSDHGGDZ-UHFFFAOYSA-N
-rxn:4:219565:226364,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)nc4)cc3)CC2)n1,ZZILPJGMFDRDCW-UHFFFAOYSA-N
-rxn:4:219565:226366,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4)cc3)CC2)n1,FJKFHXZAROXIAV-UHFFFAOYSA-N
-rxn:4:219653:223945,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)nc3s2)CC1,VBPGUKMATTYMHC-UHFFFAOYSA-N
-rxn:4:219672:223576,COc1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N2C3CCC2CC(n2nccn2)C3)c1,ILYCNLSSWZITDK-UHFFFAOYSA-N
-rxn:4:219689:225982,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCOCC5)cc4F)n3c2)CC1,PNAPTOPDLNTTIG-UHFFFAOYSA-N
-rxn:4:219743:223952,CC(C)c1sc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,VXOBLZPTPAHKAG-UHFFFAOYSA-N
-rxn:4:219773:223812,CCn1cc(-c2nc(-c3cccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,GDVTUGWMLZBZEH-UHFFFAOYSA-N
-rxn:4:219832:222538,COCn1nc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)nc1N1CCOCC1,QOLOFWBILVPTCZ-UHFFFAOYSA-N
-rxn:4:219907:223787,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc1,VQWVEXULOASPIK-UHFFFAOYSA-N
-rxn:4:219908:223991,CN1CCCN(c2oc(-c3ccc(-c4c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c4F)o3)nc2C#N)CC1,HNTKRIZFXHGZKC-UHFFFAOYSA-N
-rxn:4:219975:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c2Cl)CC1,OPWOZRRRNXRQNY-UHFFFAOYSA-N
-rxn:4:219996:223712,COc1ccc(-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,QCBCBNTXSIVHBD-UHFFFAOYSA-N
-rxn:4:219996:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCN(c5ccnc(C6CC6)n5)CC4)cc3)c2)CC1,WBLQDBKMXIGZMI-UHFFFAOYSA-N
-rxn:4:219996:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(c5ccnc(C6CC6)n5)CC4)cc3)cc2F)CC1,STTMUIFCMMXFQP-UHFFFAOYSA-N
-rxn:4:220162:226355,COc1cc(Cl)c(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)cc1C1CC1,XRIQLFRNIHFRTI-UHFFFAOYSA-N
-rxn:4:220394:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(C)CC2)c(C#N)c1,SNIKHATZNCTXET-UHFFFAOYSA-N
-rxn:4:220394:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C)CC4)c(C#N)c3)cc2F)CC1,HUTVDVLAWRRFLY-UHFFFAOYSA-N
-rxn:4:220394:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCN(C)CC4)c(C#N)c3)c2)CC1,VYXNDVZGPULPQE-UHFFFAOYSA-N
-rxn:4:220398:224155,CN1CCN(c2cc(-c3cnc(N4CCN(C)CC4)c([N+](=O)[O-])c3)cc(C3CC3)c2)CC1,CJNYRVYFKQKPSD-UHFFFAOYSA-N
-rxn:4:220429:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,ANGIVHYARHIUOX-UHFFFAOYSA-N
-rxn:4:221094:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1cnn(CC2CN(C(=O)Cn3cnc(C4CC4)cc3=O)C2)c1,XLSNMOYWEWATSI-UHFFFAOYSA-N
-rxn:4:221100:225172,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,NZKGFGNGNMZXLA-UHFFFAOYSA-N
-rxn:4:221107:225877,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)c(=O)c1C,ACSJZHCAEJYSIR-UHFFFAOYSA-N
-rxn:4:221110:227458,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc5c(c4)OCCN5C)cn3)CC2)CC1,PZRIFQXUJMSMFV-UHFFFAOYSA-N
-rxn:4:221110:229127,Cc1c(Cl)cncc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,ZSIIXURDMDSHJR-UHFFFAOYSA-N
-rxn:4:221113:228458,CSc1ncc(-c2ccccc2CC(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)c(SC)n1,RTMHWILTZUOBCE-UHFFFAOYSA-N
-rxn:4:221115:224341,CCOc1ccc(-c2cncc(-c3ccccc3C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,YYPPWJQTJRITFV-UHFFFAOYSA-N
-rxn:4:221121:224481,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCCCN6CCCC6)cc5)ccc43)CC2)CC1,MAQZFUKEGCCLAY-UHFFFAOYSA-N
-rxn:4:221128:222404,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C6NC(=O)NC6=O)cc5)cc4)nnn3c3ccccc23)C1,DFMDJPKPNHIPIS-UHFFFAOYSA-N
-rxn:4:221152:224312,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(C(=O)N4CCN(C)CC4)c3)cn2)C1,PVQYURFFUSEKJA-UHFFFAOYSA-N
-rxn:4:221173:223945,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)ccc1=O,YFKVSDWBVQASQT-UHFFFAOYSA-N
-rxn:4:221175:228874,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cnc4Cl)cn3)C2)C(=O)C1=O,KNJSWNKRJNUCME-UHFFFAOYSA-N
-rxn:4:221175:228883,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cnc4F)cn3)C2)C(=O)C1=O,HBXIWHRONNMRNG-UHFFFAOYSA-N
-rxn:4:221193:227403,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCCCC5)s4)cn3)C2)CC1,FGUGIXRFNFYLBC-UHFFFAOYSA-N
-rxn:4:221207:226247,CCOc1ccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(OCC)c1,LTGNHKRSHCDQHO-UHFFFAOYSA-N
-rxn:4:221220:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OC4CCCN(C(=O)Cn5cnc6ccccc65)C4)nc3)c2)CC1,GDGFWGWBVYXBCL-UHFFFAOYSA-N
-rxn:4:221310:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(c5nncs5)C4)nc3)c(F)c2)CC1,MIJXJOKEOZETQI-LTLGBRPSSA-N
-rxn:4:221385:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(-c6ccccn6)nn5)CC4)o3)s2)CC1,HAUJZQXPYHYCRV-UHFFFAOYSA-N
-rxn:4:221389:223533,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)c1C,CBXHEMHLMTVTFX-UHFFFAOYSA-N
-rxn:4:221393:225454,CN1CC=C(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cc2)CC1,RYTZSPCAWKNLTP-UHFFFAOYSA-N
-rxn:4:221405:222538,CN(C)c1cc(N2CCN(Cc3ccccc3-c3cc(C4CCCC4)nc(C4CCNCC4)c3)CC2)ncn1,OIFCXWPKNFYWET-UHFFFAOYSA-N
-rxn:4:221433:226844,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,FDPOHFCTIZHORG-UHFFFAOYSA-N
-rxn:4:221434:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,PXHPEDFOVWNZOQ-UHFFFAOYSA-N
-rxn:4:221440:227116,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(Cl)c4C)cc3)CC2)n1,UPGPLDQVAIJIDU-UHFFFAOYSA-N
-rxn:4:221443:225010,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc(F)c(CN5CCCCC5)c4)c3)CC2)n1,MAHQYJJFCGVBEA-UHFFFAOYSA-N
-rxn:4:221449:224093,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)c(OCc5ccccc5)c4)cc3)CC2)n1,XVFJAQNUTMGBLZ-UHFFFAOYSA-N
-rxn:4:221456:228214,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)cc4F)cc3)CC2)n1,KEJXUEIBTQGACR-UHFFFAOYSA-N
-rxn:4:221456:228221,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CC5)c4)cc3)CC2)n1,KTVNQVAKAGVSIZ-UHFFFAOYSA-N
-rxn:4:221505:222514,COc1ccc(-c2ccc3nc(N4CCC(COc5cnccn5)CC4)ncc3c2)cc1S(=O)(=O)NC1CCCCC1,HGJDYVYIOFHMTF-UHFFFAOYSA-N
-rxn:4:221520:225363,O=C(c1ccc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)cn1)N1CC(F)(F)C1,KAFXHFMJZMGMIO-UHFFFAOYSA-N
-rxn:4:221773:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1,PQDDPPBWHACDER-UHFFFAOYSA-N
-rxn:4:221784:224244,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(Cl)c(C(=O)N5CCC(C)CC5)c4)cc3)n(C)c2=O)c1,QMKOFHSPCNIOBF-UHFFFAOYSA-N
-rxn:4:221917:223696,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)c4)CC3)nn2)n1,MLJDUCLWFGTPFM-UHFFFAOYSA-N
-rxn:4:221937:224801,CCCOc1cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nn4)CC3)nc2)cc(C(F)(F)F)c1F,YLWKFPJXRLDAPN-UHFFFAOYSA-N
-rxn:4:221965:223279,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(C6CCCN6)nc5)cc4)CC3)nn2)CC1,GSFBNPIHIAUIJL-UHFFFAOYSA-N
-rxn:4:222021:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(CN(C)c5ncnc(C)c5F)CC4)nc3)c2)CC1,YPAFWVQUUJJCHH-UHFFFAOYSA-N
-rxn:4:222058:224680,Cc1nn(-c2ccc(N3CCN(C(=O)c4cccc(-c5cc(C(=O)N6CCCCC6)ccc5F)c4)CC3)nn2)c(C)c1C,FWIWOCLIKZUCRW-UHFFFAOYSA-N
-rxn:4:222062:223140,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,SOVWGIMRRLAWIH-UHFFFAOYSA-N
-rxn:4:222108:223105,CNS(=O)(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)cc1C,NSDNCGCWPZMNKP-UHFFFAOYSA-N
-rxn:4:222108:224773,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N7CCCC7)c(C)c6)cc5)no4)C3C2=O)cc1F,YRZMNFAFKPQRCG-UHFFFAOYSA-N
-rxn:4:222108:225757,COC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc(C(C)C)n1,BXSLEINONHTKEH-UHFFFAOYSA-N
-rxn:4:222108:225771,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1OC(C)C,MQCGKJGDPLJXDA-UHFFFAOYSA-N
-rxn:4:222156:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)nc2)CC1,COGIBKHVHCIDLP-UHFFFAOYSA-N
-rxn:4:222161:223945,Cn1nc(C2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)n(C2CC2)c1=O,HXWXKWBYYHYKCS-UHFFFAOYSA-N
-rxn:4:222188:223568,CCc1ncnc(N2CC3CN(c4ncc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5Cl)cn4)CC3C2)c1F,CUTMULPQRURGLH-UHFFFAOYSA-N
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-rxn:4:222321:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5ccnc(N(C)C)n5)CC4)nc3)c(F)c2)CC1,JORVQRVKKTXRLD-RQNOJGIXSA-N
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-rxn:5:180022:226374:223006,COc1c(-c2ccc(F)c(C3CCNCC3)c2)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,GEJUWEQEZUIYMZ-UHFFFAOYSA-N
-rxn:5:180662:225976:223061,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,GMSMPFSSUBIPOC-UHFFFAOYSA-N
-rxn:5:180662:227568:225677,COC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)nc3F)cc(-c3c(F)cc(OC)cc3OC)c2OC1,GLDTZJYKOGYKAR-UHFFFAOYSA-N
-rxn:5:181904:223062:222957,Cc1cc(-c2c(-c3cnc(C4CCNCC4)cc3F)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,RTSHFGCMGYWCMQ-UHFFFAOYSA-N
-rxn:5:181906:222987:225466,Cc1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,BSQHREIFZYVWQG-UHFFFAOYSA-N
-rxn:5:181906:222987:225633,Cc1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCCCCC2)nc1,MRCZAHPNCJFBGV-UHFFFAOYSA-N
-rxn:5:181906:223058:226652,Cc1cc(-c2c(C)ccc(-c3cc(F)nc(C4CCCNC4)c3)c2C2OCCO2)n(C2CCCCO2)n1,XSZFAEWEHQTBJB-UHFFFAOYSA-N
-rxn:5:181906:225683:223063,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cc(F)nc(C2CCNCC2)c1,WRZCCPNOZHTWOU-UHFFFAOYSA-N
-rxn:5:181907:225394:222985,Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,PDXOXFLVOMMDEU-UHFFFAOYSA-N
-rxn:5:181907:226428:222985,Cc1cc(-c2cc(N3CCCCC3C)cs2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,YJXBXISVONOUDF-UHFFFAOYSA-N
-rxn:5:181908:222981:225655,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2cncc(N3CCC(C)CC3)c2)cc1C1OCCO1,TZCJIDNKQHPPQD-UHFFFAOYSA-N
-rxn:5:181908:225514:222987,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,RLUBQWIPZYKVHX-UHFFFAOYSA-N
-rxn:5:181908:225672:222985,Cc1cc(-c2cc(F)nc(C3CCCCC3)c2)c(-c2ccc(C3CCCNC3)nc2C)cc1C1OCCO1,QSBFUOCRTIMODX-UHFFFAOYSA-N
-rxn:5:182010:222958:225683,Cc1ccc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2CCOCC2)cc1C1CCNCC1,WIJSFSSRCKPILL-UHFFFAOYSA-N
-rxn:5:182010:223294:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2csc(N3CCNCC3)n2)c1,ZVIIYYFWOMNZJF-UHFFFAOYSA-N
-rxn:5:182012:222987:222988,Cc1cc(-c2ccc(-c3ccc(C4CCNCC4)nc3C)cc2C2CCCOC2)cc(C2CCNCC2)n1,WPZHDBFMPSMHKX-UHFFFAOYSA-N
-rxn:5:182012:222988:223058,Cc1cc(-c2ccc(-c3cc(F)nc(C4CCCNC4)c3)c(C3CCCOC3)c2)cc(C2CCNCC2)n1,UBWUXCCVQLWBDK-UHFFFAOYSA-N
-rxn:5:182012:223294:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2csc(N3CCNCC3)n2)cc1C1CCCOC1,MSKXFWWNNPQPEA-UHFFFAOYSA-N
-rxn:5:182012:226177:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCCC3)c2)cc1C1CCCOC1,PAVIQSYFIPNJKY-UHFFFAOYSA-N
-rxn:5:183189:222998:222987,Cc1nc(C2CCNCC2)ccc1-c1cc2c(c(-c3cc(F)cc(C4CCCNC4)c3)c1)OC(C)(C)OC2,MPIBYTBJFHVRPU-UHFFFAOYSA-N
-rxn:5:183189:225832:223137,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCCNC3)c2)cc2c1OC(C)(C)OC2,MQFSDLGWJHDWEN-UHFFFAOYSA-N
-rxn:5:183189:226686:222981,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccnc(NC3CCCCC3)c2)cc2c1OC(C)(C)OC2,YWDPTLFCWNEBAR-UHFFFAOYSA-N
-rxn:5:188874:225449:226661,CON(C)C(=O)c1ccc(-c2cc(N3CCN(C)CC3)cs2)cc1-c1cccc(OC2CCCCC2)c1,VGMRLHVEIJUUII-UHFFFAOYSA-N
-rxn:5:189207:225507:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)cc1C(=O)ON1C(=O)CCC1=O,PWCGCSAVLZZJAQ-UHFFFAOYSA-N
-rxn:5:189207:226341:228145,COc1ccc(C#N)c(-c2ccc(-c3cc(C(C)C)c(F)cc3OC)cc2C(=O)ON2C(=O)CCC2=O)c1,HQPYSSVXRYZFIA-UHFFFAOYSA-N
-rxn:5:189322:223105:226598,CNS(=O)(=O)c1cc(-c2cnc(-c3cc(OC(C)C)c(F)cc3F)c(C(=O)OC(C)(C)C)c2)c(F)cc1C,OEHHSMUYISZAHW-UHFFFAOYSA-N
-rxn:5:189323:225980:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ncc1-c1cc(N2CCOCC2)ncc1F,SJBLKNSZGHOJSA-UHFFFAOYSA-N
-rxn:5:189449:225507:226782,COC(=O)c1cc(F)c(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)c(C(=O)N3CC(OC)C3)c2)cc1F,FXPSGYXHPJXUNU-UHFFFAOYSA-N
-rxn:5:189662:225881:226464,COc1ccc2c(c1-c1ncc(-c3ccc(C4CCOCC4)nc3F)cc1OCC1CCOCC1)OCCO2,LIPPYFXJTKJAEB-UHFFFAOYSA-N
-rxn:5:189667:223018:226914,Cc1cc(CC(C)C)ccc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,UHTQPIJJKSBKFO-CZYMANSZSA-N
-rxn:5:189674:226342:225803,COC(=O)c1c(C)cc(-c2cc(-c3ccnc(OC4CCOCC4)c3)ccc2/C=N/S(=O)C(C)(C)C)cc1C,ORZHTVUZJLXIIP-HNSNBQBZSA-N
-rxn:5:189718:228484:226756,COc1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc([N+](=O)[O-])c(F)c2)ccc1C(F)(F)F,QZRUARCKURNUKT-UHFFFAOYSA-N
-rxn:5:189908:227561:225394,COc1cc(F)c(-c2cnc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCCCC3)c2)cc1OC,BDPZIVXCXAEPBQ-UHFFFAOYSA-N
-rxn:5:189952:223006:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,IUBVJTKQZSJPIQ-UHFFFAOYSA-N
-rxn:5:189952:223113:225978,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,DSKPIIKNSRWSLS-UHFFFAOYSA-N
-rxn:5:189952:225834:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCCC2)ncc1F,PREFYWPEIKHOSD-UHFFFAOYSA-N
-rxn:5:189952:227316:223006,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,WLNABDCJAMKKMO-UHFFFAOYSA-N
-rxn:5:190131:226881:227937,COc1c(-c2cccc(SC(C)C)c2)cc(C(=O)N2CCCCC2)cc1-c1c(F)c(F)c(OC)c(F)c1F,CUVUNIHWWDZYST-UHFFFAOYSA-N
-rxn:5:190177:227297:225622,CN(C)Cc1ccc(F)c(-c2ccc(N3C(=O)CC(Sc4ccc(-c5ccccc5OC5CCCCO5)cc4)C3=O)cc2)c1,AGXIJPHDXUIFEH-UHFFFAOYSA-N
-rxn:5:190195:223113:223065,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCNCC3)cc2F)c1)C1CCOCC1,FMDUPHAYYKIYLR-UHFFFAOYSA-N
-rxn:5:190195:226645:223113,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,GRWGRLWYBPQEIZ-UHFFFAOYSA-N
-rxn:5:190197:223113:223062,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,ICNNIRDASQVLQN-UHFFFAOYSA-N
-rxn:5:190201:223113:226364,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccc(N3CCCCC3)nc2)CCO1,KSYHUJXMCBFZTJ-UHFFFAOYSA-N
-rxn:5:190265:225394:228292,CC1CCCN(C(=O)Cc2ccc(-c3ccnc4c3OCCO4)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)C1,PLAMVDBLTVBRDR-UHFFFAOYSA-N
-rxn:5:190336:226345:229049,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cnc4n3CCC4)c2OC)c(C)cc1C,PTAXJUDWKWCZDM-UHFFFAOYSA-N
-rxn:5:190484:227084:227409,Cc1nc(C(C)(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,VRCTVSIQUPLTCC-UHFFFAOYSA-N
-rxn:5:190484:227773:228236,O=C(c1cccc(-c2cccnc2OC(F)(F)F)c1)N1CCC(c2ccccc2-c2ccnc(F)c2C2CC2)S(=O)(=O)CC1,KLPKJHWHAXZIHD-UHFFFAOYSA-N
-rxn:5:190484:227831:227409,CCc1c(C)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cc1C,WUHINHZTRLBMGC-UHFFFAOYSA-N
-rxn:5:190484:227963:227409,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)ccn1,UBXIAPORYPHEPH-UHFFFAOYSA-N
-rxn:5:190740:225655:223010,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1ccc(C2(O)CCOCC2)cc1,NJKNTVSCVAABOB-UHFFFAOYSA-N
-rxn:5:190741:223062:225849,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,UNFKCRIQXGBICO-UHFFFAOYSA-N
-rxn:5:190741:223064:225655,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,YYCGVOFUOPSQOX-UHFFFAOYSA-N
-rxn:5:190742:223062:225454,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(C2=CCN(C)CC2)cc1,OABDENUVSYTYHW-UHFFFAOYSA-N
-rxn:5:190743:225833:225833,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,UZXDSDDEMBEDLD-UHFFFAOYSA-N
-rxn:5:190744:225833:223064,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,UKZZPDAMZNBLDG-UHFFFAOYSA-N
-rxn:5:190796:223018:226573,Cc1nc(OC(C)(C)C)ncc1-c1cccc2c1c(-c1ccc3c(c1)NC(=O)C(C)(C)O3)cn2C(=O)OC(C)(C)C,FIQRUMOMMSXCTC-UHFFFAOYSA-N
-rxn:5:190799:226334:223018,Cc1cc(C(=O)N(C)C)cc(-c2c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc3c2ccn3C(=O)OC(C)(C)C)c1,YEDSFZBSSAPREF-UHFFFAOYSA-N
-rxn:5:190832:226664:225849,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCC4)ncc3F)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,ZZPWFMUYIPSXBT-UHFFFAOYSA-N
-rxn:5:190998:227071:226926,COCc1cc(C)c(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(C)(C)C)cc4C)cc2C(=O)OC)C(=O)CO3)c(C)c1,HFHUQECZMCAGAJ-UHFFFAOYSA-N
-rxn:5:191049:225976:226645,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1ccnc(N2CCOCC2)c1,PMYFLFZDGVDMQW-UHFFFAOYSA-N
-rxn:5:192566:225636:225985,CC1CCN(c2cc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(C4(C#N)CCC4)c3)ccn2)CC1,BORICAZGOROSII-UHFFFAOYSA-N
-rxn:5:192566:225638:225985,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(C4(C#N)CCC4)c3)cn2)CC1,BFXKINWNNQRYMV-UHFFFAOYSA-N
-rxn:5:192566:225639:225985,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(C3(C#N)CCC3)c2)CC1,PZKVMNMTGCRKMT-UHFFFAOYSA-N
-rxn:5:192566:225655:225985,CC1CCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(C4(C#N)CCC4)c3)c2)CC1,LDBIKIBDLFBPRV-UHFFFAOYSA-N
-rxn:5:192567:225636:225985,CC1CCN(c2cc(-c3ccc(-c4cccc(N5CCCS5(=O)=O)c4)c(C4(C#N)CCC4)c3)ccn2)CC1,PIQAJLMDIIIVTO-UHFFFAOYSA-N
-rxn:5:192567:225639:225985,CC1CCN(c2ncccc2-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)c(C3(C#N)CCC3)c2)CC1,CGCQHWQTWPKMEB-UHFFFAOYSA-N
-rxn:5:193226:227316:223062,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2cnc(C3CCNCC3)cc2F)cc(F)n1,HNBHRTIYIBYLBN-UHFFFAOYSA-N
-rxn:5:193227:225641:226913,CCc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccnc(N4CCCC(C)C4)c3)c2)cc(C2CC2)c1,DWQOEPDBUFOEFT-UHFFFAOYSA-N
-rxn:5:193230:225849:225976,O=C(c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,MKSLNCNFYBDBDF-UHFFFAOYSA-N
-rxn:5:193335:225834:223141,Fc1cnc(N2CCCCC2)cc1-c1cccc(-c2cncc(C3CCNCC3)c2)c1CN1CCOCC1,XQABFICXVJIXOZ-UHFFFAOYSA-N
-rxn:5:193382:228703:225982,O=S(=O)(c1ccc(-c2cnn(C3CCC3)c2)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,YHPXDEOJWSACCO-UHFFFAOYSA-N
-rxn:5:193468:225452:226428,CC1CCCCN1c1csc(-c2cccc(-c3ccc(OC4C=CCCC4)cc3)c2C(=O)N2CCC[C@@H]2C)c1,HDEHBRONEWJRFU-WRDKWTGGSA-N
-rxn:5:193506:223065:226364,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccc(N3CCCCC3)nc2)CC1,JOJRUEIEPJKQFA-UHFFFAOYSA-N
-rxn:5:193506:223065:228578,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2ccc(C3CC3)nc2)CC1,OTUMYGOACIFYKW-UHFFFAOYSA-N
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-rxn:5:193506:223065:229013,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2sccc2C2CC2)CC1,LLFJLHDLQCWDMP-UHFFFAOYSA-N
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-rxn:5:193506:223294:228012,O=C1CCN(S(=O)(=O)c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2cccc(F)c2C2CC2)CC1,NDJJHZNHMIECRB-UHFFFAOYSA-N
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-rxn:5:193506:225940:226191,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cnc3C3CC3)cc2-c2cc(C3CCCC3)ccc2F)CC1,WXQOFEDUERRRTL-UHFFFAOYSA-N
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-rxn:5:193506:226364:228020,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2c(F)cccc2C2CC2)CC1,VIJOSMIFBMDRNG-UHFFFAOYSA-N
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-rxn:5:193506:226679:223132,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc(N3CCNCC3)c2)CC1,IFHMNASVDGGULQ-UHFFFAOYSA-N
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-rxn:4:177683:223846,Cc1cc(-c2ccc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,WIPNLPPQRRUVIU-UHFFFAOYSA-N
-rxn:4:177748:223813,COc1cc(F)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1OC1CCC1,JUMZVZUFYODVIQ-UHFFFAOYSA-N
-rxn:4:177978:223559,COC(=O)C1(C)OC1(C)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,YLSWESHBFCEKFS-UHFFFAOYSA-N
-rxn:4:178248:222573,COC(=O)C1(c2ccc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cc2)CCOCC1,YODCNXQRXKNRIN-UHFFFAOYSA-N
-rxn:4:178298:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)c4cccc(C5OCCO5)c4)cc3)cn2)C1,GTHOLZRSMVAVKW-UHFFFAOYSA-N
-rxn:4:178330:222465,COC(=O)C1(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)CC2(C1)OCCO2,KMZTUAKOQUVPFF-UHFFFAOYSA-N
-rxn:4:178384:225182,Clc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1OC1CCCCC1,NSASRIWLVQYQRV-UHFFFAOYSA-N
-rxn:4:178384:225921,COc1cc(-n2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cn2)ccn1,KNRBRGVRYOEOLI-UHFFFAOYSA-N
-rxn:4:178384:227050,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1OC(C)C,ZMSZAUBQXGAJJC-UHFFFAOYSA-N
-rxn:4:178384:227245,CCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1OC,UBCDVVPZNBGNDQ-UHFFFAOYSA-N
-rxn:4:178384:228254,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1F,MQCMUWBOGDZQIG-UHFFFAOYSA-N
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-rxn:4:182359:224349,COC1CCC2(CC1)Oc1ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cc1C2=O,IABTVPJTPRHPAU-UHFFFAOYSA-N
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-rxn:4:183274:228414,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(Cl)c1F,AZSCWIKIONAEDG-UHFFFAOYSA-N
-rxn:4:183274:228924,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(Cl)n1,HJPLKZHDLDZLHT-UHFFFAOYSA-N
-rxn:4:183525:225387,CCOC(=O)Cc1ccc(C(F)(F)F)c(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2F)c1C#N,OBBZRXVSTCKYFQ-UHFFFAOYSA-N
-rxn:4:183583:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(C(=O)OC)C(=O)OC)c([N+](=O)[O-])c2)cc1C,GQJHBTYKAYPRSL-UHFFFAOYSA-N
-rxn:4:183596:223792,CCC(Oc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1)C(=O)OC,JOEMMLUFHHGKIU-UHFFFAOYSA-N
-rxn:4:183669:222603,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cc(OC)c(NC(=O)OC(C)(C)C)cc3Cl)o2)C1,AOUKLPFGLCUJBE-UHFFFAOYSA-N
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-rxn:4:183861:225182,COC(=O)CN1CCC(COc2cccc(-c3ccnc(OC4CCCCC4)c3Cl)c2)CC1,ZJCHQNJFQJQTON-UHFFFAOYSA-N
-rxn:4:183903:223168,CC(C)(C)OC(=O)Oc1cc(-c2cccnc2N2CCNCC2)cnc1C#C[Si](C)(C)C,UZZMWIBWXBNQST-UHFFFAOYSA-N
-rxn:4:183965:224718,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccc(OCCN3CCOCC3)nc2)c1,ALJONOFPGZYGTL-UHFFFAOYSA-N
-rxn:4:183969:223995,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)c(OC)c2)CC1,VWMMBWDVMCLMFF-UHFFFAOYSA-N
-rxn:4:183976:224585,CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)N(Cc4ccc(Cl)cc4)CC4CCCO4)cc3)cc2)CC1,UIAWAVNSMNGVOK-UHFFFAOYSA-N
-rxn:4:183987:224806,COc1ccc(-c2ccc(S(=O)(=O)N(C)C3CC3)cc2F)cc1C=NOC(=O)c1ccc(C(C)(C)C)cc1,HDPRWVSXOULCEE-UHFFFAOYSA-N
-rxn:4:184053:226067,CN(Cc1cc(-c2ccc(C3=CCCCC3)cc2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,HFJRBXKSVHZZDA-UHFFFAOYSA-N
-rxn:4:184067:226496,CCN(CC)c1cc(F)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(F)(F)CC3)cc2)cn1,NENJGNCSJOIZQU-UHFFFAOYSA-N
-rxn:4:184073:223142,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2cccc(-c3ccc(C4CCCNC4)nc3)c2)C1,YSMHYJNHXXNUEU-UHFFFAOYSA-N
-rxn:4:184083:224396,COc1cc(C=C2N=C(c3ccc(F)cc3)OC2=O)cc(Cl)c1OCc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,WFICQAFEWIIPCJ-UHFFFAOYSA-N
-rxn:4:184096:224418,CC1(C)CCC(N(Cc2ccc(-c3cccc4c3-c3ccccc3C4(C)C)cc2)C(=O)OC(C)(C)C)CC1,CLODNCVAFYYMRJ-UHFFFAOYSA-N
-rxn:4:184097:223896,COc1cccc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)c1C(=O)N(C(C)C)C(C)C,RNSSPIKABUGICP-UHFFFAOYSA-N
-rxn:4:184199:222730,CCCc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOC3)c3ccccc23)cc(C2CCNCC2)n1,JVRCXCDDRXWFDI-UHFFFAOYSA-N
-rxn:4:184462:222630,COC(=O)Cc1cc(C#N)c(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c(C(F)(F)F)c1,BMTMORNXCUNDRF-UHFFFAOYSA-N
-rxn:4:184545:223886,COC(=O)Cc1cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc(OC)c1C#N,SWOPVEVXACTSNI-UHFFFAOYSA-N
-rxn:4:184913:223926,COC(=O)C1CN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2OC)C1,BYKHGQKYXPESOD-UHFFFAOYSA-N
-rxn:4:185005:226844,O=C(COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCCC(C(F)(F)F)C1,HDQOVZVWEVPISK-UHFFFAOYSA-N
-rxn:4:185057:223107,COc1ncc(-c2cc(C(F)(F)F)ccc2C(=O)N(C(C)C)C(C)C)cc1NS(C)(=O)=O,WXQDHCUOEPONHQ-UHFFFAOYSA-N
-rxn:4:185134:225832,COC(=O)C1CCN(CCc2ccc(-c3c(C)nn(C4CCCCO4)c3C)cc2)CC1,XNHZZHANACSXSL-UHFFFAOYSA-N
-rxn:4:185144:222389,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CC1,JMTVATNKJGIHLD-UHFFFAOYSA-N
-rxn:4:185163:222465,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc(C(F)(F)F)c2)C1,UVYHGWPEQXZZOT-UHFFFAOYSA-N
-rxn:4:185198:226686,COC(=O)c1cc(-c2c(C)cnn2C2CCCCO2)ccc1CN1CCC(OC)CC1,SVLGGMKJBODMMN-UHFFFAOYSA-N
-rxn:4:185206:225575,COC(=O)c1ccc(-c2cc(OC)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1C1CC1,CZVKDWVVXXKNPQ-UHFFFAOYSA-N
-rxn:4:185244:226022,COc1cccc(OC(F)(F)F)c1-c1cccc(C(=O)N(CC(C)C)C2CCS(=O)(=O)C2)c1,JLCABSVQHYUHJS-UHFFFAOYSA-N
-rxn:4:185247:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(OC)c1CN1CCC(C(F)(F)F)CC1,HDGINXPNIMSTBO-UHFFFAOYSA-N
-rxn:4:185248:222573,COc1cc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,VQAZTEXYSOWSAA-UHFFFAOYSA-N
-rxn:4:185255:224125,COc1ccccc1C(=O)N(c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,XBYNQJKCTIYSKP-UHFFFAOYSA-N
-rxn:4:185256:224573,COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccccc3-c3ccc(N4CCCCC4C)cc3C#N)C2)cc1,MMVGGTWUMFKWAN-UHFFFAOYSA-N
-rxn:4:185271:226534,COC(=O)c1cc(OC)ccc1-c1ccc(C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,IMPDBKCXKOKMKD-UHFFFAOYSA-N
-rxn:4:185346:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccnc2C#CC(C)(C)O[Si](C)(C)C(C)(C)C)c1,JLNQFNLVHNSLCZ-UHFFFAOYSA-N
-rxn:4:185347:226507,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2cc(OCC(C)C)ncc2F)cc1OC,ZCXSTPQJJQJLCT-UHFFFAOYSA-N
-rxn:4:185355:222845,CC(c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1)N1CCNCC1,GCLBIUJLUDIWIH-UHFFFAOYSA-N
-rxn:4:185380:225622,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccccc3OC3CCCCO3)cc2)(C(F)(F)F)CC1,MKQWFHFXWLLBDR-UHFFFAOYSA-N
-rxn:4:185406:226059,COc1cc(-c2ccc(C(C)C)cc2C(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,YCTDYFSFHNFKJT-UHFFFAOYSA-N
-rxn:4:185407:228002,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1sccc1C1CCCC1,IJSWJYXMWCDCAQ-UHFFFAOYSA-N
-rxn:4:185412:224960,COc1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)cc1OC1CCCC1,XQNJFTXVPFYIDL-UHFFFAOYSA-N
-rxn:4:185436:222462,COc1cc(C)c(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,XKSJCRKNNGBOAJ-UHFFFAOYSA-N
-rxn:4:185535:223035,COC(=O)[C@@H]1Cc2ccc(-c3cccnc3NC(=O)C(C)(C)C)cc2CN1C(=O)OC(C)(C)C,UKICHNMCPVMLIN-FQEVSTJZSA-N
-rxn:4:185535:225074,COC(=O)[C@@H]1Cc2ccc(-c3c(C(C)C)nn4c(OC)cccc34)cc2CN1C(=O)OC(C)(C)C,TZLBXANFBBEEOP-NRFANRHFSA-N
-rxn:4:185574:224569,COc1cc(CN2CCc3c(cccc3-c3cc(F)cc(OCC4CCCCC4)c3)C2)cc(OC)c1OC,KPAKZRNYMVOSOK-UHFFFAOYSA-N
-rxn:4:185589:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,VZRLFBWLXZLIEC-UHFFFAOYSA-N
-rxn:4:185626:224380,Cc1nccn1-c1ccc(-c2cc(F)cc3c2C[C@](c2ccccc2)([C@@H]2CCCN2C(=O)OC(C)(C)C)O3)cc1C(F)(F)F,CHRHOKZLFQVEQF-DITALETJSA-N
-rxn:4:185886:223592,COC(=O)c1ccc(C(F)F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)c1C#N,ZLSSUXKZRQHHEO-UHFFFAOYSA-N
-rxn:4:185897:223998,COC(=O)c1c(C(F)(F)F)ccc(C#N)c1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,MJTKKEZAABXYJB-UHFFFAOYSA-N
-rxn:4:186090:223559,CCOc1ncc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C(=O)OC,GUWVQKOMFZTJAT-UHFFFAOYSA-N
-rxn:4:186290:222628,CN(C)C(=O)c1cc(OC(F)(F)F)cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1,ABISGSCOPAGDFJ-UHFFFAOYSA-N
-rxn:4:186322:223712,COc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c(C)c(COC(C)=O)n1,KSQHCGFPOSTRPB-UHFFFAOYSA-N
-rxn:4:186339:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cnc1OC(C)C,OSPORPCONCFLDT-UHFFFAOYSA-N
-rxn:4:186714:223683,COC(=O)C1CN(Cc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c(F)c2)C1,AIKZKATYCSRETN-UHFFFAOYSA-N
-rxn:4:186743:225221,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCC4)cc3OC(F)(F)F)c(F)cn2)C1,CELRRILFERGZDI-UHFFFAOYSA-N
-rxn:4:186843:222539,CCOC(=O)c1cnc(C(C)(C)C)cc1-c1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2,NMJLVBGYGWUAGF-UHFFFAOYSA-N
-rxn:4:187008:223534,COC(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(CN2CCC(F)(F)C2)c1,FMDQKWHUPRQQPL-UHFFFAOYSA-N
-rxn:4:187008:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)cc3CN3CCC(F)(F)C3)c(F)c2)CC1,XIEPZVXWEJJKLF-MXVIHJGJSA-N
-rxn:4:187011:224501,CN1CCCCC1COc1ccc(-c2ccc(CN3CC[C@H](OS(C)(=O)=O)C3=O)c(F)c2)cc1,FFHJBMJQENFDIQ-FHZUCYEKSA-N
-rxn:4:187081:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc([N+](=O)[O-])cc(F)c3OCC3CCCCC3)c2)CC1,IVGKGVSJSIBSGJ-UHFFFAOYSA-N
-rxn:4:187097:222634,O=C1SC(SCc2ccccc2Cl)=NC1=Cc1cccc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1,DNVNQHNWMPVRHC-UHFFFAOYSA-N
-rxn:4:187110:223897,Cc1ccc(-c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cc2)cc1OCCCN1CCOCC1,HKBUCOISFZEQTC-UHFFFAOYSA-N
-rxn:4:187112:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(CN4CCCC4)c(OC)c3)c(F)c2)CC1,GGPDPEFEMHIGLW-YHBQERECSA-N
-rxn:4:187126:223559,COc1cc(S(=O)(=O)N2CCCC2)c(OC)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,SFNUZWFYCKRYNC-UHFFFAOYSA-N
-rxn:4:187153:224393,O=C(CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1)N1CCCC(F)(F)C1,WCZGUPPKXALFJI-UHFFFAOYSA-N
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-rxn:4:187158:226085,CC1(C)CCc2cc(-c3cccc(S(=O)(=O)CC(=O)N4CCC(F)(F)CC4)c3)ccc2O1,SBTOPKJCPXTPAW-UHFFFAOYSA-N
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-rxn:4:187352:224162,CC(C)[Si](c1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)s1)(C(C)C)C(C)C,VGEKTLMRTQWQPY-UHFFFAOYSA-N
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-rxn:4:187424:224593,COC(=O)c1ccc(-c2ccc(F)c(CN3CCC(C)CC3)c2)cc1CN1CCCC(C)C1,MZMDWPCBLCEBRP-UHFFFAOYSA-N
-rxn:4:187425:225195,COC(=O)c1ccc(-c2ccc(F)c(OC3CCCCO3)c2)cc1CN1CCC(C)CC1,LTCQWAZOMIYTLI-UHFFFAOYSA-N
-rxn:4:187426:222537,COC(=O)c1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)ccc1CN1CCC(C)CC1,NQCDASCUUFBXLR-UHFFFAOYSA-N
-rxn:4:187436:222909,Cc1ccc(-c2ccnc(NC(=O)OC(C)(C)C)c2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,OQWVCOQCKQBHSP-UHFFFAOYSA-N
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-rxn:4:187481:224355,COc1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc1S(=N)(=O)CC1(C)CCOCC1,BPVXQZXVWQNSPB-UHFFFAOYSA-N
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-rxn:4:187553:223139,CCOc1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CC(C)OC(C)C1,WYKIOJFHTWZFSM-UHFFFAOYSA-N
-rxn:4:187563:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CN4CCCC(F)(F)C4)c(Oc4ccccc4)c3)ccc2F)CC1,IMYYRXPCGLNGNW-UHFFFAOYSA-N
-rxn:4:187573:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,FUFCEHAOHIFDIS-UHFFFAOYSA-N
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-rxn:4:187579:227119,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cc(C3CCCCC3)cs2)c1,CRELIOFPMIQROX-UHFFFAOYSA-N
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-rxn:4:187600:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)cc1,JHLQSXNOCBCUBQ-UHFFFAOYSA-N
-rxn:4:187641:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1,BCUOPICJXUBJMJ-UHFFFAOYSA-N
-rxn:4:187659:226230,COCCOCc1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,KXYKMNSYXZQRRI-UHFFFAOYSA-N
-rxn:4:187665:224274,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)c1,OCLWNJWFXDYBGR-UHFFFAOYSA-N
-rxn:4:187685:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)cc3)cn2)C1,AGUIKUHEOBTFGB-UHFFFAOYSA-N
-rxn:4:187691:223696,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1F,FQJPHDDHPJHRME-UHFFFAOYSA-N
-rxn:4:187825:222545,COc1ccc2c(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cn(C(=O)OC(C)(C)C)c2c1,RXXURSJEQJDTNT-UHFFFAOYSA-N
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-rxn:4:187876:223954,COc1cc2c(cc1-c1ccc(OCCN3CCC(=O)CC3)c(F)c1)CC(Cc1ncccc1C(F)(F)F)C2=O,ADOUUONVCSHBPH-UHFFFAOYSA-N
-rxn:4:187916:224877,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(COC2CCCCC2)cc1,JFVNOYCWSQZLJT-UHFFFAOYSA-N
-rxn:4:187938:223772,COc1ccc2cc(-c3ccc(CN4C=Cc5cc(OC)c(OC)cc5CC4=O)cc3)n(C(=O)OC(C)(C)C)c2c1,XSBIZAOZQUZYNH-UHFFFAOYSA-N
-rxn:4:187945:224930,CCN(CC)Cc1cc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3CC(C)C)ccc1OC,ZJVRCLFWOVTDJF-UHFFFAOYSA-N
-rxn:4:187961:222838,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(CNC(=O)C(C)(C)C)cc3)cc1)CC(C)(C)CC2=O,RTQGNPMRKBIODP-UHFFFAOYSA-N
-rxn:4:187969:222545,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cccc21,NSMFCPZGXOMJNU-UHFFFAOYSA-N
-rxn:4:187973:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1C(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,GNGGAALRXQETQP-UHFFFAOYSA-N
-rxn:4:187999:227807,COc1cc(-c2cccc3c2CCCC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,BGBVUJHAUIMRPA-UHFFFAOYSA-N
-rxn:4:188669:222439,Cc1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)ccc([N+](=O)[O-])c1OC(F)F,QSONXMCFGMTBSW-UHFFFAOYSA-N
-rxn:4:188868:223588,Cc1cc(-c2c(C(=O)OC(C)C)ccnc2Cl)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,QAIOAMPGFWIWAU-UHFFFAOYSA-N
-rxn:4:189391:224770,Cc1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CC(F)(F)C2)cc(S(=O)(=O)N2CCCC2)c1,RHADHJWQXKALTD-UHFFFAOYSA-N
-rxn:4:189436:222514,COc1ccc(-c2ccc(OC3CN(C(C)=O)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,RRKBJRVHTUYKID-UHFFFAOYSA-N
-rxn:4:189505:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC1,UHKRALZOWCHASR-UHFFFAOYSA-N
-rxn:4:189505:224323,Cc1cc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)cc(C)c1S(=O)(=O)N1CCCC1,CDDBMRLSMFIHFG-UHFFFAOYSA-N
-rxn:4:189505:224398,Cc1cc(F)c(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)cc1S(=O)(=O)N1CCCC1,HBUMLJWIDVFYGK-UHFFFAOYSA-N
-rxn:4:189505:224570,CC(c1ccc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)cc1)N1CCN(C)CC1,PEMXTQCECLVUDD-UHFFFAOYSA-N
-rxn:4:189505:224571,CC(C)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)cc2)CC1,UDKRMOQZHZBXBJ-UHFFFAOYSA-N
-rxn:4:189505:224573,CC1CCCCN1c1ccc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)c(C#N)c1,BSASZDWCANTHQN-UHFFFAOYSA-N
-rxn:4:189505:224584,CC1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)c2)CC1,QVDQGAPCVSAXBC-UHFFFAOYSA-N
-rxn:4:189505:224585,CC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)cc2)CC1,UPPIZPHMQYYXAS-UHFFFAOYSA-N
-rxn:4:189505:224659,CN1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)c2)CC1,KZHGDJOZWZKSIC-UHFFFAOYSA-N
-rxn:4:189505:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)cc2)CC1,CUUUUHYFQZTUTP-UHFFFAOYSA-N
-rxn:4:189505:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)c2)CC1,OYSXBLVUPHPFJG-UHFFFAOYSA-N
-rxn:4:189505:224686,O=C(c1ccc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)c(F)c1)N1CCCCC1,WOVGKJBPEPQEGD-UHFFFAOYSA-N
-rxn:4:189505:224689,O=C(c1ccc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)c(Cl)c1)N1CCCCC1,FBDPWYDHTFYUEN-UHFFFAOYSA-N
-rxn:4:189505:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC1,KTCARMFKHBNQOR-UHFFFAOYSA-N
-rxn:4:189505:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC1,TTYCYPYGCPWKPY-UHFFFAOYSA-N
-rxn:4:189505:224770,Cc1cc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)cc(S(=O)(=O)N2CCCC2)c1,SPHFBNMNQPCRDJ-UHFFFAOYSA-N
-rxn:4:189505:224771,Cc1ccc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)cc1S(=O)(=O)N1CCCC1,DRWSQOBEHUIODS-UHFFFAOYSA-N
-rxn:4:189505:224773,Cc1cc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)ccc1S(=O)(=O)N1CCCC1,SSCVQZLEGGRGDZ-UHFFFAOYSA-N
-rxn:4:189505:224811,O=[N+]([O-])c1cc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)ccc1N1CCOCC1,HRNDVSSKFUZOJN-UHFFFAOYSA-N
-rxn:4:189507:223993,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,ZMDAJHNFIZJYBK-UHFFFAOYSA-N
-rxn:4:189507:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,BNLZFCQHEATVJI-UHFFFAOYSA-N
-rxn:4:189507:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,AVAMKYFYFHROHS-UHFFFAOYSA-N
-rxn:4:189507:224323,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cc(C)c1S(=O)(=O)N1CCCC1,JEFJVAKNUBOFFU-UHFFFAOYSA-N
-rxn:4:189507:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,XTSRUENNDRNDFE-UHFFFAOYSA-N
-rxn:4:189507:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,LHZBMNHWAYJBOL-UHFFFAOYSA-N
-rxn:4:189507:224398,Cc1cc(F)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cc1S(=O)(=O)N1CCCC1,VJHXVAGZLPHPPV-UHFFFAOYSA-N
-rxn:4:189507:224496,CCN1CCN(Cc2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,YZYGUCQJZIGSRB-UHFFFAOYSA-N
-rxn:4:189507:224497,CCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc2)CC1,DMHGQXUPOJVGCP-UHFFFAOYSA-N
-rxn:4:189507:224498,CCN1CCN(Cc2ccccc2-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)CC1,KZXFWDGYZFSNBW-UHFFFAOYSA-N
-rxn:4:189507:224570,CC(c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cc1)N1CCN(C)CC1,QASHIPBJIOLDLX-UHFFFAOYSA-N
-rxn:4:189507:224571,CC(C)N1CCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc2)CC1,WOTQQVCCDVNNAL-UHFFFAOYSA-N
-rxn:4:189507:224584,CC1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,RLDQZVIRAWFZCJ-UHFFFAOYSA-N
-rxn:4:189507:224585,CC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc2)CC1,KWQRXKBEBLXSAL-UHFFFAOYSA-N
-rxn:4:189507:224594,CC(=O)N1CCCCC1c1ccccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,BZQONYGXKWMGNT-UHFFFAOYSA-N
-rxn:4:189507:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,WDUAPBKDFSKKJH-UHFFFAOYSA-N
-rxn:4:189507:224658,CC(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc2)CC1,FPHYYCODVGVKJA-UHFFFAOYSA-N
-rxn:4:189507:224659,CN1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,OALZDHRIHGEXEX-UHFFFAOYSA-N
-rxn:4:189507:224660,CN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc2)CC1,YNLDWUILAVAAII-UHFFFAOYSA-N
-rxn:4:189507:224676,CN1CCN(C(=O)c2ccccc2-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)CC1,XKWSRTFPRKDSJD-UHFFFAOYSA-N
-rxn:4:189507:224684,O=C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)cc2)CC1,DUTHUFXUVJFYAY-UHFFFAOYSA-N
-rxn:4:189507:224685,O=C1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,HJAPGIUFDBBPHE-UHFFFAOYSA-N
-rxn:4:189507:224687,O=C1CCN(Cc2cc(F)cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,KIIUOANPNQGKDV-UHFFFAOYSA-N
-rxn:4:189507:224770,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cc(S(=O)(=O)N2CCCC2)c1,IHGQDIAYLWKQEA-UHFFFAOYSA-N
-rxn:4:189507:224771,Cc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cc1S(=O)(=O)N1CCCC1,LCRUYBKPIBOHIX-UHFFFAOYSA-N
-rxn:4:189507:224811,O=[N+]([O-])c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)ccc1N1CCOCC1,TUWHPLNPBYDMJV-UHFFFAOYSA-N
-rxn:4:189517:224770,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CC(F)(F)C3)c2)cc(S(=O)(=O)N2CCCC2)c1,BGOXJCMLEWOVIF-UHFFFAOYSA-N
-rxn:4:189714:223489,CCc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1-c1cccc(C#N)c1,BMHYQSCRSBECFD-UHFFFAOYSA-N
-rxn:4:189725:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(CC(=O)N2CCC(F)(F)C2)ccc1Cl,QGQBUZGAGAEUHV-UHFFFAOYSA-N
-rxn:4:189725:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(CC(=O)N2CCC(F)(F)C2)ccc1Cl,NGPKIDMWJUUGIH-UHFFFAOYSA-N
-rxn:4:189725:224770,Cc1cc(-c2cc(CC(=O)N3CCC(F)(F)C3)ccc2Cl)cc(S(=O)(=O)N2CCCC2)c1,KEHURRMDEALTBY-UHFFFAOYSA-N
-rxn:4:189733:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(F)(F)F)c(C(=O)N2CCCC2)c1,GRXUNPZJXVSQPH-UHFFFAOYSA-N
-rxn:4:189733:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C(F)(F)F)c(C(=O)N2CCCC2)c1,MBEFASDPMVQBAK-UHFFFAOYSA-N
-rxn:4:189733:224770,Cc1cc(-c2ccc(C(F)(F)F)c(C(=O)N3CCCC3)c2)cc(S(=O)(=O)N2CCCC2)c1,NVUJHHLBDKNVHI-UHFFFAOYSA-N
-rxn:4:189733:224771,Cc1ccc(-c2ccc(C(F)(F)F)c(C(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCCC1,PKWUIIVZSBZTQI-UHFFFAOYSA-N
-rxn:4:189733:224773,Cc1cc(-c2ccc(C(F)(F)F)c(C(=O)N3CCCC3)c2)ccc1S(=O)(=O)N1CCCC1,VPOIAYHEDJYUSD-UHFFFAOYSA-N
-rxn:4:189736:224770,Cc1cc(-c2ccc(F)cc2CC(=O)N2CCC(F)(F)C2)cc(S(=O)(=O)N2CCCC2)c1,JAUQBRIKOXMYCE-UHFFFAOYSA-N
-rxn:4:189836:224251,CC1CCCN(C(=O)c2ccc(-c3ccoc3CN3CCC(C(F)(F)F)CC3)c(F)c2)C1,AOQMWNNLAHYRGL-UHFFFAOYSA-N
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-rxn:4:189866:224584,CC1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)c2)CC1,UUJCFCDZBCFJPX-UHFFFAOYSA-N
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-rxn:4:190165:225189,O=C1CCC(=O)N1Cc1cccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCCC3)c2)c1,FSQWLCLIMPQXGY-UHFFFAOYSA-N
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-rxn:4:190216:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,LLOYQFPFDWFSJB-UHFFFAOYSA-N
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-rxn:4:190498:224796,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1cncc(S(=O)(=O)OCC(C)(C)C)c1,YFNKCBIRNHOKRL-UHFFFAOYSA-N
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-rxn:4:191062:227203,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)OCCCO2,MDCOEWVLDZCNFN-UHFFFAOYSA-N
-rxn:4:191062:227657,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(N2CCOCC2)s1,VKKIBWCSDSNCEQ-UHFFFAOYSA-N
-rxn:4:191063:224285,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4F)cc3O2)C1,WJVCDBWSAGQBCE-UHFFFAOYSA-N
-rxn:4:191072:225462,CC1CCN(c2cccc(-c3cc4c(s3)C3(CCN(C(=O)OC(C)(C)C)CC3)OC4)c2)CC1,LOAFITSKNRUZHI-UHFFFAOYSA-N
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-rxn:4:191088:223072,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1,KPTXWTYPKDRVAB-UHFFFAOYSA-N
-rxn:4:191091:225611,COc1cc(N2CCCC2)ccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2(C)C,FXPGIVUORNJGGV-UHFFFAOYSA-N
-rxn:4:191091:225746,CC(C)(C)OC(=O)c1ncccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2(C)C,MJSFIJGWDTWMKX-UHFFFAOYSA-N
-rxn:4:191097:222866,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(NC(=O)OC(C)(C)C)c3)cc21,UYHFRLRHAIJPHZ-UHFFFAOYSA-N
-rxn:4:191097:226564,COc1cc(OC)c(OC)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,KGIUOHNZXLEUMS-UHFFFAOYSA-N
-rxn:4:191103:226551,CCOc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1OC,BXOZNLSYTQGJEN-UHFFFAOYSA-N
-rxn:4:191103:227593,COc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(OC)cc1Cl,SFKLULRGRILCET-UHFFFAOYSA-N
-rxn:4:191117:226994,CCCOc1ccc(C)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,QHXNSSNINCFHON-UHFFFAOYSA-N
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-rxn:4:191195:228577,CC#Cc1cncc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,RHZFPIFOWITQJC-UHFFFAOYSA-N
-rxn:4:192539:223559,COC(=O)c1cc(C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C)n1,UPSMDMHSPDOHAA-UHFFFAOYSA-N
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-rxn:4:193392:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,GQCAWXVLPDTYNN-UHFFFAOYSA-N
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-rxn:4:193503:224317,Cc1c(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)ccc(S(C)(=O)=O)c1C1=NOCC1,QGDCPIYYHHNUGO-UHFFFAOYSA-N
-rxn:4:193503:224318,Cc1c(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,CCAQUOKMYDXMOE-UHFFFAOYSA-N
-rxn:4:193503:224378,Cc1c(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,YAUNOIXCRKVOFO-UHFFFAOYSA-N
-rxn:4:193503:224400,Cc1c(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,PUNWAPBXFRRTCM-UHFFFAOYSA-N
-rxn:4:193515:224318,Cc1cc(C(=O)N2CCC(F)(F)C2)c(F)c(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1,GMZSAEZNYOKBNL-UHFFFAOYSA-N
-rxn:4:193518:222923,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)NC3CC3)c2)cc1,QJLFMKZBYWZYRU-UHFFFAOYSA-N
-rxn:4:193631:223998,Cc1cc(S(=O)(=O)N2CCC(F)(F)C2)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,YEWZXEIBBQLFFL-UHFFFAOYSA-N
-rxn:4:193632:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCC(F)(F)CC4)cc3)c2)CC1,YNCWOZRHWSPLQE-UHFFFAOYSA-N
-rxn:4:193767:223712,COc1ccc(-c2cc(C)c(C(=O)N3CCCCC3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,PWBHMJSMDVAAOO-UHFFFAOYSA-N
-rxn:4:193775:222788,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)c(F)c1,DGHBWQJASCVKOE-UHFFFAOYSA-N
-rxn:4:193827:224318,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cc2)CC1,BVBBBDKWIAPRMZ-UHFFFAOYSA-N
-rxn:4:193841:224318,CC1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)CC1,JTCLHMMFNXYDKD-UHFFFAOYSA-N
-rxn:4:193853:224162,Cc1ccc(CN2CCC(F)(F)CC2)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1,UOJPNNUNAPZXKZ-UHFFFAOYSA-N
-rxn:4:193867:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cc(C4(N5CCC(=O)CC5)CC4)c3)cn2)CC1,CMIYEVUSIUQEPA-UHFFFAOYSA-N
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-rxn:4:201955:224250,CC1CCCCN1C(=O)c1ccc(F)c(-c2cncc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,YNJNDFQDYFLWDN-UHFFFAOYSA-N
-rxn:4:201961:225098,CCN1CCN(c2cc(-c3ccc(OCCN4CCCC4)nc3)c(C(=O)OC)cc2F)CC1,AVDIXQKAHXPXJD-UHFFFAOYSA-N
-rxn:4:201979:228303,CCN(C)c1ncc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)cn1,CGDJNDNZRLHMMC-UHFFFAOYSA-N
-rxn:4:201995:225639,CC1CCN(c2ncccc2-c2ccnc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1,UMDRSUGHKHTNFD-UHFFFAOYSA-N
-rxn:4:202008:224782,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,ASYAJRMKHYVWEU-UHFFFAOYSA-N
-rxn:4:202008:225212,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(N2CCN(C)CC2)c1,MGZXWDBCKPRUPY-UHFFFAOYSA-N
-rxn:4:202020:224977,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2ccc(N3CCCCC3)c(C#N)c2)C1,CKVCKEMSWKIOKO-UHFFFAOYSA-N
-rxn:4:202062:225507,CCOC(=O)C1CCC(n2nc(C)c(-c3ccc4c(c3)CCC4C(=O)OC)c2C)CC1,GLCQCLQLQJNINW-UHFFFAOYSA-N
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-rxn:4:202677:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccnc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)C1,ZUXBCUQGYAFEBT-UHFFFAOYSA-N
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-rxn:4:202702:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1ccc2oc(=O)c(C(=O)N3CCN(Cc4ccccc4)CC3)cc2c1,FXWDGHIQURDLNI-UHFFFAOYSA-N
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-rxn:4:202729:222671,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(C(=O)Nc4cccc(Cl)c4)cc3)ccc21,QPBMZWDEAAKEBK-UHFFFAOYSA-N
-rxn:4:202731:222702,CC1Oc2ccccc2OC1C(=O)N1CCC(Oc2ncccc2-c2cc(C3CCCNC3)ccc2C(F)(F)F)CC1,FLPPSWYZWXRCCA-UHFFFAOYSA-N
-rxn:4:202742:222624,Cc1cc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)c(C)cc1-c1cc(CC(C)C)nc(C2CCNCC2)c1,KYQPDICBQGVAQR-UHFFFAOYSA-N
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-rxn:4:202807:224179,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCN(C)CC3)cc2)cc1,OXBGKEYMTJETTK-UHFFFAOYSA-N
-rxn:4:203229:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cc([N+](=O)[O-])cnc2Oc2ccc(Cl)cc2)CC1,VISGOVYYNXEBAH-UHFFFAOYSA-N
-rxn:4:203629:223712,COc1ccc(-c2nc(OC(C)(C)C)cc(C3CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,OTXZXYDHVUWBNH-UHFFFAOYSA-N
-rxn:4:203630:223602,CCCc1nc(N2CCOCC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,NFULTZUAPBHCNN-UHFFFAOYSA-N
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-rxn:4:203684:222723,COc1c(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cncc1S(=O)(=O)N1CCOCC1,STMQLJMIGRYLSR-UHFFFAOYSA-N
-rxn:4:203708:225294,CCN1CCN(c2ncc(-c3ccccc3C(=O)N3CC(N4C(=O)COC4=O)C3)cn2)CC1,MFXKEDPDYACXPK-UHFFFAOYSA-N
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-rxn:4:203760:224834,CN(C)S(=O)(=O)n1cc(-c2cc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])cc2F)c(C(F)(F)F)n1,BSMFIZIZMMLCCZ-UHFFFAOYSA-N
-rxn:4:203825:225313,CN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3)c(F)n2)CC1,DFXMPTRNMSZCBJ-UHFFFAOYSA-N
-rxn:4:203880:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccc(CC2CCCN(S(C)(=O)=O)C2)n1,FFOUDUAYXBDWLY-UHFFFAOYSA-N
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-rxn:4:203940:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1N1CCN(S(=O)(=O)C2CC2)CC1,TYHFEODGLKIOOM-UHFFFAOYSA-N
-rxn:4:203942:224652,COc1cc(OC)c(-c2ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c2)cc1C=C1C(=O)N(C)C(=S)N1C,IXEBWWMOPYNUFP-UHFFFAOYSA-N
-rxn:4:203949:222675,COc1cc(-c2cnn(C[C@H]3CC[C@H](C(C)C)CC3)c2)ccc1NC(=O)OC(C)(C)C,PLJXTWVYMCYPEK-WGSAOQKQSA-N
-rxn:4:203976:226366,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2Cl)CC1,JUKSPOBFTOOBIZ-UHFFFAOYSA-N
-rxn:4:204000:222466,CCN1CCN(Cc2cc(C)cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,ITWQASUQXJAOMM-UHFFFAOYSA-N
-rxn:4:204010:222723,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,WEBAQLDIGXFDOA-UHFFFAOYSA-N
-rxn:4:204026:224867,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(OCC3CCCCC3)cc2)CC1,NDBSETZGMWGNQO-UHFFFAOYSA-N
-rxn:4:204033:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCCC3)C2)c1,XAUABXUQWXCABD-UHFFFAOYSA-N
-rxn:4:204033:225367,O=C(c1cc(-c2cnc(N3CCC(F)(F)CC3)nc2)ccc1Cl)N1CCC(N2CCCC2)C1,LSQORDPEHSQVPD-UHFFFAOYSA-N
-rxn:4:204046:225234,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCCCC3)c(F)c2F)CC1,DKJLNBIRGAFJCO-UHFFFAOYSA-N
-rxn:4:204055:224751,O=C(c1ccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)o1)N1CCCN(C2CCSC2)CC1,KIOURECWZHCOLW-UHFFFAOYSA-N
-rxn:4:204096:223712,COc1ccc(-c2cccc(C(C)N3CCN(C(C)C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,LWBANVMOAJDUAZ-UHFFFAOYSA-N
-rxn:4:204114:223975,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c2nc(Cl)ccc21,CFSHPRIJYAISDZ-UHFFFAOYSA-N
-rxn:4:204116:226236,CCCCOc1ncc(C)cc1-c1cccc(C(=O)N2CCCN(C3CCOC3)CC2)c1,GCTCFHCXBKFWQO-UHFFFAOYSA-N
-rxn:4:204118:222512,O=C(Nc1ccccc1)c1cc(-c2ccccc2C(=O)N2CCCN(C3CCSC3)CC2)cc([N+](=O)[O-])c1,JMJCWVXAPIFXBE-UHFFFAOYSA-N
-rxn:4:204153:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3C)c2)CC1,RZAZATKKJMITLF-UHFFFAOYSA-N
-rxn:4:204158:225312,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCN(C)CC5)nc4)cc3Cl)CC2)cc1,MMFGJTXOFHULJD-UHFFFAOYSA-N
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-rxn:4:204350:223598,COCn1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1C12COCC1O2,LHIIYQPZOSKANG-UHFFFAOYSA-N
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-rxn:4:206903:223809,CN1CCN(Cc2ccc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc2)CC1,RTCYGILZBPULKQ-UHFFFAOYSA-N
-rxn:4:206943:224328,Cc1nc(C2CCN(S(C)(=O)=O)CC2)sc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,RPKPVIZYQCXVLV-UHFFFAOYSA-N
-rxn:4:206944:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cn1,SJUCACPGDVDDMT-UHFFFAOYSA-N
-rxn:4:206948:224316,CC1CCN(S(=O)(=O)c2cccc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)n2)CC1,LULGEJIHOHUEHU-UHFFFAOYSA-N
-rxn:4:206957:224316,CC1CCN(S(=O)(=O)c2cncc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)c2)CC1,WKTUIPDQFHWWNP-UHFFFAOYSA-N
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-rxn:4:206958:224318,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,PLSUBDRREZSNRE-UHFFFAOYSA-N
-rxn:4:206959:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(N2CCN(S(C)(=O)=O)CC2)c1,IGSNOTSWDGIPJC-UHFFFAOYSA-N
-rxn:4:206961:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCCC(C)C2)c1,RTPNEJCSLMGTDC-UHFFFAOYSA-N
-rxn:4:206980:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,IQPUPHCEAOXFCM-UHFFFAOYSA-N
-rxn:4:207060:224575,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(C)CC4)cc3)c(C#N)c2)CC1,CSIUUYLTYMDPDQ-UHFFFAOYSA-N
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-rxn:4:207072:222537,CN1CCN(c2cc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)ccc2C2CC2)CC1,QJFTXCLIUMCKHD-UHFFFAOYSA-N
-rxn:4:207081:222546,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c1)C2,BEXOYOKZVPMXSX-UHFFFAOYSA-N
-rxn:4:207377:223521,COc1ncc2c(C(C)=O)c[nH]c2c1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SEJINARXKOWKRJ-UHFFFAOYSA-N
-rxn:4:207790:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4c(CN5CCCCCC5)c[nH]c4c3)c(F)cn2)CC1,STLURAPGXIUKRT-UHFFFAOYSA-N
-rxn:4:207832:222892,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(N5CCNCC5)cc4OC)cc3)C2=O)c2ccccc21,MDMKDJPGFVHBLK-UHFFFAOYSA-N
-rxn:4:207856:225544,COc1ccc(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)cc1OCC(C)C,UHADJZXUBKXJBJ-UHFFFAOYSA-N
-rxn:4:207959:226428,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(N5CCCCC5C)cs4)ccc2OC3C2CCCCC2)cc1,ZBJGMPUUUSMBHL-UHFFFAOYSA-N
-rxn:4:207959:226432,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCC5)nc4F)ccc2OC3C2CCCCC2)cc1,KEKRNKFCLFNBSI-UHFFFAOYSA-N
-rxn:4:207965:224281,COc1ccc(C2=NN3C(C2)c2cc(-c4cc5c(OC)cc(OC)cc5nc4OC)ccc2OC32CCC(C)CC2)cc1,HEBCTHUCRVZVBW-UHFFFAOYSA-N
-rxn:4:209812:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnn(C4CCS(=O)(=O)CC4)c3C)c2)CC1,BONMZQWDLCGZJB-UHFFFAOYSA-N
-rxn:4:211101:223120,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(=O)NC5CC5)c4)ccc2OC32CCC(C)CC2)cc1,SIPREMFUEBWRQX-UHFFFAOYSA-N
-rxn:4:212381:223521,CC(c1cccc(-c2cnc3n2CCCCC3)c1)N1CCN(C(=O)OC(C)(C)C)CC1,FZJZKVJIWUKQFZ-UHFFFAOYSA-N
-rxn:4:212492:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)CCc1cccnc1C2=C1CCN(C)CC1,GJZJJHSSRNEZSM-UHFFFAOYSA-N
-rxn:4:212492:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc2c(c1)CCc1cccnc1C2=C1CCN(C)CC1,NSIRYLYVNMZXBX-UHFFFAOYSA-N
-rxn:4:212492:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)CCc1cccnc1C2=C1CCN(C)CC1,HZTSZIVIWMIPRE-UHFFFAOYSA-N
-rxn:4:212492:224326,Cc1cc(-c2ccc3c(c2)CCc2cccnc2C3=C2CCN(C)CC2)ccc1S(=O)(=O)N1CCCCC1,ZCLAAMQIMWFZPB-UHFFFAOYSA-N
-rxn:4:212587:224325,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)cc1,AIYZCZWQQAANFF-UHFFFAOYSA-N
-rxn:4:212608:223072,CCCNS(=O)(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)C(C)(C)OC(C)=O)C3)nc2)cc1,UGQJHLHJESITFW-UHFFFAOYSA-N
-rxn:4:212614:224374,COC(=O)c1cn(Cc2cccc(-c3cc(S(=O)(=O)N4CCCC4)ccc3OC)c2)nc1S(=O)(=O)N1CCCC1,UENQDZZLSMQVPA-UHFFFAOYSA-N
-rxn:4:212620:222773,O=C(NC1CCOCC1)c1ccc(-c2cc(F)ccc2CC(=O)N2CCC(COc3ncccn3)CC2)cc1,FZEZXNYQEYKXAS-UHFFFAOYSA-N
-rxn:4:212621:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(C(=O)Cc5ccc(F)cc5)CC4)nc3)ccc2OC)CC1,SLHDFVIMNDFMEY-UHFFFAOYSA-N
-rxn:4:212630:223084,O=C(c1cncc(-c2cnc(N3CCC(O)CC3)nc2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,JWCUPSHXOLTIBJ-UHFFFAOYSA-N
-rxn:4:212634:225748,Cn1cc(-c2ccncc2OCC2CCCO2)c(CN(C(=O)OC(C)(C)C)C2CCCC2)n1,IGHGGDILXMPYMM-UHFFFAOYSA-N
-rxn:4:212634:227690,COc1cc([N+](=O)[O-])ccc1-c1cn(C)nc1CN(C(=O)OC(C)(C)C)C1CCCC1,RGHOCNFJSDMWEG-UHFFFAOYSA-N
-rxn:4:212637:223135,CN(C(=O)c1ccc(-c2cccnc2C2CCCNC2)nc1)C1CCN(C(=O)OC(C)(C)C)C1,JHGYVBGASZRSRW-UHFFFAOYSA-N
-rxn:4:212649:226112,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCC4CC4)cc3C)cn2)C1,LVWJNWQVUOSIGQ-UHFFFAOYSA-N
-rxn:4:212650:225898,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,QKKDMTZQARGQCD-UHFFFAOYSA-N
-rxn:4:212680:225984,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cnc(Cl)c(N4CCOCC4)c3)CC2)nn1,MPWWVAXXGFLVNB-UHFFFAOYSA-N
-rxn:4:212682:223811,O=C(CSc1ncc(-c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)n1-c1cccc(Cl)c1)N1CCCC1,CUTMAGPVPPEIRH-UHFFFAOYSA-N
-rxn:4:212693:224289,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2F)c1,JHYDFIQWZVTZRD-UHFFFAOYSA-N
-rxn:4:212711:223185,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4cnc(C5CNCCO5)nc4)o3)CC2)nn1,QFHDLNYWKRGDMD-UHFFFAOYSA-N
-rxn:4:212721:226659,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCCC4)c(Cl)c3)n2)CC1,ZFEDPJNXKXFUTI-UHFFFAOYSA-N
-rxn:4:212738:222853,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCC(O)CC4)cc3)cc2N2CCOCC2)CC1,PIQAFILPYURRBF-UHFFFAOYSA-N
-rxn:4:212751:227167,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(F)c4cccnc34)c2)CCN1C(=O)OC(C)(C)C,SRMKNRIBAPUBIP-UHFFFAOYSA-N
-rxn:4:212839:223057,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(Cl)nc(C5CCCNC5)c4)ccn23)CC1,HKXZBDZTAKJAGT-UHFFFAOYSA-N
-rxn:4:212839:223058,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)nc(C5CCCNC5)c4)ccn23)CC1,XWODOANEPFENKA-UHFFFAOYSA-N
-rxn:4:212839:226664,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(N5CCCC5)ncc4F)ccn23)CC1,ISKJGXXLYPGKRP-UHFFFAOYSA-N
-rxn:4:212888:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(CN(C)C(=O)OC(C)(C)C)nc2)c1,YAYWJTOWSAKCLV-UHFFFAOYSA-N
-rxn:4:212909:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OCC2CCCN(CC(F)(F)F)C2)nc1,FWMMZKKQPIMDIB-UHFFFAOYSA-N
-rxn:4:212923:223101,CNS(=O)(=O)c1cc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)ccc1OC,UTKNQOVYMGKILO-UHFFFAOYSA-N
-rxn:4:212986:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cn(C)nc1CN1CCC(C(=O)OCC)CC1,ZMOKRUVIERKELH-UHFFFAOYSA-N
-rxn:4:213007:223951,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cn3)C2)cc1F,NCNKAOAUGYIIFT-UHFFFAOYSA-N
-rxn:4:213010:226004,COc1cc(OC(F)(F)F)cc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)c1,YIHTVIKTGXNGFF-SFHVURJKSA-N
-rxn:4:213031:222916,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)C1,BFMCBKADSRVRSP-UHFFFAOYSA-N
-rxn:4:213053:227249,CCCOc1ccc(Cl)c(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,LXNDZCYLSGELCX-UHFFFAOYSA-N
-rxn:4:213066:225718,COC(COc1cccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)c1)OC,SSFRRABBISZEDI-UHFFFAOYSA-N
-rxn:4:213066:227181,O=C(c1ccc(-c2cccc3cc(Cl)ncc23)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,GLOKURDOSMNEER-UHFFFAOYSA-N
-rxn:4:213124:222588,CC(C)CN(c1ncc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)cc1[N+](=O)[O-])C1CCCCC1,SXYIFEIXRZQGKF-UHFFFAOYSA-N
-rxn:4:213131:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,DYDXBDKOWNLJRE-UHFFFAOYSA-N
-rxn:4:213131:225898,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,ORNVGBVOBJWTST-UHFFFAOYSA-N
-rxn:4:213132:222991,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCCC(O)C4)cc3)cn2)C1,AEYRMCUUKYYXIF-UHFFFAOYSA-N
-rxn:4:213133:226844,O=C(c1cc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccn1)C(F)(F)F,NXFWWDLLWMDZLY-UHFFFAOYSA-N
-rxn:4:213145:225114,Cn1c(-c2ccc(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)cc2)cnc1SCC(=O)N1CCCCC1,BJYZZVZUIDEURZ-UHFFFAOYSA-N
-rxn:4:213165:223064,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C2CCNCC2)nc1F,QIRPUUGWIDJMEX-UHFFFAOYSA-N
-rxn:4:213178:224254,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)cn3)C2)c(C)o1,JTPJBQAUVLWDQO-UHFFFAOYSA-N
-rxn:4:213192:228230,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CC4)c(Cl)c3)n2)CC1,LDFQYWMRNQQOHF-UHFFFAOYSA-N
-rxn:4:213192:228362,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)nc3C3CC3)n2)CC1,GYXHLCBZWXKEIL-UHFFFAOYSA-N
-rxn:4:213192:228863,COCCn1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,BTUIITFOOBZSSL-UHFFFAOYSA-N
-rxn:4:213202:224391,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3C)CC2)nn1,JLRRMJWHPARSSL-UHFFFAOYSA-N
-rxn:4:213214:225794,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(OC4CCCCC4)nc3)n2)CC1,DJIRXEXAJCZYOJ-UHFFFAOYSA-N
-rxn:4:213216:226994,CCCOc1ccc(C)cc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,UFJUVIFLFQGJGH-UHFFFAOYSA-N
-rxn:4:213219:222848,CCc1cc(-c2ccc(N3CCN(CC)CC3)nc2C(=O)OC(C)(C)C)cc(C2CCCNC2)n1,FIIDPELIAYOHBV-UHFFFAOYSA-N
-rxn:4:213220:224578,CC1CN(c2ccc(-c3cc(-c4cnccn4)cc(C4CC4)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,ZCIGRPGICNKTHA-UHFFFAOYSA-N
-rxn:4:213268:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)c(C)c1,DPUJWNMRHYRZJX-SIBVEZHUSA-N
-rxn:4:213268:225228,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,VMTFKPDYDGCBHF-DCFHFQCYSA-N
-rxn:4:213272:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc1,MPSAJWWRKWWDKI-UHFFFAOYSA-N
-rxn:4:213281:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2)CC1,HMSYZVVFTWIOBY-UHFFFAOYSA-N
-rxn:4:213281:224949,COc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1CN1CCCC1,NYSIFMSOMBSFMW-UHFFFAOYSA-N
-rxn:4:213290:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)C5(c6ccccc6)CCOCC5)C4)nc3)c(Cl)c2)CC1,PTKGYXHRBSGQAU-UHFFFAOYSA-N
-rxn:4:213414:227093,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(-c3cccnc3C3CCCC3)ccc2[nH]1,ORNMAUKDNHFZCV-UHFFFAOYSA-N
-rxn:4:213472:224573,CC1CCCCN1c1ccc(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C#N)c1,ACKYZAOCBFYYSZ-UHFFFAOYSA-N
-rxn:4:213480:224312,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)N5CCN(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RWMUHGYZZVGWRN-NXEFQXHYSA-N
-rxn:4:213480:224329,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LGBYAASXUYBFSJ-KIESAQMKSA-N
-rxn:4:213480:226148,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C#C[Si](C)(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RAZMHBULBGSRCE-UHDFPJTPSA-N
-rxn:4:213480:226661,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(N5CCN(C)CC5)cs4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HFYVSYPJPYUFON-MDCBZVBUSA-N
-rxn:4:213629:223775,COc1ccc2c(c1)c(-c1ccnn1C1CN(C(=O)OC(C)(C)C)C1)cn2C(=O)OC(C)(C)C,RTESDRYGWQDHPM-UHFFFAOYSA-N
-rxn:4:213655:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CC4CN(CC5CCC5)C4)c3)ccc2F)CC1,ZXSRUIVNWRHEQW-UHFFFAOYSA-N
-rxn:4:213659:222546,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,OZGHPQLXEBBHES-UHFFFAOYSA-N
-rxn:4:213673:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnn(CC4CN(Cc5ccc(F)c(F)c5)C4)c3)c2)C1,QQCYCAHDPLWOJH-UHFFFAOYSA-N
-rxn:4:213709:223696,O=C(c1ccncc1F)N1CCC(Oc2ccncc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1,BVIQIXOLWKXJJQ-UHFFFAOYSA-N
-rxn:4:213713:224755,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cc(C(=O)N3CCOCC3)ccc2F)[nH]1,MGLCTRJWTZWSTM-IBGZPJMESA-N
-rxn:4:213753:223712,COc1ccc(-c2cnn(CC3CN(CC4CCCC4)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,DOCVVBZXTHYGOL-UHFFFAOYSA-N
-rxn:4:213758:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(CCC2CCCCN2S(C)(=O)=O)cn1,NNVKLEMMHBTMAI-UHFFFAOYSA-N
-rxn:4:213758:224571,CC(C)N1CCN(c2ccc(-c3cnc(CCC4CCCCN4S(C)(=O)=O)cn3)cc2)CC1,RATUUNMNNPKJNZ-UHFFFAOYSA-N
-rxn:4:213783:222426,CN(C(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cc1)C1CN(c2ccccn2)C1,SQHPJHWHPORYLF-UHFFFAOYSA-N
-rxn:4:213797:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(CC(C)C)CC3)nc2)cc1,IYEXLVXXWRWMTH-UHFFFAOYSA-N
-rxn:4:213800:224759,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)ncn1,ACZGJJGGOOTELW-UHFFFAOYSA-N
-rxn:4:213800:225943,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(C(=O)N3CCOCC3)s2)ncn1,UIIBAARCTBCSSA-UHFFFAOYSA-N
-rxn:4:213822:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCC(Oc5ccnc(C)n5)C4)c3)c2)CC1,JGCOSOQHKCWIPU-UHFFFAOYSA-N
-rxn:4:213830:224656,COc1ccc(-c2cnn(CC3CCN(CC(C)C)CC3)c2)c(F)c1OC1CCCC1,AIHFMZNVSKVITG-UHFFFAOYSA-N
-rxn:4:213876:222916,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C(=O)NC4=NCCS4)c3)nc2)CC1,YUDOMACYVDNOPD-UHFFFAOYSA-N
-rxn:4:213972:227275,CCCOc1c(F)cccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,XYQACHURQKTTKO-UHFFFAOYSA-N
-rxn:4:213979:224867,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(OCC3CCCCC3)cc2)nn1,YDQFLECXRZAQQO-UHFFFAOYSA-N
-rxn:4:213981:226302,CCOC(=O)c1ccc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c(C)c1,ZGQWNJSAIFZCGO-UHFFFAOYSA-N
-rxn:4:213990:223992,Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1S(=O)(=O)N1CCN(C)CC1,XYORRNBAGSWJKG-UHFFFAOYSA-N
-rxn:4:214013:225123,COc1cc(N2CCN(C(=O)c3cccc(-c4ccncc4OCC4CCCCO4)c3C)CC2=O)ccn1,DYSJJOYLCQTAEL-UHFFFAOYSA-N
-rxn:4:214015:225192,N#CC1CCN(Cc2ccc(-c3cc(OC4CCCCC4)ncc3F)cc2N2CCOCC2)CC1,GOJISZUCKIDTKS-UHFFFAOYSA-N
-rxn:4:214027:228314,CCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1Cl,HLVWIISQVHIFGP-UHFFFAOYSA-N
-rxn:4:214029:229151,N#Cc1cnc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cn1,YOISRQKWWCRNGF-UHFFFAOYSA-N
-rxn:4:214033:223075,CC(C)[C@H]1COC(c2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ZHSIJCOFXCUBRI-DNQXCXABSA-N
-rxn:4:214051:222546,CC(C)c1sc(-c2ccc(OCCNC3CCCCC3)c(F)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,JVNONDNELLUOAG-UHFFFAOYSA-N
-rxn:4:214059:227587,COc1cc(-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)cc(F)c1OC,DSJLVSYFVAIORY-UHFFFAOYSA-N
-rxn:4:214060:222740,CC(C)c1cc(-c2cncc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c2)cc(C2CCCNC2)n1,NFXWTRTXDBZTMP-UHFFFAOYSA-N
-rxn:4:214064:228562,CCC(C)c1csc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)c1,JWNLWCPUBYKKBL-UHFFFAOYSA-N
-rxn:4:214079:223280,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCNC4)nc3)cc2N2CCCC2)CC1,GFMKWDAYOVFYTI-UHFFFAOYSA-N
-rxn:4:214079:226844,CC(C)N1CCN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CC1,LGTXDSMDEFNRRX-UHFFFAOYSA-N
-rxn:4:214145:225563,CC(C)(C)OCc1ccc(F)cc1-c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2,RIUJBNHPDMZIBM-UHFFFAOYSA-N
-rxn:4:214320:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2ncn(C3CCCN(C(=O)OC(C)(C)C)CC3)c2c1)C(C)C,ZYNUDUHBPNQOGW-UHFFFAOYSA-N
-rxn:4:214323:222885,O=C(NC1CCOC1)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)cc1,FXTXGFZSJKNOIK-UHFFFAOYSA-N
-rxn:4:214330:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3noc(CN4C(=O)COc5ccc(C(C)(C)C)cc54)n3)cc2)c1,RSTZQXNGNIIGJW-UHFFFAOYSA-N
-rxn:4:214369:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C3C(C#N)=C(N=CN(C)C)Oc4c3ccc3ccccc43)cc2)cc1)C(C)C,WSDRLMYYBDPIGR-UHFFFAOYSA-N
-rxn:4:214379:223243,COc1cc2cn[nH]c2cc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)o1,FSQRGFKPAIXIEK-UHFFFAOYSA-N
-rxn:4:214379:223560,COC(=O)c1cc(-c2ccc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc6c7c(c5)CCN7C(=O)CC6)CC4)o3)cc2)nc2ccccc12,FQYFLDUMRONBBP-UHFFFAOYSA-N
-rxn:4:214389:225166,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)cc12,VBMLTDLCBSARSN-UHFFFAOYSA-N
-rxn:4:214681:222729,CCCc1cc(-c2cn(C)nc2CN2CCCCC2C(F)(F)F)cc(C2CCCNC2)n1,NBMBNORUOAVARU-UHFFFAOYSA-N
-rxn:4:214684:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cc(C(=O)N2CCN(C)CC2)cc([N+](=O)[O-])c1,CTYIXLJQKUJQBX-UHFFFAOYSA-N
-rxn:4:214711:224810,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cn2)CC1,CAMCEZHVPJAEBY-UHFFFAOYSA-N
-rxn:4:214766:222845,CC(c1ccc(-c2ccc(N3CCC(N(C)C)CC3)c([N+](=O)[O-])c2)cc1)N1CCNCC1,WCEAUFMJRQYAOC-UHFFFAOYSA-N
-rxn:4:214772:224965,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cccc(OCC4CCOCC4)c3)cn2)CC1,SGVDJINQBJGHLQ-UHFFFAOYSA-N
-rxn:4:214802:225976,O=C(C1CN(c2ncccc2-c2ccnc(N3CCOCC3)c2F)CCO1)N1CCCC1,YUUQKSUBACWKCF-UHFFFAOYSA-N
-rxn:4:214806:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnccc3N3CCN(Cc4ccccc4)CC3)c2)CC1,UCDHWRAXTUTULV-UHFFFAOYSA-N
-rxn:4:214837:227218,O=C(C1CN(c2ncc(-c3ccccc3OCCCF)cc2Cl)CCO1)N1CCSCC1,BFONCUPYUVDBBV-UHFFFAOYSA-N
-rxn:4:214838:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1F,DTGISMHSDQYLQZ-UHFFFAOYSA-N
-rxn:4:214839:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,MWUQFMRNXMRJIY-UHFFFAOYSA-N
-rxn:4:214839:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1OCC,YJJWANVPGPAWIA-UHFFFAOYSA-N
-rxn:4:214839:226320,N#CC1(c2ccc(F)c(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c2)CC1,QPMYWBIVSKAKPJ-UHFFFAOYSA-N
-rxn:4:214850:224371,COC(=O)C1CCN(c2ncc(-c3cnc(CC4CCCN(C(C)C)CC4)cn3)cn2)CC1,AHHBDGFFYRPMIG-UHFFFAOYSA-N
-rxn:4:214854:225165,COc1cc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)ccc1N1CCOCC1,QLYYCJVPUIOYPA-UHFFFAOYSA-N
-rxn:4:214867:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,FGBVBQPAVDULQE-UHFFFAOYSA-N
-rxn:4:214870:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,DQTFMRRZWXNIQS-UHFFFAOYSA-N
-rxn:4:214880:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,JFPHXQIXSQNAOB-UHFFFAOYSA-N
-rxn:4:215119:223588,Cc1cc(-c2ccc(Cl)c(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KCPVBAYYQDVHIK-UHFFFAOYSA-N
-rxn:4:215184:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,QFGNLUQHTKWXIW-UHFFFAOYSA-N
-rxn:4:215285:223142,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccc(C4CCCNC4)nc3)cc2)cc1,WUDQMORGJRPIBF-UHFFFAOYSA-N
-rxn:4:215288:222977,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4cc(C(=O)NC5CC5)ccc4C)cc2)C1=O)C3,UCVFAISKCFGKLA-UHFFFAOYSA-N
-rxn:4:215309:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)cn1,QBJGXLCSDRXDKL-IBGZPJMESA-N
-rxn:4:215680:223602,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cnc1N=CN(C)C,PJMIUYBIDAXNHN-UHFFFAOYSA-N
-rxn:4:215780:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)c2)CC1,OXHKHPUQMJJPRE-UHFFFAOYSA-N
-rxn:4:215780:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)cc2)CC1,XGVUBWHAOSOGBY-UHFFFAOYSA-N
-rxn:4:215780:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)cc2)CC1,CGUMUIWAZKFOIA-UHFFFAOYSA-N
-rxn:4:215786:222465,FCC1CCCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)C1,UOSAJMHUNOEDQL-UHFFFAOYSA-N
-rxn:4:215788:222602,CC(C)Cc1cc(-c2cnc(N3CCCCC3)c([N+](=O)[O-])c2)c(S(=O)(=O)NC(C)(C)C)s1,VMODIXOYBJCDCW-UHFFFAOYSA-N
-rxn:4:215805:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc([N+](=O)[O-])cc(N4CCC(F)(F)CC4)n3)cn2)CC1,OKLXUNRFRSIABN-UHFFFAOYSA-N
-rxn:4:215857:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C#N)c(N4CCN(C)CC4)c3)c2)CC1,XEVKCUBJTBDHCS-UHFFFAOYSA-N
-rxn:4:215859:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCN(C)CC4)c(C#N)c3)c2)CC1,XNXIEEAAFRYKTH-UHFFFAOYSA-N
-rxn:4:215860:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C#N)cc(N4CCN(C)CC4)c3)c2)CC1,STMKLCYGZWHKEW-UHFFFAOYSA-N
-rxn:4:215884:223951,CN1CCN(CCOc2ccc(-c3cnc(F)c(CN4CCN(C)CC4)c3)cc2F)CC1,GNODFKKRUKPFRX-UHFFFAOYSA-N
-rxn:4:215889:224244,CC1CCN(C(=O)c2cc(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)ccc2Cl)CC1,XTBGRHSICHFVCX-UHFFFAOYSA-N
-rxn:4:215904:222432,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,PPTYNVGROYRLPG-UHFFFAOYSA-N
-rxn:4:215906:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C)CC2)c1,LBFQHDBMONAQNN-UHFFFAOYSA-N
-rxn:4:215909:224660,CN1CCN(C(=O)c2ccc(-c3cc([N+](=O)[O-])c(N4CCN(C)CC4)cc3F)cc2)CC1,PFIMTMDGFFRUPD-UHFFFAOYSA-N
-rxn:4:215912:224667,CN1CCN(Cc2cc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)ccc2Cl)CC1,DTPVTXMYMQWPMJ-UHFFFAOYSA-N
-rxn:4:215943:223993,Cc1cc(-c2ccnc(N3CCC(N(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GSDUQFABMRCWHA-UHFFFAOYSA-N
-rxn:4:215945:222584,CN(C)C1CCN(c2ccnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,JAOHFKJUISGQGB-UHFFFAOYSA-N
-rxn:4:215953:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2)CC1,WLGUKTUUMZCJJB-UHFFFAOYSA-N
-rxn:4:216245:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc3c(c2)N(C(=O)C(C)(C)C)CCN3C)c1,UMZGMUFBNKPJPM-UHFFFAOYSA-N
-rxn:4:217156:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(C)C(=O)C3)n2)CC1,YYQLMQVFPCOMTE-UHFFFAOYSA-N
-rxn:4:217857:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnn(C)c3C34CCN(C)CC3O4)cc2)CC1,OUDZSYZNDSCHQJ-UHFFFAOYSA-N
-rxn:4:217889:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)C1,YGQKTRCZHYJQBW-UHFFFAOYSA-N
-rxn:4:218587:222694,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)CC2)cc1,PRMKRMIKFNHYJH-UHFFFAOYSA-N
-rxn:4:218589:224865,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(CCN5CCCCC5)cc4)cn3)C2)cc1,PWFFJVAQLHAQMB-UHFFFAOYSA-N
-rxn:4:218606:222614,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)cn2)C1,INBUVRGCQBQFDB-UHFFFAOYSA-N
-rxn:4:218631:226665,O=C1C(N2CCC(COc3ncc(-c4cnc(C5CCCOC5)nc4)cn3)CC2)CCN1CC(F)(F)F,SCRIEEUKIVSDMF-UHFFFAOYSA-N
-rxn:4:218656:226113,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)CC(C)C)cc3)cn2)C1,FHARPKOCGIYYBD-UHFFFAOYSA-N
-rxn:4:218730:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)CSc4nc5ccccc5o4)C3)nc2)cc1,LSVMKERIPHYKFX-UHFFFAOYSA-N
-rxn:4:218745:225159,O=C(Cn1c(=O)oc2ccccc21)N1CCCC(COc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cn2)C1,GYQOHPOYWQCUHR-UHFFFAOYSA-N
-rxn:4:218768:225975,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccnc(N2CCOCC2)c1Cl,GMIWRNYNJANCBV-UHFFFAOYSA-N
-rxn:4:218867:225009,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)cnc3OC3CCCCC3)c2)no1,HQAGFOYAPNESOQ-UHFFFAOYSA-N
-rxn:4:218867:226197,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4CCCOC4)cc3)c2)no1,AMNSHASEDCBFOZ-UHFFFAOYSA-N
-rxn:4:218868:227403,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCC4)s3)cc2)no1,JUZYVEYUFAYQQU-UHFFFAOYSA-N
-rxn:4:218886:223787,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,WRJMTWUYUHGVRF-UHFFFAOYSA-N
-rxn:4:218897:224360,COC(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccncc4F)C3)nc2)n1C(=O)OC(C)(C)C,NVZMZIQUHWFRPQ-UHFFFAOYSA-N
-rxn:4:218907:223482,O=S(=O)(c1cc(-c2cnc(OCC3CCN(Cc4ccccn4)CC3)nc2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,OPOOKWXLUFDVSZ-UHFFFAOYSA-N
-rxn:4:218910:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCCN(Cc4cccnc4)C3)nc2)c1,CNZVCSORVUPUFT-UHFFFAOYSA-N
-rxn:4:218914:223812,Cc1nc(CN2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)cs1,CMBGTUOVGLJWLR-UHFFFAOYSA-N
-rxn:4:218915:223602,Cc1nc(CN2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)cs1,XSUMNHDKYDPLEZ-UHFFFAOYSA-N
-rxn:4:218921:225340,CCOc1cc(-c2ccccc2CCC(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)ccc1OC(F)(F)F,PHMPRNMWAZNLIH-UHFFFAOYSA-N
-rxn:4:218992:226236,CCCCOc1ncc(C)cc1-c1cnn(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,HZYJVOIULDNHII-UHFFFAOYSA-N
-rxn:4:218994:223595,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)s1,DXOXKRPRFXQNHW-UHFFFAOYSA-N
-rxn:4:219051:223095,CC(=O)Nc1cccc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1[N+](=O)[O-],WICUSRHZEBGKFS-UHFFFAOYSA-N
-rxn:4:219053:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)cc1,LRMUNTUWIRFFQK-UHFFFAOYSA-N
-rxn:4:219053:225172,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(CN5CCOCC5)ccc4F)c3)cn2)CC1,BVOMXUDGBJRIIJ-UHFFFAOYSA-N
-rxn:4:219053:225980,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(N5CCOCC5)ncc4F)c3)cn2)CC1,SQIPNWKOCZTUDY-UHFFFAOYSA-N
-rxn:4:219053:225984,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(Cl)c(N5CCOCC5)c4)c3)cn2)CC1,YPEQLRVDUHFWHM-UHFFFAOYSA-N
-rxn:4:219062:225231,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cnc(Cl)c(N3CCCCC3C)c2)C1,CNDILUKYJMZJCZ-UHFFFAOYSA-N
-rxn:4:219066:227207,O=C1CCOc2c1cccc2-c1cnc(OC2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)nc1,QPBDGVMEGQTUKT-UHFFFAOYSA-N
-rxn:4:219119:222724,CC(=O)C(C)n1c(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,GCDJJYBWMHFAOH-UHFFFAOYSA-N
-rxn:4:219120:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,VPYYIHQIRWPKDS-UHFFFAOYSA-N
-rxn:4:219292:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OC4CCN(C(=O)c5ccccn5)C4)nc3)cn2)CC1,RSFMYMPFMMJETI-UHFFFAOYSA-N
-rxn:4:219294:223812,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cs1,OVKQNLBDIQDREA-UHFFFAOYSA-N
-rxn:4:219338:222466,CN(C)C(=O)N1CCC(Oc2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,OSXAILUTKTUCLV-UHFFFAOYSA-N
-rxn:4:219339:223574,COc1ccc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N2CCC(n3ccnn3)C2)c1,FNRRUOCPUNABPL-UHFFFAOYSA-N
-rxn:4:219340:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c3ccccc23)CC1,CVCTYIRPXHSNQJ-UHFFFAOYSA-N
-rxn:4:219340:223698,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)o1)N1CCC(n2cc(C3CC3)nn2)C1,UZNAIAKILXBZPB-UHFFFAOYSA-N
-rxn:4:219348:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3OC3CCN(c4nccnc4OC)C3)c(F)c2)CC1,XGPWPXHNNRTPPU-JGPFKASNSA-N
-rxn:4:219365:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCCC(Oc2ncc(F)cn2)C1,AXMLZTILUSCZNB-UHFFFAOYSA-N
-rxn:4:219411:222694,Cc1cc(C(=O)N2CCC(Oc3ccncc3-c3cccc(S(=O)(=O)NC4CCCCC4)c3)C2)nn1C,WKWXXDPGNIXNBF-UHFFFAOYSA-N
-rxn:4:219413:223810,CSc1nc(C)cc(N2CCC(Oc3ccncc3-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)C2)n1,UWNREJPPAPXBMX-UHFFFAOYSA-N
-rxn:4:219451:224254,CC1CCCN(C(=O)c2cc(-c3cn(C)nc3C(=O)N3CCCN(CC4CC4)CC3)ccc2F)C1,WCBOUEHOVOUKAC-UHFFFAOYSA-N
-rxn:4:219473:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)cc1OCC,PTANZDFURFFPRW-UHFFFAOYSA-N
-rxn:4:219475:222645,Cn1nc(C(=O)N2CCC(Oc3ncccc3-c3cccc(OCCN4CCC(O)CC4)c3)CC2)ccc1=O,LZSIZOXJLTUCNG-UHFFFAOYSA-N
-rxn:4:219498:224318,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,VWXQRHOTNDORKO-UHFFFAOYSA-N
-rxn:4:219500:228163,CCOc1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c1,ANMWKKJOBHHMLX-UHFFFAOYSA-N
-rxn:4:219517:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C3CCN(C)C3=O)C2)nc1,DJVBNFJVNKYGQR-UHFFFAOYSA-N
-rxn:4:219532:222821,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1,PITZNGFBRNUHKR-UHFFFAOYSA-N
-rxn:4:219535:224718,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(OCCN4CCOCC4)nc3)CC2)cn1,MNZNBCOQOPFAPM-UHFFFAOYSA-N
-rxn:4:219549:224015,Cc1cc(F)c(-c2cccc(C(=O)N3CCN(c4cc(-c5ccc(F)cc5)n[nH]4)CC3)c2)cc1S(=O)(=O)N1CCOCC1,NLPHGOXVMOODSP-UHFFFAOYSA-N
-rxn:4:219562:227346,CCCc1cc(F)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)c(F)c1,HWFGEUWKSYITHH-UHFFFAOYSA-N
-rxn:4:219565:226423,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(N5CCCC5)c4)cc3)CC2)n1,OCOSFRNBLFGMPT-UHFFFAOYSA-N
-rxn:4:219630:222819,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc23)CC1,TZKXFQMYYHUWLX-UHFFFAOYSA-N
-rxn:4:219653:224323,Cc1cc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc(C)c1S(=O)(=O)N1CCCC1,IQEGCHSVDZJTFO-UHFFFAOYSA-N
-rxn:4:219653:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1,MFCHOTZFOSTRTB-UHFFFAOYSA-N
-rxn:4:219654:224193,CCN1CCN(Cc2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)ccc2F)CC1,PYMILRXWRYWCPX-UHFFFAOYSA-N
-rxn:4:219654:225172,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(CN5CCOCC5)ccc4F)cc23)CC1,MRHSMYLVMDXMSW-UHFFFAOYSA-N
-rxn:4:219654:225827,CN1CCN(c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)ccn2)CC1,YHGBULVHDDGPSE-UHFFFAOYSA-N
-rxn:4:219654:225875,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCOCC5)cc4Cl)cc23)CC1,VICZYBGJIRXXNK-UHFFFAOYSA-N
-rxn:4:219676:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc(C(=O)N4CCC(Oc5cnc6ccccc6n5)CC4)c3)cc21,LTWBMOSEMLDYLR-UHFFFAOYSA-N
-rxn:4:219688:225975,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccnc(N5CCOCC5)c4Cl)cn3n2)CC1,LWMCPULJHUNIEO-UHFFFAOYSA-N
-rxn:4:219689:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn23)c1,FBCPRUAIYJASDD-UHFFFAOYSA-N
-rxn:4:219692:224606,CCCOc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c3nc(Cl)ncc23)cc(Cl)c1OC(C)C,VAQDIGCUWLAEIO-UHFFFAOYSA-N
-rxn:4:219707:223928,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)c(Cl)cc23)CC1,YWXSRKUGJSUXNL-UHFFFAOYSA-N
-rxn:4:219707:226471,CN(C)CCOc1ccc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)cn1,CLQUVDHBBFNCIU-UHFFFAOYSA-N
-rxn:4:219707:227432,Cc1nc(C2COC2)ccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,XAHIIEMAMHASCW-UHFFFAOYSA-N
-rxn:4:219758:225947,CN1CCN(c2ncc(-c3ccccc3CC(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)cn2)CC1,PTMMRXQZYPCDFX-UHFFFAOYSA-N
-rxn:4:219793:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(SCC(=O)N4CCC(C)CC4)n4c5ccccc5nc4c3c2)cc1,YPGKQFMUPPISHL-UHFFFAOYSA-N
-rxn:4:219832:223712,COCn1nc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)nc1N1CCOCC1,INQIJKHQHUIDFE-UHFFFAOYSA-N
-rxn:4:219868:224753,CCN1CCN(c2c(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)cncc2[N+](=O)[O-])CC1,BNRFFKCWBPOMLV-UHFFFAOYSA-N
-rxn:4:219874:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3ccnn3)C2)cc1S(=O)(=O)NC1CCCCC1,WBVGSCXNSWPFAS-UHFFFAOYSA-N
-rxn:4:219880:222907,CSc1ncc(-c2ccncc2NC(=O)OC(C)(C)C)c(N2CCN(S(C)(=O)=O)CC2)n1,NOQRMGDILLDQTJ-UHFFFAOYSA-N
-rxn:4:219910:223670,Cn1ccnc(N2CCC(Oc3ccncc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1=O,VBNRHVSGOBXPQA-UHFFFAOYSA-N
-rxn:4:219962:224170,Cc1cc(-n2nnc(C(=O)N3CCSCC3)c2C)ccc1-c1ccc(OCCCN2CCCC2)c(Cl)c1,FDMMRQRRTSVSLU-UHFFFAOYSA-N
-rxn:4:219988:222973,CC(C)(C)NC(=O)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1,AUVJYWYCFKDTIZ-UHFFFAOYSA-N
-rxn:4:220070:222850,CC(C)(C)OC(=O)N1CCCn2nc(-c3cc(C4CCNCC4)ccc3C#N)nc2C1,PVOANNWVKWVGPJ-UHFFFAOYSA-N
-rxn:4:220118:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2C1,HRBJNSBVIBIYRH-UHFFFAOYSA-N
-rxn:4:220133:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(n3nccn3)C4)c2)C1,WGGMCLSHGRNDSZ-UHFFFAOYSA-N
-rxn:4:220134:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2ccnn2)C3)cc1S(=O)(=O)NC1CCCC1,FFTGYTTWBDDUNG-UHFFFAOYSA-N
-rxn:4:220205:226501,CCOC(=O)c1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cnc1C,PBTBEYVQGCXWPH-UHFFFAOYSA-N
-rxn:4:220222:223812,Cc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,RLIYJFLRYFSIMJ-UHFFFAOYSA-N
-rxn:4:220268:222719,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)c4ccccc4N23)c1C,NUYQZINRBCZUJP-UHFFFAOYSA-N
-rxn:4:220398:224065,CC1CCN(c2cc(-c3cnc(N4CCN(C)CC4)c([N+](=O)[O-])c3)cc(C3CC3)c2)CC1,HLNSLOKAJORKBS-UHFFFAOYSA-N
-rxn:4:220426:224705,CC1CCN(c2ccc(-c3cnc(N4CCOCC4)nc3N3CCOCC3)c(F)c2F)CC1,FPUOLNGTGCQKRN-UHFFFAOYSA-N
-rxn:4:220518:222466,CCN1CCN(c2cnc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3n2)CC1,FXZILOCIUVZYFN-UHFFFAOYSA-N
-rxn:4:220546:223993,Cc1cc(-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,NIMAWTVNTUAIIO-UHFFFAOYSA-N
-rxn:4:221094:222438,O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c1,GFTPIRNBZYVWMU-UHFFFAOYSA-N
-rxn:4:221101:224759,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,JSRPQJWYGFBCHZ-UHFFFAOYSA-N
-rxn:4:221102:224759,CC(C)c1noc(CN2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)n1,UMKYQBUZDATAMQ-UHFFFAOYSA-N
-rxn:4:221116:226355,CCOc1ccc(-c2cc(C3CC3)c(OC)cc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,VIBWSKCXKISADO-UHFFFAOYSA-N
-rxn:4:221156:222723,CCn1cc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)nc1C,DBLLMVVCDVTFHX-UHFFFAOYSA-N
-rxn:4:221169:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,ADLDNCRIBOIWHP-UHFFFAOYSA-N
-rxn:4:221173:223595,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)ccc1=O,AYSNWDPSBNCYCX-UHFFFAOYSA-N
-rxn:4:221179:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)c2)CC1,AKOCRWMAVABYFC-UHFFFAOYSA-N
-rxn:4:221179:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)c2Cl)CC1,SYILKQKFKNCRJO-UHFFFAOYSA-N
-rxn:4:221181:224243,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCCCC5C)c4)cn3)C2)nn1C,TYOUUIRAXQLGJZ-UHFFFAOYSA-N
-rxn:4:221188:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5ccnc(C(C)C)n5)C4)nc3)c2)C1,DAOFYKKZCSTJQY-UHFFFAOYSA-N
-rxn:4:221193:224247,CC1CCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)c(F)c2)CC1,ZHYYRYWBGBAYQZ-UHFFFAOYSA-N
-rxn:4:221193:228743,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)ccc4C#N)cn3)C2)CC1,RNFYREAJMSOFSM-UHFFFAOYSA-N
-rxn:4:221209:223279,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,UGVQEXINNVHMCT-UHFFFAOYSA-N
-rxn:4:221220:223541,O=C(Cn1cnc2ccccc21)N1CCCC(Oc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cn2)C1,DXAWTRLRKKJVLJ-UHFFFAOYSA-N
-rxn:4:221230:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(c3nc4c(cc3C#N)CCC4)C2)nc1,AVAOOQVBPACDDJ-UHFFFAOYSA-N
-rxn:4:221232:222937,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cn3)C1)CCOC2,XBLJOZOLZKKUSE-UHFFFAOYSA-N
-rxn:4:221240:224759,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C1)CCC2,HEHBSIJRWAUBLK-UHFFFAOYSA-N
-rxn:4:221267:222948,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,SHBLYDOFAKGKBY-UHFFFAOYSA-N
-rxn:4:221385:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)N4CCN(c5ccc(-c6ccccn6)nn5)CC4)o3)cn2)CC1,ZELHSKANGZXJPV-UHFFFAOYSA-N
-rxn:4:221388:224326,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cn3)C2)nc(C)n1,ARFFFDBAVWBCRC-UHFFFAOYSA-N
-rxn:4:221421:223048,O=C(NC1CC1)c1cccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1F,VWLSZBMQWHEIKP-UHFFFAOYSA-N
-rxn:4:221440:222723,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,LXOIOWDMSVBIDQ-UHFFFAOYSA-N
-rxn:4:221440:223295,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(NS(C)(=O)=O)c4)cc3)CC2)n1,JSXNHBFIGMGOBS-UHFFFAOYSA-N
-rxn:4:221449:222405,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5NC(=O)NC5=O)c4)cc3)CC2)n1,HSZZZKGHOOMNIK-UHFFFAOYSA-N
-rxn:4:221452:227249,CCCOc1ccc(Cl)c(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c1,OPIBBQHEPIWSAB-UHFFFAOYSA-N
-rxn:4:221455:223684,O=C(c1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,VMYIXWOUBQTLEC-UHFFFAOYSA-N
-rxn:4:221456:222651,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cc3)CC2)n1,WYVDYSFLBAEDMD-UHFFFAOYSA-N
-rxn:4:221456:223042,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC(C)C)c(Cl)c4)cc3)CC2)n1,ZWMHLPOHPHEUAI-UHFFFAOYSA-N
-rxn:4:221456:223170,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,SIZYCXMXTDKEEE-UHFFFAOYSA-N
-rxn:4:221557:223926,COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2)n(C)c1=O,YZAHFHFNDGMJRM-UHFFFAOYSA-N
-rxn:4:221726:225098,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OCCN4CCCC4)nc3)cn2)CC1,KHPZRRIMMAVIAN-UHFFFAOYSA-N
-rxn:4:221832:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,OUXFMKIQUXDVEG-UHFFFAOYSA-N
-rxn:4:221832:224782,CN1CCN(c2cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc(F)c2F)CC1,XLVANBWDETZELI-UHFFFAOYSA-N
-rxn:4:221836:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,TXOFTVJRWZXXKT-UHFFFAOYSA-N
-rxn:4:221836:225166,O=C(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1F)N1CCCC1,DUAUPMYZNVTEJS-UHFFFAOYSA-N
-rxn:4:221951:222465,COc1nccnc1N(C)CC1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,MWRAVKBDRSAWSF-UHFFFAOYSA-N
-rxn:4:221965:226843,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)C(F)(F)F)nc5)cc4)CC3)nn2)CC1,YALCPTXVSUEMMQ-UHFFFAOYSA-N
-rxn:4:221965:227347,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OC(C)C)cc5Cl)cc4)CC3)nn2)CC1,GTJIZBKCZAMVNG-UHFFFAOYSA-N
-rxn:4:221980:226643,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(N6CCOCC6)nc5)c4)sc3n2)CC1,KZJIXERNQPQSMO-UHFFFAOYSA-N
-rxn:4:222021:224396,Cc1cc(-c2cnc(N3CCC(CN(C)c4ncnc(C)c4F)CC3)nc2)ccc1S(=O)(=O)N1CCOCC1,CEUSCRQXKHWCOB-UHFFFAOYSA-N
-rxn:4:222055:222684,Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)CC3)nn2)n1,RRLXTBFTVWWZPY-UHFFFAOYSA-N
-rxn:4:222062:228730,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)c(Cl)c4)cc3)CC2)n1,IAXKUKHHXJSLAF-UHFFFAOYSA-N
-rxn:4:222108:224690,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(=O)CC7)cc6F)cc5)no4)C3C2=O)cc1F,FSORRSVDZOVJAF-UHFFFAOYSA-N
-rxn:4:222108:225560,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOC7)c6)cc5)no4)C3C2=O)cc1F,FXFNFDCWAGDISX-UHFFFAOYSA-N
-rxn:4:222108:225581,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,BMLLABSEQDWUDE-UHFFFAOYSA-N
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-rxn:4:222184:222541,Cn1nc2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)ccc2c1C(=O)N1CCC(n2ccnn2)CC1,HZBZEIQRDFOOGU-UHFFFAOYSA-N
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-rxn:4:222210:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(n5nccn5)C4)nc3)cc2[N+](=O)[O-])CC1,MOVIWIDNOKFYSP-UHFFFAOYSA-N
-rxn:4:222329:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)c(F)cc(F)c2s1,BBYBSQSMEGNQIF-UHFFFAOYSA-N
-rxn:4:222333:225221,CC1CCCN(c2cc(-c3cnc(N4CCN(c5ccc(N6CCOCC6)nn5)CC4)nc3)c(F)cn2)C1,WHYJOVASGSTOSB-UHFFFAOYSA-N
-rxn:4:222333:225294,CCN1CCN(c2ncc(-c3cnc(N4CCN(c5ccc(N6CCOCC6)nn5)CC4)nc3)cn2)CC1,CIFLETNTRYUEAF-UHFFFAOYSA-N
-rxn:4:222334:225312,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCCN(C)CC5)nc4)cn3)CC2)n1,OHTHVFOTOLGQPR-UHFFFAOYSA-N
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-rxn:4:222389:174399,COc1cc(S(=O)(=O)Oc2cccc(C(C)=O)c2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,YYUBNKSOLWMOJR-UHFFFAOYSA-N
-rxn:4:222389:209883,Cc1cc(N2CCC(C)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,YIMQESWLVCOZKB-UHFFFAOYSA-N
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-rxn:4:222623:217889,CCC(C)c1cc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc(C2CCNCC2)n1,IMWVDIWDZSCEQX-UHFFFAOYSA-N
-rxn:4:222630:197988,CC1CCN(C2CCCc3c(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cccc32)CC1,OTFWSKXWGVWMLB-UHFFFAOYSA-N
-rxn:4:222693:187597,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,QZQZLCMOYNMTDB-UHFFFAOYSA-N
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-rxn:4:222742:199575,O=[N+]([O-])c1ccc(OCCN2CCC(C(F)(F)F)CC2)c(-c2cc(C3CCNCC3)nc(C3CC3)c2)c1,NOZUSLOLRQXEMS-UHFFFAOYSA-N
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-rxn:4:222972:187912,COc1ccc(-c2ccccc2NC(=O)C(C)(C)C)c2c1CCN(C(=O)OC(C)(C)C)C2,FXOJVKSUSKTGOK-UHFFFAOYSA-N
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-rxn:5:177190:225455:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cc(N3CCCCC3)ccc2C)c1,YAHQRKKBSOLAGW-UHFFFAOYSA-N
-rxn:5:177190:225455:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2cc(N3CCCCC3)ccc2C)c1,QAMNLCUEJJKMGZ-UHFFFAOYSA-N
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-rxn:5:177190:225462:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cccc(N3CCC(C)CC3)c2)c1,HZZDGEUTCUYCJX-UHFFFAOYSA-N
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-rxn:5:177190:225576:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,NTFIURWQYVOVAC-UHFFFAOYSA-N
-rxn:5:177190:225576:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,VLMVZXMQQVRUBX-UHFFFAOYSA-N
-rxn:5:177190:225576:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,XNPGKEWBHBDHIV-UHFFFAOYSA-N
-rxn:5:177190:225577:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCC3)cc2C#N)c1,UUTHIXHYMIVKAP-UHFFFAOYSA-N
-rxn:5:177190:225633:225456,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCN(C)CC3)cc2)c(-c2ccc(N3CCCCCC3)nc2)c1,AEQMEDYKIBNYPD-UHFFFAOYSA-N
-rxn:5:177190:225633:225465,CCS(=O)(=O)Cc1ccc(-c2cccc(C3CCN(C)CC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,ARUWFVOREFDGSJ-UHFFFAOYSA-N
-rxn:5:177190:225805:226571,CCS(=O)(=O)Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,QYGNYEWBBYPENN-UHFFFAOYSA-N
-rxn:5:177190:226424:222958,CCS(=O)(=O)Cc1ccc(-c2ccc(C)c(C3CCNCC3)c2)c(-c2cc(N3CCCC(C)C3)cs2)c1,WNMWZWPICWBTTL-UHFFFAOYSA-N
-rxn:5:177190:226426:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2ccc(N3CCC(C)CC3)s2)c1,JALGGBSQDYJIHK-UHFFFAOYSA-N
-rxn:5:177191:223006:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c(F)c2)CCC1,SFLSJJLQOIKJDI-UHFFFAOYSA-N
-rxn:5:177373:222990:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(OCC2OCCO2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,GQNXTJHLAKVVSV-UHFFFAOYSA-N
-rxn:5:177373:227803:225880,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cc(C3CCOCC3)ncc2F)ccc1OCC1OCCO1,NYIXXRGCENJENQ-UHFFFAOYSA-N
-rxn:5:177448:225450:222405,COc1ccc(-c2ccc(C(=O)C3CCCC3)cc2)c(OC(C)C)c1-c1cccc(C2NC(=O)NC2=O)c1,YKVGGXZTHIWALN-UHFFFAOYSA-N
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-rxn:5:177732:223054:223242,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccnc(C3CCNC3)c2)s1)N1CCC(O)C1,RBDFXVLWLGJLTE-UHFFFAOYSA-N
-rxn:5:177732:223139:225631,CN1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3-c3ccc(C4CCNCC4)nc3)cc2)CC1,WPFIGPOAQFZJBH-UHFFFAOYSA-N
-rxn:5:177732:226330:226679,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(N3CCCC3)cc2F)s1)N1CCCC1,UJDSVJOWGBVFLB-UHFFFAOYSA-N
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-rxn:5:177733:226649:226330,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccnc3N3CCOCC3)c2)s1)N1CCCC1,HPEILTCJBDBZSQ-UHFFFAOYSA-N
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-rxn:5:177891:223138:228318,COC(=O)c1ccncc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(C2CCNCC2)c1,XYPBARNBHILLLG-UHFFFAOYSA-N
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-rxn:5:177891:223149:225831,CCOc1cc2cn[nH]c2cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnc(N2CCOCC2)c(C)c1,OWUYESLWGSQNSX-UHFFFAOYSA-N
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-rxn:5:180022:223054:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c1C1OCCO1,XKNHHKOWTXGJBA-UHFFFAOYSA-N
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-rxn:5:180203:226583:227768,CN(C)S(=O)(=O)n1cccc1-c1cc(OC2CCOCC2)cc(-c2ccc(CN3CCOCC3)s2)c1,USGDKYIZSUYEOG-UHFFFAOYSA-N
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-rxn:5:180421:226176:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccncc1C1CCCCC1,GVKLZJPZXMDMCY-UHFFFAOYSA-N
-rxn:5:180662:222960:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3cc(C)cc(C4CCNCC4)c3)c2OC1,FMUZPSSMSLFORD-UHFFFAOYSA-N
-rxn:5:180662:223061:223065,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,TUJHUPDXGDEKOM-UHFFFAOYSA-N
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-rxn:5:180662:225982:227496,CCN(C)c1cc(F)c(-c2cc3c(c(-c4cnc(N5CCOCC5)cc4F)c2)OCC(C(=O)OC)=C3)cn1,GCUFIFCNTIRZLV-UHFFFAOYSA-N
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-rxn:5:181906:222981:225633,Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1-c1ccc(N2CCCCCC2)nc1,MCFRKXSDKMGLEV-UHFFFAOYSA-N
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-rxn:5:181907:226686:222957,Cc1cc(-c2c(-c3c(C)cnn3C3CCCCO3)cc(C)cc2C2OCCO2)cc(C2CCCNC2)c1,OOILJUPUEWZFRG-UHFFFAOYSA-N
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-rxn:5:181908:225638:222988,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCC(C)CC3)nc2)cc(C2CCNCC2)n1,AJRMPZXJISGULA-UHFFFAOYSA-N
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-rxn:5:194058:225607:225638,CC1CCN(c2ccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCCCC4)s3)cn2)CC1,GJYXFYKXVKDETB-UHFFFAOYSA-M
-rxn:5:194058:225607:225656,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cncc(N3CCCCC3C)c2)s1)N1CCCCC1,NANAKXUMFNFYGY-UHFFFAOYSA-M
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-rxn:5:194058:225607:225833,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCCCC3)c2F)s1)N1CCCCC1,BEGBYSUFQLRVMD-UHFFFAOYSA-M
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-rxn:5:194058:225607:226662,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCCCC1,MAUIQZBWBDADCI-UHFFFAOYSA-M
-rxn:5:194058:225632:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(N3CCN(C)CC3)c2)s1)N1CCCCC1,VXCRABURJYNUMF-UHFFFAOYSA-M
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-rxn:5:194058:225833:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(N3CCCCC3)c2F)s1)N1CCC(O)C1,OIQGKRVITQBHEL-UHFFFAOYSA-M
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-rxn:5:194733:223422:227092,Cc1nc(C2CCC2)ccc1-c1ccc(-c2ccc(/C=N/O)cc2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,DVUSUHCOTYKEND-JEPNHJGPSA-N
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-rxn:5:194767:226158:228550,CCCc1cc(-c2ccc(-c3ccccc3N3CCCCC3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)ccn1,LJELATDYINJUOK-UHFFFAOYSA-N
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-rxn:5:196408:225639:225985,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)CC1,ROACINSNVDQTRZ-UHFFFAOYSA-N
-rxn:5:196408:225641:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2ccnc(N3CCCC(C)C3)c2)c1,YHVBIUYJOITUPR-UHFFFAOYSA-N
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-rxn:5:196789:223065:223061,O=C1COCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(C2CCNCC2)ncc1F,YIUOTBCTSCCTLP-UHFFFAOYSA-N
-rxn:5:196789:226395:223064,O=C1COCCN1c1ccc(-c2cncc(N3CCCCC3)c2)cc1-c1ccc(C2CCNCC2)nc1F,DARWYZAZIZBTRZ-UHFFFAOYSA-N
-rxn:5:196794:223056:225849,O=C1COCCN1c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1cnc(N2CCCCC2)cc1F,BVSXHRRDARRLMH-UHFFFAOYSA-N
-rxn:5:196858:222987:223007,Cc1nc(C2CCNCC2)ccc1-c1cnc(C2CCOCC2)cc1-c1cc(F)cc(C2CCNCC2)c1,JQYPQBHBRVJKMU-UHFFFAOYSA-N
-rxn:5:196858:225671:222986,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(C3CCCCC3)ncc2F)cc(C2CCCNC2)n1,NPKMGBDDGPPQKY-UHFFFAOYSA-N
-rxn:5:196858:226685:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cnc(C2CCOCC2)nc1,OKWPUTGXBITIES-UHFFFAOYSA-N
-rxn:5:196859:223007:222986,Cc1cc(-c2nccc(C3CCOCC3)c2-c2cc(F)cc(C3CCNCC3)c2)cc(C2CCCNC2)n1,RDLPZITVFQDFSB-UHFFFAOYSA-N
-rxn:5:196916:225641:226346,Cc1cc(OC(C)C)c(F)c(-c2ccc(N3CCCCC3=O)c(-c3ccnc(N4CCCC(C)C4)c3)c2)c1,TUXRETGMZGQNEG-UHFFFAOYSA-N
-rxn:5:196970:225456:225985,CN1CCC(c2ccc(-c3c(C4CCCCC4)ccnc3-c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1,UNDJIMOPZKBNEH-UHFFFAOYSA-N
-rxn:5:196970:225461:225985,Cc1cc(N2CCCCC2)ccc1-c1c(C2CCCCC2)ccnc1-c1cccc(N2CCCS2(=O)=O)c1,WVIURPLWPXPPGP-UHFFFAOYSA-N
-rxn:5:196970:225465:225985,CN1CCC(c2cccc(-c3c(C4CCCCC4)ccnc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,RHNAWIIHARKRPL-UHFFFAOYSA-N
-rxn:5:196970:225465:225986,CN1CCC(c2cccc(-c3c(C4CCCCC4)ccnc3-c3ccccc3N3CCCS3(=O)=O)c2)CC1,COPBCXWZNUTFNH-UHFFFAOYSA-N
-rxn:5:196970:225576:225985,N#Cc1cc(-c2c(C3CCCCC3)ccnc2-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCC1,CAFGGDFBPRWOIH-UHFFFAOYSA-N
-rxn:5:196970:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccnn1C1CCCCO1,CAXVFSYXTGTFFO-UHFFFAOYSA-N
-rxn:5:196970:225985:225455,Cc1ccc(N2CCCCC2)cc1-c1nccc(C2CCCCC2)c1-c1cccc(N2CCCS2(=O)=O)c1,XCISOTSWUSGZMS-UHFFFAOYSA-N
-rxn:5:196970:226652:222998,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2cc(F)cc(C3CCCNC3)c2)n(C2CCCCO2)n1,GUJCZUCUPDOOOS-UHFFFAOYSA-N
-rxn:5:196970:226652:223001,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2cc(C3CCCNC3)ccc2F)n(C2CCCCO2)n1,ZGUBIVJCHOIDBZ-UHFFFAOYSA-N
-rxn:5:196978:226176:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)ccc1N1CCCCC1,HHICVRCTAPRZCT-UHFFFAOYSA-N
-rxn:5:196979:225638:225985,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(N4CCCCC4)c3)cn2)CC1,CLFQLDRVONUDQZ-UHFFFAOYSA-N
-rxn:5:197169:225986:225639,CC1CCN(c2ncccc2-c2cc3c(c(-c4ccccc4N4CCCS4(=O)=O)c2)OCC(C#N)=C3)CC1,YEOKJTPBOOLJCV-UHFFFAOYSA-N
-rxn:5:199280:225804:225926,CN1C(=O)CCc2c1ccc(-c1ccc(C(=O)N3CCC3)c(F)c1)c2-c1ccc(S(=O)(=O)N2CCC2)cc1,QIJAUUJWUMLJAT-UHFFFAOYSA-N
-rxn:5:199280:225926:225804,CN1C(=O)CCc2c1ccc(-c1ccc(S(=O)(=O)N3CCC3)cc1)c2-c1ccc(C(=O)N2CCC2)c(F)c1,OGYJPQMNCYIJHO-UHFFFAOYSA-N
-rxn:5:225639:196978:225985,CC1CCN(c2ncccc2-c2ccc(N3CCCCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,IKOBMIHOCCOMLN-UHFFFAOYSA-N
-rxn:5:225640:181908:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(N3CCCCC3C)c2)cc(C2CCNCC2)c1,UFVCYDKXPVANSQ-UHFFFAOYSA-N
-rxn:5:225674:196970:222986,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cnc(C3CCCCC3)cc2F)cc(C2CCCNC2)n1,DGJJBMZTKSXMJR-UHFFFAOYSA-N
-rxn:5:225804:199278:225926,CN1C(=O)CCc2cc(-c3ccc(C(=O)N4CCC4)c(F)c3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c21,SYQZLKFTJDJEOE-UHFFFAOYSA-N
-rxn:5:225804:199280:225926,CN1C(=O)CCc2c1ccc(-c1ccc(C(=O)N3CCC3)c(F)c1)c2-c1ccc(S(=O)(=O)N2CCC2)cc1,QIJAUUJWUMLJAT-UHFFFAOYSA-N
-rxn:5:225804:199281:225926,CN1C(=O)CCc2cc(-c3ccc(C(=O)N4CCC4)c(F)c3)c(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc21,UAOWZRBNTDUZSS-UHFFFAOYSA-N
-rxn:5:225832:181904:223063,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(F)nc(C2CCNCC2)c1,STSJHVAQLFOXOS-UHFFFAOYSA-N
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-rxn:5:225832:182011:226197,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccc(C2CCCOC2)cc1,IEIIVGNHSRXFQW-UHFFFAOYSA-N
-rxn:5:225832:192082:222996,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OC2COC2)c(-c2ccc(F)cc2C2CCCNC2)c1,YVJYXHOMBCZSDM-UHFFFAOYSA-N
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-rxn:5:225926:199278:225804,CN1C(=O)CCc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccc(C(=O)N4CCC4)c(F)c3)c21,QNJCKCYXBRAQIK-UHFFFAOYSA-N
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-rxn:5:225985:196979:225576,N#Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(N3CCCCC3)c2)ccc1N1CCCC1,RGKYYRKGNLQXPX-UHFFFAOYSA-N
-rxn:5:225985:196979:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(N2CCCCC2)c1,HDTPTSYQZIVPCW-UHFFFAOYSA-N
-rxn:5:225986:197169:225639,CC1CCN(c2ncccc2-c2cc3c(c(-c4ccccc4N4CCCS4(=O)=O)c2)OCC(C#N)=C3)CC1,YEOKJTPBOOLJCV-UHFFFAOYSA-N
-rxn:5:226059:178295:228739,COC(=O)C1(c2cc(-c3cc(OC)ncc3C)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,HGGVZMGQOZKCKM-UHFFFAOYSA-N
-rxn:5:226067:178295:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,QTLLYOJNFNSFQQ-UHFFFAOYSA-N
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-rxn:5:226068:189208:226926,Cc1cc(C(C)(C)C)ccc1-c1cc(-c2c(C)cc(C(C)(C)C)cc2C)ccc1C(=O)ON1C(=O)CCC1=O,USGIQIUKXDHVRG-UHFFFAOYSA-N
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-rxn:5:226159:193972:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(N4CCCCC4)c3)cc2C)ccn1,NRQBOLKGGCEOOM-UHFFFAOYSA-N
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-rxn:4:174624:225605,COc1ccc(-c2cc(C)cnc2OC2CCCC2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,VWKUDLJWOCVLLB-UHFFFAOYSA-N
-rxn:4:174649:226128,COc1ccc(-c2ccc(C(=O)CC3CC3)cc2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,BWEMRZZKCPWPGQ-UHFFFAOYSA-N
-rxn:4:174657:223382,COc1ccc(-c2cnc(NC3CC3)nc2)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,KVJUQJOTCPQEJV-UHFFFAOYSA-N
-rxn:4:175087:222511,CC(F)(F)c1cc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)ccc1OCC(F)F,ABQHXJGCPZAMPA-UHFFFAOYSA-N
-rxn:4:175421:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1OCC1OCCO1,NOCSQJAYFJMWGU-UHFFFAOYSA-N
-rxn:4:175736:223480,Cc1cc(-c2cc(-c3ccccc3)ccc2OCC2CO2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VLMCYMJETSEUES-UHFFFAOYSA-N
-rxn:4:175871:222588,CCOC(=O)c1ccc(C(C)(C)C)cc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,ANSUQQWQGPULKE-UHFFFAOYSA-N
-rxn:4:176018:224621,COc1cc(-c2ccc(OCCN3CCSCC3)cc2)c(F)cc1OCC1CCCCC1,FUHOAKDCNJXCSD-UHFFFAOYSA-N
-rxn:4:176050:225222,COc1cc(C2OCCCO2)c(-c2cc(N3CCCCC3C)ncc2F)c(OC)c1OC,HJYKBGJPFAODDA-UHFFFAOYSA-N
-rxn:4:176165:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cc(C)ccc4F)c3)cc2C)CC1,ARODDOMEHCHJBQ-UHFFFAOYSA-N
-rxn:4:176237:222647,CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C)c(NC(=O)OC(C)(C)C)cc3C)cc1)C2=O,VVTLDTUPUWITMK-UHFFFAOYSA-N
-rxn:4:176253:223689,CCCc1c(OC)c(OC)cc2cc(-c3ccc(OC)c(S(=O)(=O)N4CCN(CC)CC4)c3)c(C)cc12,LNHUQBFSBIXHIB-UHFFFAOYSA-N
-rxn:4:176294:222843,Cc1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)c2)c(C(=O)NC(C)(C)C)c1,YRVROOJICSNZIY-UHFFFAOYSA-N
-rxn:4:176794:223562,COc1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC(C)=O,WNICJMDSUNOIII-UHFFFAOYSA-N
-rxn:4:176920:223812,COC(=O)c1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c(OC)c(F)c1F,ZSFUMSQEXPWBNS-UHFFFAOYSA-N
-rxn:4:177015:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c(F)cccc3OCC3CC3)cc2)CC1,TYHDVLOKFAKPMG-UHFFFAOYSA-N
-rxn:4:177738:223815,COc1cc(Cl)c(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1OC1CCC1,AUGDYNCTTILYCC-UHFFFAOYSA-N
-rxn:4:177833:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(C)(C)C)cc3OC(F)F)cc2)C1,BMUJDKBQSPCAPC-UHFFFAOYSA-N
-rxn:4:177854:223712,CCOc1c(F)cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C1OCCO1,RURUIEBDHJKZQZ-UHFFFAOYSA-N
-rxn:4:178018:223926,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc(OC)c1C1OCCO1,RZPCNSUCHDINPA-UHFFFAOYSA-N
-rxn:4:178328:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)CC4CCCCC4)cc3)cc2)CC1,BHQBWYDKBLQFAF-UHFFFAOYSA-N
-rxn:4:178384:226658,Fc1nc(N2CCCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YXLOJVQRJNOQLN-UHFFFAOYSA-N
-rxn:4:178384:227252,CCCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1Cl,IHJYIWBORVCGKB-UHFFFAOYSA-N
-rxn:4:178597:225463,Cc1ccccc1-c1cncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,NHOZWLJUKJVCOW-UHFFFAOYSA-N
-rxn:4:178597:227092,Cc1nc(C2CCC2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,MXPFEMBMOLIOHW-UHFFFAOYSA-N
-rxn:4:180024:222465,COc1c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)ccc(F)c1C1OCCO1,PYYUHOSKFQUBBS-UHFFFAOYSA-N
-rxn:4:180110:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC2CCS(=O)(=O)C2)cc1,OPHHQNXDEOGBJB-UHFFFAOYSA-N
-rxn:4:180180:223489,C#CC1(c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)CCCC1,BKJKCCKDXUTDJA-UHFFFAOYSA-N
-rxn:4:180378:222465,Cc1ccc(OC2CCCCO2)c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1,CPXGIBXSMQGECQ-UHFFFAOYSA-N
-rxn:4:180421:222465,Clc1ccc(CC2CCCCC2)cc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,QBTUVINPERBFHC-UHFFFAOYSA-N
-rxn:4:180443:223901,CC1CCN(CCOc2ccc(-c3cc(C4CC4)ccc3C3COCCO3)cc2Cl)CC1,OOPNTXNEEYNVOH-UHFFFAOYSA-N
-rxn:4:180611:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3c(c2)C(=O)C(C(=O)C(F)(F)F)C3)c1,FFNDRQOHWDEHSZ-UHFFFAOYSA-N
-rxn:4:180701:223813,COC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc2c1OCCC2,PQLGGCRJVOMEIE-UHFFFAOYSA-N
-rxn:4:181493:223492,Cc1cc(-c2cc(Cl)cc(C3CC3(F)F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RCYDHVBMMFZBSI-UHFFFAOYSA-N
-rxn:4:182201:223482,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2c1OCCO2,HLILOOCJJUHKCF-UHFFFAOYSA-N
-rxn:4:182324:223728,CCCCCC1CCC(c2ccc(-c3cc4c(c(C)c3OC)C(=O)CCC4)c(F)c2)CC1,STGDCIRNMSEAKZ-UHFFFAOYSA-N
-rxn:4:182372:222628,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc1C2=O,PSPDLZKCQVRNSB-KLXGXMTPSA-N
-rxn:4:182372:223598,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc1C2=O,YTDFRARKXIBJBT-YLIUREIVSA-N
-rxn:4:182372:223974,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(N4CCC(C)CC4)cc3C(F)(F)F)cc1C2=O,MSRIMKBJWBCDDY-MGFGWZDJSA-N
-rxn:4:182372:224336,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)cc1C2=O,DWIYEOZVCKUCQX-WVPZODRTSA-N
-rxn:4:182372:224378,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc1C2=O,IWBMNJBZKMUAHU-WBANQOEISA-N
-rxn:4:182374:223767,CC(=O)c1cc2c(cc1-c1cc3ccc(C#N)cc3n1C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,KEMNHURPLSIFQS-UHFFFAOYSA-N
-rxn:4:182376:223074,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(NS(=O)(=O)C5CC5)c4)cc3C2=O)C[C@@H]1C,STVIYPGSGXGLJQ-LFDUYPAXSA-N
-rxn:4:182376:225043,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(OC5CCCCC5)c(F)c4)cc3C2=O)C[C@@H]1C,OFWMCACJJYPNTE-UBHXRJOGSA-N
-rxn:4:183139:223527,CC1CCc2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2O1,ARYNTXMDRVIRSA-UHFFFAOYSA-N
-rxn:4:183273:227969,Cc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1C1CC1,NVHWMXWGIQJSDK-UHFFFAOYSA-N
-rxn:4:183274:227118,Cc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(Cl)cc1C1CC1,KYGJJZAAMPBOOU-UHFFFAOYSA-N
-rxn:4:183511:224355,CCOC(=O)Cc1cc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc(C#N)c1C(F)F,QJZSWGITOOTLMO-UHFFFAOYSA-N
-rxn:4:183519:224252,CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1-c1ccc(C(=O)N2CCCC(C)C2)c(F)c1,FMJMQJAETAPEQL-UHFFFAOYSA-N
-rxn:4:183693:225729,CCCCOc1ccc(F)c(-c2ccc(OC(F)(F)F)c(CN3CC(C(=O)OC)C3)c2)c1F,LKZRMUQONUMNHX-UHFFFAOYSA-N
-rxn:4:183696:222619,O=C(NCc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC2)cc1)C1CCCCC1,HDIJPTOERCETDF-UHFFFAOYSA-N
-rxn:4:183710:223972,CCN(CC)Cc1cc(C(=O)OC)cc(-c2ccc(N3CCCCC3C)cc2C(F)(F)F)c1,NVKKVQOWZZBXFU-UHFFFAOYSA-N
-rxn:4:183733:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(S(=O)(=O)CCC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)CC1,SOBFTBQWKVOMNO-UHFFFAOYSA-N
-rxn:4:183770:222711,COc1ccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)cc1S(=O)(=O)NC(C)(C)C,RHCKAOOPCYLDMS-UHFFFAOYSA-N
-rxn:4:183770:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,MUBJAORVRISBPH-UHFFFAOYSA-N
-rxn:4:183818:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccccc3CN(C(=O)OC(C)(C)C)C3CC3)cn2)CC1,RCHKIRAFHMVXNH-UHFFFAOYSA-N
-rxn:4:183829:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(F)c(CN(C(=O)OC(C)(C)C)C4CC4)c3)cc2C1,PUNSWXLSLWSTEV-UHFFFAOYSA-N
-rxn:4:183933:224941,Cc1c(CN(C(=O)OC(C)(C)C)C2CC2)cccc1-c1ccc(CCN2CCOCC2)cc1,NRTGNLGRKQIOHY-UHFFFAOYSA-N
-rxn:4:183964:226720,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2cc(C(=O)OC)ncc2OC)c1,GQMWGALFUDAEBJ-UHFFFAOYSA-N
-rxn:4:184011:223904,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1,LWTGZJARZWERFG-UHFFFAOYSA-N
-rxn:4:184030:223858,COc1cc2c(cc1-c1c(F)cccc1OCC1CCN(C(=O)OC(C)(C)C)CC1)-c1ccccc1C2(C)C,IGQJOALHJTWUOW-UHFFFAOYSA-N
-rxn:4:184032:225408,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2cc3c4c(c2)CCCN4CCC3)c1,VHDOSIRSFWSYSH-UHFFFAOYSA-N
-rxn:4:184062:223093,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1cncc(NS(=O)(=O)C(C)C)c1,FHVNWDPBWHFAGD-UHFFFAOYSA-N
-rxn:4:184070:225150,COC(=O)C1(c2ccc(-c3ccc(-n4ccc(C)n4)cc3OC)cc2C)CCN(C(=O)OC(C)(C)C)C1,QMXCLSBPOYGLRH-UHFFFAOYSA-N
-rxn:4:184096:223510,CC1(C)CCC(N(Cc2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)C(=O)OC(C)(C)C)CC1,ZFPSWGQRPTVMQF-UHFFFAOYSA-N
-rxn:4:184099:228586,CC(C)c1ncccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,APTPWLWDYBGBSD-UHFFFAOYSA-N
-rxn:4:184119:224412,O=C1c2ccccc2C(=O)N1CCCCOc1cc(F)cc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1,XTRLYFWAHBUQPV-UHFFFAOYSA-N
-rxn:4:184126:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C(F)(F)F)ccc1OCCCN1C(=O)c2ccccc2C1=O,WNTCYNVKEQMEMO-UHFFFAOYSA-N
-rxn:4:184132:224853,COC(=O)c1cc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc2c1ccn2CC(=O)OC(C)(C)C,BOULFGBDKGZBHI-UHFFFAOYSA-N
-rxn:4:184145:224256,Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)cc1OCCCCN1C(=O)c2ccccc2C1=O,ZBAFCKRPMHCDSA-UHFFFAOYSA-N
-rxn:4:184158:225763,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C(=O)OC)c(OC)cc3C)cc1)C2=O,DJFLMFQYCSKESM-UHFFFAOYSA-N
-rxn:4:184160:223885,CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2c1=O,MBYBHFIKNIOQNZ-UHFFFAOYSA-N
-rxn:4:184365:223812,CCOC(=O)Cc1c(C#N)ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1F,GYTDVANEKUCZGJ-UHFFFAOYSA-N
-rxn:4:184541:223534,COC(=O)Cc1c(C#N)cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1OC,XLJFZQYHNXWNRQ-UHFFFAOYSA-N
-rxn:4:184612:224174,CCOc1cc(C#N)c(-c2ccc(N(CC)C(=O)OC(C)(C)C)cc2)c(OC2C=CO2)c1,DCWAAGUFXMRGAY-UHFFFAOYSA-N
-rxn:4:184650:223501,CCOC(=O)Cc1cc(C#N)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1C,WWDRMGZMJRXYAN-UHFFFAOYSA-N
-rxn:4:184761:223507,CC(C)(C)OC(=O)C(C#N)c1cccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ASJFBKKEOJSSEA-UHFFFAOYSA-N
-rxn:4:184805:223872,CCN(C(=O)c1cccc(-c2cc([N+](=O)[O-])c(C(=O)OC)cc2Oc2ccc(F)cc2F)c1)C1CCCCC1,SFPBCOPAKATGSN-UHFFFAOYSA-N
-rxn:4:184813:223528,CCCN(CC)Cc1cccc(F)c1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,YSUMIOGFAOUTHY-UHFFFAOYSA-N
-rxn:4:184908:224412,COc1ccc(OCC(=O)N2CCCC2)c(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1,NTDQYDIWJQJBGN-UHFFFAOYSA-N
-rxn:4:184914:224665,COC(=O)C1CN(Cc2cc(-c3ccc(F)cc3CN3CCN(C)CC3)ccc2OC)C1,YNEAKMPCHTZRNJ-UHFFFAOYSA-N
-rxn:4:184987:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC3)c(OCC(C)C)c2)CC1,FGJAUBNATNLIET-UHFFFAOYSA-N
-rxn:4:185061:224170,Fc1cc(Cl)cc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)c1OCCN1CCCC(C(F)(F)F)C1,YUBZZQVRPISOJZ-UHFFFAOYSA-N
-rxn:4:185079:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc1,CMXLDXHUXLSXES-UHFFFAOYSA-N
-rxn:4:185082:224420,CCN(C(=O)OC(C)(C)C)c1cc(C)cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,OUOUIVYIMSBUIB-UHFFFAOYSA-N
-rxn:4:185085:223959,CCN1CCN(C(=O)c2cc(-c3cc(C)ccc3CN(C)C(=O)OC(C)(C)C)ccc2Cl)CC1,KSYYDIRVIYECQY-UHFFFAOYSA-N
-rxn:4:185097:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cc(F)c3OCCN3CCC(OC)CC3)cc2)CC1,YKNKJUVOLYJTLR-HZCBDIJESA-N
-rxn:4:185140:225301,COC(=O)C1CCCN(CCc2ccc(F)c(-c3cc(OC4CCOCC4)ncc3F)c2)C1,VWSJCTGFBPPAMJ-UHFFFAOYSA-N
-rxn:4:185144:222960,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C)cc(C4CCNCC4)c3)cc2)CC1,SGQNFBXKPOWTHG-UHFFFAOYSA-N
-rxn:4:185172:222614,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)o1)N1CCCC1CS(=O)(=O)c1ccccc1,AISPWRIWXCXXDY-UHFFFAOYSA-N
-rxn:4:185179:224649,O=C(c1ccc(F)cc1)N(Cc1ccc(-c2cc(F)ccc2OCC2CCCCO2)o1)C1CCS(=O)(=O)C1,FSMIIIJGOGELOR-UHFFFAOYSA-N
-rxn:4:185179:224759,O=C(c1cc(F)cc(-c2ccc(CN(C(=O)c3ccc(F)cc3)C3CCS(=O)(=O)C3)o2)c1)N1CCOCC1,XTYWKDFACWGNER-UHFFFAOYSA-N
-rxn:4:185193:224088,CC1CCN(CCCOc2c(F)cccc2-c2ccc(OCCN3CCCCCC3)cc2)CC1,XUOXSKMBIWWRJF-UHFFFAOYSA-N
-rxn:4:185199:225499,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(C3CCCCC3)cc2F)c1,NKZUXYXRLMXYIH-UHFFFAOYSA-N
-rxn:4:185199:226686,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2c(C)cnn2C2CCCCO2)c1,SCNRMSAZKDJDNX-UHFFFAOYSA-N
-rxn:4:185202:225390,COc1cc(-c2cc(CC(C)C)cc(C3CC3)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,ZDMUWCVGVVEUJO-UHFFFAOYSA-N
-rxn:4:185206:225876,COc1cc(-c2cc(Cl)ccc2N2CCOCC2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,XSQOCPGJHZZRMU-UHFFFAOYSA-N
-rxn:4:185224:224603,COc1cc(-c2cccc3c2cnn3C2CCCCO2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,LDCRLWSILMCMRZ-UHFFFAOYSA-N
-rxn:4:185233:224400,O=C(Cc1ccc(F)cc1)N(c1ccc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,WSTRFPOPDBYCFY-UHFFFAOYSA-N
-rxn:4:185242:224848,CCC(CC)C(=O)N1CCCC1c1ccc(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1,RFIRDKRPWRXSSR-ROYFHAAWSA-N
-rxn:4:185255:222630,COc1ccccc1C(=O)N(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1)C1C=CS(=O)(=O)C1,CQIBEEUQKUHPSN-UHFFFAOYSA-N
-rxn:4:185267:224363,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(OC)cc(S(=O)(=O)N(CC)CC)c3)c2)CC1,QNOAEKZMGJUNLO-UHFFFAOYSA-N
-rxn:4:185291:225114,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CCS(=O)(=O)C3)cc2)cs1,WMAZTHKGFHQJQC-UHFFFAOYSA-N
-rxn:4:185301:224407,Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)cc1OCCCN1CCC(C)CC1,XKJAWTRHRURZET-UHFFFAOYSA-N
-rxn:4:185324:227215,COCCOc1ccc(-c2cc(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,GCTZGEPJCPZQGE-UHFFFAOYSA-N
-rxn:4:185333:224582,Cc1cccc(CC(=O)N(c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc2)C2C=CS(=O)(=O)C2)c1,SYOKBXNBFVSKOB-UHFFFAOYSA-N
-rxn:4:185384:226844,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,OGNORGCTVVDHCX-UHFFFAOYSA-N
-rxn:4:185398:226058,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2c(C(C)C)cccc2C(C)C)c1,DGPIIGFGAUVATJ-UHFFFAOYSA-N
-rxn:4:185446:223279,CC(c1ccc(-c2cnc(C3CCCN3)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,FAOJPQBRFSYNMS-UHFFFAOYSA-N
-rxn:4:185489:224420,CCOCCCN1Cc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc2OCC1=O,SZTJZIMJXYLXBU-UHFFFAOYSA-N
-rxn:4:185589:224060,COc1ccc(-c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,CZKRJPIKZCIHNO-UHFFFAOYSA-N
-rxn:4:185644:226730,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cnc(OC6CCC6)nc5Cl)cc4c3=O)C(=O)N2CC2CCCO2)cc1,CGBRRROWNJLBMU-UHFFFAOYSA-N
-rxn:4:185746:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccnc(OC(C(F)(F)F)C(F)(F)F)c1,ZUOMYFKUIBEKGH-UHFFFAOYSA-N
-rxn:4:185817:223660,COC(=O)Cc1cc(F)c(C#N)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,ITXTWNYCNKBYAM-UHFFFAOYSA-N
-rxn:4:186110:223923,COC(=O)c1cc(OC)c(-c2ccc(F)c(C(=O)N(C)C3CCCCC3)c2)cc1[N+](=O)[O-],GITDCECPKKFVQL-UHFFFAOYSA-N
-rxn:4:186773:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OCCN2CCCC2)cc1F,SMYYTEPVOMYZGR-UHFFFAOYSA-N
-rxn:4:186814:223663,O=S(=O)(c1cc(-c2cc(OCc3ccccc3)cc(OC(F)(F)F)c2)ccc1OC(F)(F)F)N1CCCC1,LWVKXRLKVNCBMU-UHFFFAOYSA-N
-rxn:4:186865:222511,CN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c(Cl)c1,QJGVEBPDYNBWAC-UHFFFAOYSA-N
-rxn:4:186874:222546,Fc1cc(-c2ccc(OCCN3CCOCC3)cc2F)ccc1OCCNC1CCCCC1,FYFISQGVSKREEW-UHFFFAOYSA-N
-rxn:4:186922:224269,CC(C)(C)OC(=O)n1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)c2ccncc21,GKGMVXMPWOZGAS-UHFFFAOYSA-N
-rxn:4:186955:223888,COC(=O)C1CN(Cc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc2C)C1,DVVYDWFZFVVZRP-UHFFFAOYSA-N
-rxn:4:187004:223812,O=C(COc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)N1CCC(F)(F)CC1,MEAOBMZJACBDJO-UHFFFAOYSA-N
-rxn:4:187006:223682,COC(=O)c1cc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)ccc1CN1CCC(F)(F)C1,DIDANNILUCHWJR-UHFFFAOYSA-N
-rxn:4:187007:225178,COC(=O)c1cc(CN2CCC(F)(F)C2)cc(-c2ccc(CN3CCOCC3)cc2F)c1,JRAMOQPKGVWDHY-UHFFFAOYSA-N
-rxn:4:187008:223502,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(CN2CCC(F)(F)C2)c1,FGYGEXOWYBPJAB-UHFFFAOYSA-N
-rxn:4:187049:223568,CCN(C(=O)c1ccc(C)c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c1)C(C)C,ZSSXCKOQQIXSLA-UHFFFAOYSA-N
-rxn:4:187067:224665,CCOC(=O)c1cc(-c2ccc(F)cc2CN2CCN(C)CC2)ccc1N1CCOCC1,KJPRXXXIEDRTAG-UHFFFAOYSA-N
-rxn:4:187116:225174,Cc1cc(-c2ccc(F)cc2CN2CCOCC2)c(OCC2CCOCC2)c([N+](=O)[O-])c1,RQFZVWRUYWQHBB-UHFFFAOYSA-N
-rxn:4:187117:223775,C#Cc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccc(OC)cc23)cc1N1CCC(C(=O)OC)CC1,BXQKNWSUTQCNBM-UHFFFAOYSA-N
-rxn:4:187126:223922,COc1cc(S(=O)(=O)N2CCCC2)c(OC)cc1-c1ccc(Cl)c(C(=O)N(C)C2CCCCC2)c1,CGFMQHFBMGPLST-UHFFFAOYSA-N
-rxn:4:187209:222538,COC(=O)C1CCN(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2F)CC1,DCHMTDVGLSNGFH-UHFFFAOYSA-N
-rxn:4:187231:222956,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(C)cc2C2CCCNC2)cc1,OMDDVJHKGBQOSK-UHFFFAOYSA-N
-rxn:4:187266:222971,COc1c(Cl)cc(C(=O)N2CCCC(C(F)(F)F)C2)cc1-c1ccc(NC(=O)C(C)(C)C)cc1,ZGTVJFZWJFTPSJ-UHFFFAOYSA-N
-rxn:4:187284:223815,COCC1CCN(Cc2cccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)c2)CC1,SPULKHYOSSNOQC-UHFFFAOYSA-N
-rxn:4:187303:224425,CCCC1CCC(c2ccccc2-c2ccc(F)cc2CCN2CCC(OC)CC2)CC1,TXOXJSLUIRDKHP-UHFFFAOYSA-N
-rxn:4:187353:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2coc([Si](C(C)C)(C(C)C)C(C)C)n2)cc1,HEVXJWJFODTLDS-UHFFFAOYSA-N
-rxn:4:187386:222658,CCOC(=O)C1ON=C(c2ccc(C)c(-c3cc(F)cc(C(=O)NC4CCCCC4)c3)c2)C1(C)C,JKAJKBPBTSOPKJ-UHFFFAOYSA-N
-rxn:4:187389:222927,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cnc(N2CCCCC2O)nc1C,ZTUCOLXFALUENJ-UHFFFAOYSA-N
-rxn:4:187405:222803,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,YREBCZGUHCFDEV-UHFFFAOYSA-N
-rxn:4:187405:222862,CCCCNC(=O)c1ccc(-c2ccc(OCC(=O)N3CCC(C)CC3)cc2C)cc1F,URITUZLVYYREFD-UHFFFAOYSA-N
-rxn:4:187435:224845,COC(=O)C1CCN(Cc2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)CC1,RJYJKANBNAWAHF-UHFFFAOYSA-N
-rxn:4:187437:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(C)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1,NISMFOWWMLDUFK-UHFFFAOYSA-N
-rxn:4:187486:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N(C)C1CCCCC1,GFOOVMDQNINSLZ-UHFFFAOYSA-N
-rxn:4:187495:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1,IDPRGGNBTMNLOT-UHFFFAOYSA-N
-rxn:4:187540:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(CN(C)C(C)C)cc(C(C)(C)C)c2)cc1,JOHMPBHKHHAZKE-UHFFFAOYSA-N
-rxn:4:187542:224884,COc1cc(-c2cccc(CN3CCC(C)CC3)c2)cc(OC)c1CN1CCC(C)CC1,XDWNZBRUCYIBKR-UHFFFAOYSA-N
-rxn:4:187542:225054,COc1cc(-c2ccc(N3CCCCC3C)cc2Cl)cc(OC)c1CN1CCC(C)CC1,JMJBOCBSFPDVFA-UHFFFAOYSA-N
-rxn:4:187566:224824,Cc1ccc(S(=O)(=O)N(c2ccc(-c3cc(C4OCCO4)cc(C(F)(F)F)c3)cc2)C2C=CS(=O)(=O)C2)cc1,MHPZBYNXDBFFCU-UHFFFAOYSA-N
-rxn:4:187579:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)co2)c1,UQNBGKYGMYLOBI-UHFFFAOYSA-N
-rxn:4:187618:223561,CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(-c2ccccc2-c2cccc(C(=O)N3CCCC(C(F)(F)F)C3)c2)cc1,SGPONAAGEXXDOL-UHFFFAOYSA-N
-rxn:4:187628:225173,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(C(=O)N2CCCC2)cc1F,WSRNOBXTTGXSKS-UHFFFAOYSA-N
-rxn:4:187643:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCCO3)cc1,IZRZJPPMEYVFGR-UHFFFAOYSA-N
-rxn:4:187677:223279,CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(-c2cnc(C3CCCN3)nc2)cc1,PRZUYTLEQVCFRR-UHFFFAOYSA-N
-rxn:4:187779:222466,COCCCN1CCOc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc21,YUIQXGREHFGEIQ-UHFFFAOYSA-N
-rxn:4:187916:225438,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C(C)N2CCCC2)cc1,VDDMSDZSFOZRTL-UHFFFAOYSA-N
-rxn:4:187916:226056,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1c2c(cc3c1CCC3)CCC2,NFLBICUFYURKEH-UHFFFAOYSA-N
-rxn:4:187945:226330,COC(=O)C1=Cc2cc(-c3ccc(C(C)N4CCCC4)s3)ccc2N(CC(C)C)CCC1,PHYXCTBNYHWNLI-UHFFFAOYSA-N
-rxn:4:187961:222468,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)cc1)CC(C)(C)CC2=O,JBXFDSILXOUASF-UHFFFAOYSA-N
-rxn:4:187971:224161,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc21,AOILHBGFOLZNLW-UHFFFAOYSA-N
-rxn:4:187971:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc4ccn([Si](C(C)C)(C(C)C)C(C)C)c4c3)cc2)CC1,IAKLHTKGSUNBDB-UHFFFAOYSA-N
-rxn:4:187973:222845,CC(c1ccc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)cc1)N1CCNCC1,JUNQJTNEIWRGOD-UHFFFAOYSA-N
-rxn:4:187990:223549,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccc(COc3c(C(C)C)cccc3C(C)C)cc2)cc1,ITHXKNMHNYXBQD-UHFFFAOYSA-N
-rxn:4:187999:227266,CCOCc1cc(F)ccc1-c1cc(OC)c2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2,UHMAIELNSSFSHO-UHFFFAOYSA-N
-rxn:4:188014:225381,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1,BNEJHLIWHKGNSW-UHFFFAOYSA-N
-rxn:4:188891:222447,COC(=O)c1cc([N+](=O)[O-])c(-c2c(OC)ccc3c2N=C(NC(=O)OC(C)(C)C)C3)cc1C,OPRICZYFXBDMOP-UHFFFAOYSA-N
-rxn:4:189737:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1cc(F)ccc1CC(=O)N1CCC(F)(F)C1,KWRSOWGMEBJPDB-UHFFFAOYSA-N
-rxn:4:189843:223608,O=S(=O)(c1cc(-c2ccc(F)cc2CCN2CCC(F)(F)C2)ccc1OC(F)(F)F)N1CCOCC1,XWDLSAWWEMJOKH-UHFFFAOYSA-N
-rxn:4:189922:224325,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,RACRNOXKFLXHJZ-UHFFFAOYSA-N
-rxn:4:189943:222695,Cc1ccc(-c2ccccc2CS(=O)(=O)N2CCOCC2)cc1S(=O)(=O)NC1CCCC1,QACBHZVRBIMUTJ-UHFFFAOYSA-N
-rxn:4:190053:222773,O=C(NC1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCCC2)cc1,MBEBWZKYDKZFRA-UHFFFAOYSA-N
-rxn:4:190056:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc(F)cc1CC(=O)N1CCCC(F)(F)C1,VECNXAGCLDVARK-UHFFFAOYSA-N
-rxn:4:190085:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(C(F)(F)F)c2C(=O)N2CCC(F)(F)CC2)CC1,YMWMMGYQNMPSCE-UHFFFAOYSA-N
-rxn:4:190100:223897,Cc1ccc(-c2ccc(F)cc2CCN2CCCCC2)cc1OCCCN1CCOCC1,RUJZVLRFEKTLKD-UHFFFAOYSA-N
-rxn:4:190104:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3nccc(C4CCCCC4)c3C(=O)OC)cc2)CC1,GWFUMKQDTZQLQF-HZCBDIJESA-N
-rxn:4:190122:224290,CN(C(=O)c1cccc(-c2ccc(Cl)cc2OCCN2CCOCC2)c1)C1CCOCC1,BJDWBPDVYMNPMU-UHFFFAOYSA-N
-rxn:4:190227:224828,CCOc1cc(OC(F)(F)F)cc(-c2cc(S(C)(=O)=O)ccc2CN2CCOCC2)c1F,FNJGQCDAXQQVQI-UHFFFAOYSA-N
-rxn:4:190228:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)C2CC2)cc1,XERYTJDRDGPVRA-UHFFFAOYSA-N
-rxn:4:190231:223579,COc1c(Cl)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,ABXHZTHTEPUAIJ-UHFFFAOYSA-N
-rxn:4:190266:223997,Cc1cc(-c2ccc(F)cc2CC(=O)N2CCCC(C)C2)cc(C)c1S(=O)(=O)N1CCOCC1,PRHZKJCMWLVXGQ-UHFFFAOYSA-N
-rxn:4:190322:224459,CCS(=O)(=O)N1CCC(c2ccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cc2)CC1,PEUUJJOYUSJLOO-UHFFFAOYSA-N
-rxn:4:190340:223739,CC(c1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c3ccccc23)c1)N1CCC(C(F)(F)F)CC1,KEDWVFNXMAOEJS-UHFFFAOYSA-N
-rxn:4:190342:224616,CC(c1ccccc1-c1ccccc1OCCN1CCOCC1)N1CCCC(C(F)(F)F)C1,ITKYQVIIPSVIQI-UHFFFAOYSA-N
-rxn:4:190354:223167,Cc1cc(-c2ccnc(N3CCNCC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,WSJOONUVPIUYHD-UHFFFAOYSA-N
-rxn:4:190354:223168,Cc1cc(-c2cccnc2N2CCNCC2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,QBPATBWEJWYXJK-UHFFFAOYSA-N
-rxn:4:190354:224991,Cc1cc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,HOOKNWDYMCTKIZ-UHFFFAOYSA-N
-rxn:4:190354:226211,CC(=O)N1CCc2cc(-c3cc(C)cc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)ccc21,OURULBCYUAWYKC-UHFFFAOYSA-N
-rxn:4:190354:226371,Cc1cc(-c2cnc(N3CCCC3)cc2C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,NDJTYVOLJFQNCA-UHFFFAOYSA-N
-rxn:4:190354:226794,Cc1cc(-c2cnc(N3CCSCC3)nc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,XFOHSGCLXFRYRD-UHFFFAOYSA-N
-rxn:4:190374:222716,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc1S(=O)(=O)N1CCCCC1C,CMKJRHQGOXYPBP-UHFFFAOYSA-N
-rxn:4:190405:222612,O=C(c1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)o1)N1CCSC(c2ccccc2F)CC1,RMAUBLRQYUFPPN-UHFFFAOYSA-N
-rxn:4:190433:226366,Cc1cc(-c2ccnc(N3CCCCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,ABEBNHRNPNBEJD-UHFFFAOYSA-N
-rxn:4:190486:224960,COc1ccc(-c2ccc(C3CCCN3CC3CCCCC3)cc2)cc1OC1CCCC1,GCVSVSJVCDUVIX-UHFFFAOYSA-N
-rxn:4:190678:223602,CCOC(=O)C1C=Nc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)ccc2C1=O,FZODRORKNKZGDE-UHFFFAOYSA-N
-rxn:4:190723:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4cc(OC(=O)N(C)C)ccc4c3)cc21,IWCJLZAIKDCCJK-UHFFFAOYSA-N
-rxn:4:190724:223559,CON(C)C(=O)c1ccc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2c1,GDNMNPQSJQIEOQ-UHFFFAOYSA-N
-rxn:4:190749:223813,COCCN1C(=O)CCc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)ccc21,ANLYJEFGFIPHLE-UHFFFAOYSA-N
-rxn:4:190772:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)cc2)cc1,USUXHXSFBKGDKY-UHFFFAOYSA-N
-rxn:4:190776:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1,QATJJICAIDXKRA-UHFFFAOYSA-N
-rxn:4:190817:223528,COC(=O)CN1C(=O)C(C)(C)c2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,MQOZVDRCIKERGX-UHFFFAOYSA-N
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-rxn:4:190871:224317,COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)c2c1CCN(C(=O)C(F)(F)F)CC2,KXZYGTHTGCGDMJ-UHFFFAOYSA-N
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-rxn:4:191173:226432,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5ccc(C6CCCC6)nc5F)c4)cc1c32,CWGHPYADVJWENF-UHFFFAOYSA-N
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-rxn:4:193888:224975,CCN1CCN(c2ccc(-c3cc(C)cc(S(=O)(=O)N4CCC(F)(F)CC4)c3)cc2)CC1,MIBXJDHGGGVHEB-UHFFFAOYSA-N
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-rxn:4:193888:225312,Cc1cc(-c2cnc(N3CCCN(C)CC3)nc2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,CRANRAJTZDXCSS-UHFFFAOYSA-N
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-rxn:4:202352:226499,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cccn2C(=O)OC(C)(C)C)CC3)ccc1F,GFYNIBCMIOSILO-UHFFFAOYSA-N
-rxn:4:202356:223279,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cnc(C2CCCN2)nc1,AMJNUHNPNFBFGH-UHFFFAOYSA-N
-rxn:4:202383:223540,CCOC(=O)c1nc2ccc(C(F)(F)F)cn2c1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,OCBCJQWHAFCREQ-UHFFFAOYSA-N
-rxn:4:202518:222908,CC(C)[C@H]1c2nc(-c3cncc(NC(=O)OC(C)(C)C)c3)sc2CN1C(=O)OC(C)(C)C,LALIVIFRVGFOHN-SFHVURJKSA-N
-rxn:4:202602:222584,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3)N2C1=O,OMUAGGVZQUYREL-UHFFFAOYSA-N
-rxn:4:202662:223168,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3cccnc3N3CCNCC3)c2)N2C(=O)C(C)SC2=N1,AUQMQXNXEINFHG-UHFFFAOYSA-N
-rxn:4:202807:222845,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(C)N3CCNCC3)cc2)cc1,UYKNIDVOPSNPFY-UHFFFAOYSA-N
-rxn:4:202970:223602,CCOc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1[N+](=O)[O-],HJVARSCKZBULQX-UHFFFAOYSA-N
-rxn:4:203243:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(Cl)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,NJQLNQVXFLTRKV-UHFFFAOYSA-N
-rxn:4:203462:223683,COc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc(N2CCC2)c1[N+](=O)[O-],PTCGRPBKGZLOAD-UHFFFAOYSA-N
-rxn:4:203531:224312,CSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)cc1,IZRCBZIBFDXCKU-UHFFFAOYSA-N
-rxn:4:203531:224368,CSC1=NCCN1S(=O)(=O)c1ccc(-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)cc1,PSBINQNOKRJABS-UHFFFAOYSA-N
-rxn:4:203650:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(C#N)CC4)cc3F)c2)CC1,DSUKQQNHKIPTLL-UHFFFAOYSA-N
-rxn:4:203664:223712,COc1ccc(-c2cccc(CC3CCN(C(C)=O)C3)n2)cc1C12CC3CC(CC(C3)C1)C2,DDFHSTXMIUKNKA-UHFFFAOYSA-N
-rxn:4:203712:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,ZDNGDRNWVATNTG-UHFFFAOYSA-N
-rxn:4:203712:226828,Cc1cc(Cl)c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1C(F)(F)F,GNXXEFHJDZJUIP-UHFFFAOYSA-N
-rxn:4:203731:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,FWSSAJJZKQXKIN-UHFFFAOYSA-N
-rxn:4:203739:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(N4CCN(CC(F)(F)F)CC4)cc3)cc2)C1,WURSPXAZPRZNAT-UHFFFAOYSA-N
-rxn:4:203760:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])cc2F)s1,XQUOHKHKCXJCEL-UHFFFAOYSA-N
-rxn:4:203775:223568,COC1CCN(S(=O)(=O)c2cncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)CC1,WDSMOZBUIOPDKU-UHFFFAOYSA-N
-rxn:4:203780:225202,CC(=O)N1CCN(C(=O)c2cc(-c3cc(C4CCC4)cc(C(F)(F)F)c3)ccc2F)CC1,KEIZWDADRSRTOF-UHFFFAOYSA-N
-rxn:4:203799:224190,COc1ccc(-c2cccc(CC3CCCN(C(C)=O)C3)n2)cc1O[Si](C)(C)C(C)(C)C,ZOZRWLCPAFLCTG-UHFFFAOYSA-N
-rxn:4:203903:224991,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)nc(N4CCCC4)c3)cc2F)CC1,RYAMOGAGRSPAQS-UHFFFAOYSA-N
-rxn:4:203909:225827,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccnc(N3CCN(C)CC3)c2)CC1,TUOFSLVFZYEROE-UHFFFAOYSA-N
-rxn:4:203937:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1S(=O)(=O)NC1CCCCC1,TVIOQFQDKKWEAD-UHFFFAOYSA-N
-rxn:4:203968:224330,CN(C)C1CCN(C(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)c(F)c2)CC1,JRAWQAJXPDIYFK-UHFFFAOYSA-N
-rxn:4:203976:226423,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(Cl)c(N4CCCC4)c3)cc2Cl)CC1,XEUIJAFJNXULNE-UHFFFAOYSA-N
-rxn:4:204014:225367,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(F)(F)CC4)nc3)c2)CC1,ODNHADFONHHNCF-UHFFFAOYSA-N
-rxn:4:204025:225233,CC1CCCN(c2cc(-c3ccc(CN4CCN(C)CC4)c(S(C)(=O)=O)c3)cnc2Cl)C1,YYEZGZRLZZNBKS-UHFFFAOYSA-N
-rxn:4:204025:225313,CN1CCN(Cc2ccc(-c3ccc(N4CCN(C)CC4)nc3F)cc2S(C)(=O)=O)CC1,YBCBQNCXANWUQL-UHFFFAOYSA-N
-rxn:4:204026:224462,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(C3CCN(C4CC4)CC3)cc2)CC1,UUDZBYPAWJYLTN-UHFFFAOYSA-N
-rxn:4:204027:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)c1,PWPWLXLTZVYWIJ-QHCPKHFHSA-N
-rxn:4:204027:225805,CC(c1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)s1)N1CCOCC1,ROARXUYNSWVIHL-OYKVQYDMSA-N
-rxn:4:204033:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5CCCC5)C4)c3)c(F)c2)C1,ZZNNRMXJKXHEDZ-UHFFFAOYSA-N
-rxn:4:204037:225126,CN(C)C1CCN(c2ccc(C(F)(F)F)c(-c3cc(F)ccc3OCC3CCCO3)c2)CC1,XOGHAMFIWREXRP-UHFFFAOYSA-N
-rxn:4:204046:225047,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cnc1N1CCC(C)CC1,BRNDOSOEBDEENE-UHFFFAOYSA-N
-rxn:4:204052:224570,COc1c(-c2ccc(C(C)N3CCN(C)CC3)cc2)cccc1N1CCN(C(C)C)CC1,GZPKJWDWGLDXPL-UHFFFAOYSA-N
-rxn:4:204054:225890,C[Si](C)(C)CCOCn1cc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)cn1,PTUALGOZXNZMCN-UHFFFAOYSA-N
-rxn:4:204057:223923,CN(C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)ccc1F)C1CCCCC1,UJBRJENFRGCEAD-UHFFFAOYSA-N
-rxn:4:204066:222813,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)c1,NOTCRLHAHXGANP-UHFFFAOYSA-N
-rxn:4:204073:226423,CC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)c(N4CCCC4)c3)c(C)cc2C)CC1,PDFMCDPCICKGEV-UHFFFAOYSA-N
-rxn:4:204075:226420,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(F)c(N4CCCC4)c3)cc2C)CC1,MVRJQCZWPXHLBU-UHFFFAOYSA-N
-rxn:4:204075:226423,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(Cl)c(N4CCCC4)c3)cc2C)CC1,RJWOLVUDFVQURS-UHFFFAOYSA-N
-rxn:4:204080:223918,Cc1cc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C,PJIULWRCHCWNDJ-UHFFFAOYSA-N
-rxn:4:204116:225724,CN(C)CCOc1ccc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)cc1F,JVUOTRYYKZCHCD-UHFFFAOYSA-N
-rxn:4:204118:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccccc1C(=O)N1CCCN(C2CCSC2)CC1,YLMCJGRZYWHPJZ-UHFFFAOYSA-N
-rxn:4:204145:222699,Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(C5CCCNC5)c(C(F)(F)F)c4)c3)CC2)c(C)c1,AATNEOJYUQSQFF-UHFFFAOYSA-N
-rxn:4:204158:224991,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(C5CC5)nc(N5CCCC5)c4)cc3Cl)CC2)cc1,ZJASYMYTQIJKCS-UHFFFAOYSA-N
-rxn:4:204176:226504,CON(C)C(=O)c1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc1,KPCCVARKEYUDSW-UHFFFAOYSA-N
-rxn:4:204184:226366,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccnc(N2CCCCC2)c1,ATMPZXAOEAWYHK-UHFFFAOYSA-N
-rxn:4:204358:223559,COC(=O)Cn1ncc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2c1=O,TZJSJGVMCVJHJO-UHFFFAOYSA-N
-rxn:4:204514:222675,COc1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,NCKROBHNGALPRX-UHFFFAOYSA-N
-rxn:4:204544:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCO3)c1,NNPHXJPFHPYZFW-UHFFFAOYSA-N
-rxn:4:204544:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(n3)N(C(=O)OC(C)(C)C)CCO4)c(F)ccc21,BGRYQIUFBYXHFN-UHFFFAOYSA-N
-rxn:4:204647:225337,CC(C)(C)OC(=O)N1CCOc2c(cncc2-c2cc(F)cc(COCC(F)(F)F)c2)C1,ANVNVPQLIWNGAY-UHFFFAOYSA-N
-rxn:4:204689:227234,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cccc(OCC)c3C#N)ccc21,IQQJBOYHSIGYBP-UHFFFAOYSA-N
-rxn:4:204780:223178,CONC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,PHYBIDQYLYWFHO-UHFFFAOYSA-N
-rxn:4:204780:223288,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,RITZUMQDYHOAOJ-UHFFFAOYSA-N
-rxn:4:204799:223184,O=C(C1=CN(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,SASQHILXTJYRQW-UHFFFAOYSA-N
-rxn:4:204807:223774,COc1cccc2c1cc(-c1ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(C)cc3)cc1)n2C(=O)OC(C)(C)C,JKEJUCHOJAVRTO-UHFFFAOYSA-N
-rxn:4:204809:225170,O=C(C1=CN(c2cccc(-c3cc(F)ccc3CN3CCOCC3)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1,BHTJVXRRNINXDY-UHFFFAOYSA-N
-rxn:4:204879:222524,CCOC(=O)c1cc2n(n1)CCOc1cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)ccc1-2,BAVVRPKHINCGOP-UHFFFAOYSA-N
-rxn:4:204955:227091,COc1ccc(C2=NN3C(C2)c2cc(-c4cncc(C5CCCC5)c4)ccc2OC3C2CCCCC2)cc1,RQFXTKLBZAOYJA-UHFFFAOYSA-N
-rxn:4:205025:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C#N)c([N+](=O)[O-])c3)c(F)c2)CC1,CMKBAXAPYNSOQI-UHFFFAOYSA-N
-rxn:4:206195:223534,Cc1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cnc1C(=O)N1CCC1,HALQFFJDDVFRBI-UHFFFAOYSA-N
-rxn:4:206248:222612,N#Cc1c(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cccc1N1CCC(F)(F)C1,RMWQRWZVLRLGPO-UHFFFAOYSA-N
-rxn:4:206407:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CC=CCC4)c3)c(F)cc2C)CC1,JBGDXADWAMYUDG-UHFFFAOYSA-N
-rxn:4:206448:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,LNQKMIGWJQSSQM-UHFFFAOYSA-N
-rxn:4:206489:223748,COc1nc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cn1C1CCCCO1,QOFGIRTVTDMLTQ-UHFFFAOYSA-N
-rxn:4:206522:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCSCC3)nc2)CC1,PURGYJSXSNWUDE-UHFFFAOYSA-N
-rxn:4:206612:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)N4CCCCC4)c(F)cn3)c3ccccc23)CC1,CSAYUUZBABSAIC-UHFFFAOYSA-N
-rxn:4:206634:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCC(F)(F)CC2)c(C#N)c1,NNJGRSBDKMLFJI-UHFFFAOYSA-N
-rxn:4:206647:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(N4CCCC(F)(F)C4)c(C#N)c3)c2)C1,AXHZZWCGSHHSEZ-UHFFFAOYSA-N
-rxn:4:206759:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,AKIIVFBHJBWOSE-UHFFFAOYSA-N
-rxn:4:206945:223574,Cc1nc(C2CCCN(S(C)(=O)=O)C2)sc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,HFDGCAUBIZMZSY-UHFFFAOYSA-N
-rxn:4:206958:224395,CC1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cn2)CC1,BQBHTPRVCVROLL-UHFFFAOYSA-N
-rxn:4:206959:222723,CS(=O)(=O)N1CCN(c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)CC1,AMCNQHYVJYQDEH-UHFFFAOYSA-N
-rxn:4:206981:224326,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)ccc1S(=O)(=O)N1CCCCC1,CDPUKRNPNKBQMP-UHFFFAOYSA-N
-rxn:4:206981:224770,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)cc(S(=O)(=O)N2CCCC2)c1,OLTMYDHLPPZBKB-UHFFFAOYSA-N
-rxn:4:206981:224771,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)cc1S(=O)(=O)N1CCCC1,AVQDPDVJOWLEJD-UHFFFAOYSA-N
-rxn:4:207026:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)c1,VWKFTRKOXOYVHP-UHFFFAOYSA-N
-rxn:4:207059:224403,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCOCC2)c(C(F)(F)F)c1,IUSOTGRLIGAHAI-UHFFFAOYSA-N
-rxn:4:207059:224810,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,RJRFJQBEFAQFRZ-UHFFFAOYSA-N
-rxn:4:207062:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C,QZWMCSLDIVPQPN-UHFFFAOYSA-N
-rxn:4:207062:224403,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCOCC2)c(C(F)(F)F)c1,MRTYRRFGBJAVNN-UHFFFAOYSA-N
-rxn:4:207075:223698,CC1CCN(c2nc(-c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)cs2)CC1,INWSPTWYVKCIJN-UHFFFAOYSA-N
-rxn:4:207082:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(N3C(=O)CC(N4CCCCC4)C3=O)cc2)c1,LVIJLKZQHGGYGZ-UHFFFAOYSA-N
-rxn:4:207085:225232,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(Cl)c(N2CCC(C)CC2)c1,HPPLWZKIUCLQIT-UHFFFAOYSA-N
-rxn:4:207619:224018,N#CC1=CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2S1(=O)=O,RPXMWWQZAQTORX-UHFFFAOYSA-N
-rxn:4:207736:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,DMRZDFRITTVIFF-UHFFFAOYSA-N
-rxn:4:207848:223525,Cc1cccc(N2C(=O)N(c3cccc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)C3CS(=O)(=O)CC32)c1,YGUKIMWEIPSRKL-UHFFFAOYSA-N
-rxn:4:207854:222913,O=S(=O)(NCc1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1)C1CC1,VUVSJYNZKXVIPX-UHFFFAOYSA-N
-rxn:4:207890:225191,Cc1c(-c2cnc(OC3CCCCC3)cc2F)cnn1CC12CC3CC(CC(C3)C1)C2,KWGNFHSHUZJJSI-UHFFFAOYSA-N
-rxn:4:207959:225605,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)cnc4OC4CCCC4)ccc2OC3C2CCCCC2)cc1,LLXNXYQPQIYPKX-UHFFFAOYSA-N
-rxn:4:207965:225215,COc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(N5CCC(C)CC5)c4Cl)ccc2OC32CCC(C)CC2)cc1,IONSUJZWSFJUMM-UHFFFAOYSA-N
-rxn:4:209773:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ncccc3N3CCCC(F)(F)C3)c2)CC1,ZQWVLFUJNHMMBN-UHFFFAOYSA-N
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-rxn:4:209880:223992,Cc1ccc(-c2ccc(N3CCC(F)(F)CC3)nc2C)cc1S(=O)(=O)N1CCN(C)CC1,VMTYTULSUNYTKF-UHFFFAOYSA-N
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-rxn:4:213194:224750,Cn1cc(C2CCCN(C(=O)CCc3ccccc3-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)C2)cn1,ROQWRIDNDYDEOH-UHFFFAOYSA-N
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-rxn:4:213217:222826,CCN1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2C(=O)OC(C)(C)C)CC1,AHRHWUFAUXFTSB-UHFFFAOYSA-N
-rxn:4:213217:225827,CCN1CCN(c2ncc(-c3ccnc(N4CCN(C)CC4)c3)cc2C(=O)OC(C)(C)C)CC1,OCONMRQCGHMXAK-UHFFFAOYSA-N
-rxn:4:213218:224883,CC(c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)cc1)N1CCCCC1,SUZJUIZCQVVVCJ-NQCNTLBGSA-N
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-rxn:4:213249:224132,CN(C)c1cccc(C(=O)N2CCC(Oc3ncccc3-c3ccccc3C(=O)N(C)C3CCCCC3)CC2)c1,DQGNFLDXIPLSEY-UHFFFAOYSA-N
-rxn:4:213268:222636,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,AZTZUHSNYUYVEZ-ISCCLHIJSA-N
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-rxn:4:213281:228097,CN(C)Cc1cncc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1,GNVGSXZVUVLRAM-UHFFFAOYSA-N
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-rxn:4:213396:225907,CCCc1ncc(-c2ccc3c(ccn3CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2)cc1C(F)(F)F,AMSZMAAKQOROKM-UHFFFAOYSA-N
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-rxn:4:213458:224333,COc1ccc(-c2cccc(-c3cc(C(F)(F)F)ccn3)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,SRVZCEDLIHKCIN-WRVRXEDSSA-N
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-rxn:4:213475:222744,COc1cc(-c2ccccc2CNC(=O)OC(C)(C)C)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,LADSIGVJKUCCGR-NKPJMNAQSA-N
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-rxn:4:213480:222957,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C)cc(C5CCCNC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ONHOGRMVYWZTCD-YKJUYZJUSA-N
-rxn:4:213480:224403,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCOCC5)c(C(F)(F)F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HXGJCRKMZQZCOH-UCKIBBKRSA-N
-rxn:4:213480:224746,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KURQAHKAJPXVPW-NGNDDVQRSA-N
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-rxn:4:213571:223815,Clc1ccc(-c2cnc(OCCN3CCCC3)nc2)cc1CN1CCC2(CC1)OCCO2,JAVZZOQZAPFBBA-UHFFFAOYSA-N
-rxn:4:213580:223784,CCN1CCN(CCOc2ccc(-c3cnn(CC4CCN(CC(F)F)C4)c3)cc2F)CC1,MTIOGNVGASVPCP-UHFFFAOYSA-N
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-rxn:4:213693:226844,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,HYDTXDODRWFXTG-UHFFFAOYSA-N
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-rxn:4:213755:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,VNAZKAHIZNQZDQ-UHFFFAOYSA-N
-rxn:4:213757:225010,CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3ccc(F)c(CN4CCCCC4)c3)n2)C1,SEIKXHGJHYYBRJ-UHFFFAOYSA-N
-rxn:4:213796:224885,CC1CCN(Cc2ccccc2-c2cnn(CC3CN(CC4CCOCC4)C3)c2)CC1,UYGLRNDIOYXOMG-UHFFFAOYSA-N
-rxn:4:213798:223647,COc1cc(COc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2Cl)cc(OC)c1,ALKPDIZJPZJXMZ-UHFFFAOYSA-N
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-rxn:4:213803:225172,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cc(CN3CCOCC3)ccc2F)cn1,CSVCMDNELMVSSA-UHFFFAOYSA-N
-rxn:4:213878:223057,CC(C)(C)OC(=O)N1CC2(CC(n3cc(-c4cc(Cl)nc(C5CCCNC5)c4)cn3)C2)C1,RKTFJRMLBNIFKU-UHFFFAOYSA-N
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-rxn:4:213884:224171,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(OCCCN4CCCC4)c(F)c3)n2)CC1,GSEKAJGZSBDPDG-UHFFFAOYSA-N
-rxn:4:213890:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ncn2)c1,AYLYUUJFACGYSE-UHFFFAOYSA-N
-rxn:4:213903:223812,O=C(c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)n1)N1CCN(Cc2ccccc2)CC1,YWCDHHSRXZFEFU-UHFFFAOYSA-N
-rxn:4:213932:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)c(Cl)c2)CC1,HQIJGRYHIFOGMB-UHFFFAOYSA-N
-rxn:4:213945:223079,CC(C)NS(=O)(=O)c1cccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)c1,BKZYQPSXJLYBDJ-UHFFFAOYSA-N
-rxn:4:213946:225105,CCN(CC)C(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1F,JMQFWIGSQOBGFQ-UHFFFAOYSA-N
-rxn:4:213948:225425,CCCCCOc1ccc(C)cc1-c1cnc(OC2CCN(CC3CCCC3)CC2)nc1,KQZKVJIHOQITTE-UHFFFAOYSA-N
-rxn:4:213948:225632,CN1CCN(c2cccc(-c3cnc(OC4CCN(CC5CCCC5)CC4)nc3)c2)CC1,UPUAPSFVRNOWLN-UHFFFAOYSA-N
-rxn:4:213983:226844,CC1CN(C(=O)OC(C)(C)C)CCC1c1cnc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,UVFDDRQFMGVRDL-UHFFFAOYSA-N
-rxn:4:213989:226371,Cc1cc(N2CCCC2)ncc1-c1cnc(OCC2CCCN(C3CCOCC3)C2)nc1,SPZABGCTOSUHTG-UHFFFAOYSA-N
-rxn:4:214027:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,IBFVUMXFCDPTKH-UHFFFAOYSA-N
-rxn:4:214033:227704,COc1cnc(C(F)F)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,AQMTUTRQGBACCO-WOJBJXKFSA-N
-rxn:4:214033:228022,CC(C)c1ccc(Cl)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,ATDAEWICXUAHBF-DNQXCXABSA-N
-rxn:4:214037:222848,CCc1cc(-c2ccc(N3CC(C(=O)N4CCN(S(C)(=O)=O)CC4)CC3=O)cc2)cc(C2CCCNC2)n1,ZNJQUJSCRXWLBZ-UHFFFAOYSA-N
-rxn:4:214047:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2C)cc1,UDCHHHDSVAPPHH-UHFFFAOYSA-N
-rxn:4:214058:225726,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)cc1OC,NBYMPVLWCYYJCR-UHFFFAOYSA-N
-rxn:4:214153:222729,CCCc1cc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc(C2CCCNC2)n1,ROTPMVPYHFLWBO-UUSAFJCLSA-N
-rxn:4:214153:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc1,XOHNYZJTWXXEAA-MRXNPFEDSA-N
-rxn:4:214270:223813,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1)N1CCC(Oc2cccc3cccnc23)CC1,NJECHZLSFTZJOU-UHFFFAOYSA-N
-rxn:4:214292:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)c1,IGDYYKHHSBFFNX-ZJVHSOCCSA-N
-rxn:4:214298:224634,COc1ccc(-c2nc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)c(C(C)C)s2)cc1CN1CCOCC1,CHTQJIZZUUORQE-UHFFFAOYSA-N
-rxn:4:214339:222926,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cnc(N6CCCC(O)C6)nc5C)ccc43)C2=O)cc1,BFRUWKCIJCBVPU-UHFFFAOYSA-N
-rxn:4:214706:223993,Cc1cc(-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)ccc1S(=O)(=O)N1CCN(C)CC1,NYJYFAXXSALETL-UHFFFAOYSA-N
-rxn:4:214710:224782,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CC1,SUCWNVYKJIPNBO-UHFFFAOYSA-N
-rxn:4:214711:224325,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,MAVFULXLROKXIT-UHFFFAOYSA-N
-rxn:4:214772:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(CC3CCCN(S(C)(=O)=O)CC3)cn2)CC1,WMWOIYIHMWLABF-UHFFFAOYSA-N
-rxn:4:214804:225093,CCCOc1c(Cl)cc(-c2cnccc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCC,XJHGUPQTWQDMSS-UHFFFAOYSA-N
-rxn:4:214818:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,LNUNMXKHQMBFLQ-UHFFFAOYSA-N
-rxn:4:214830:226231,CCCCOc1ncc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1C,XAJIASWVKWOOHJ-UHFFFAOYSA-N
-rxn:4:214835:226474,CN(C)CCOc1cncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,AJQWRHGFSGXLBD-UHFFFAOYSA-N
-rxn:4:214836:228296,CCOC(=O)c1occc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,FDAMIWFQDFIOBS-UHFFFAOYSA-N
-rxn:4:214855:223003,Clc1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1C1CCNCC1,JZZUPUDUYQNPMO-UHFFFAOYSA-N
-rxn:4:214859:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)cc1S(=O)(=O)NC1CCCC1,OIELRQITTWEQLZ-UHFFFAOYSA-N
-rxn:4:214862:225518,CCCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,KGSOQWGSFZXFSZ-UHFFFAOYSA-N
-rxn:4:214866:226231,CCCCOc1ncc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1C,YUWLXNJFRMZHNK-UHFFFAOYSA-N
-rxn:4:214867:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,AXXAVCDHCFAKKO-UHFFFAOYSA-N
-rxn:4:214868:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,WNPFZLYXIKNNRX-UHFFFAOYSA-N
-rxn:4:214870:223156,CCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,CVIIOUZPYKVGPM-UHFFFAOYSA-N
-rxn:4:214888:225947,CN1CCN(c2ncc(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)cn2)CC1,JGQZPCBLKQPOIS-UHFFFAOYSA-N
-rxn:4:215054:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,SBWCPDFKFMGALX-UHFFFAOYSA-N
-rxn:4:215102:222945,CC(C)NS(=O)(=O)c1ccc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)cc1F,HHQYCPUTQXMZKO-UHFFFAOYSA-N
-rxn:4:215105:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,LJOCVAJALVQCKL-UHFFFAOYSA-N
-rxn:4:215189:225277,COC(=O)c1c(OC)cc(-c2ccc3nc(N4CCN(C(=O)C(C)(C)C)CC4)sc3c2)cc1OC,FLKVOLUWRFWTNF-UHFFFAOYSA-N
-rxn:4:215216:223166,O=C(C1CCCN(c2nc3ccc(-c4ccc(N5CCNCC5)nc4)cc3s2)C1)N1CCOCC1,LPAJSUFUUFAKFF-UHFFFAOYSA-N
-rxn:4:215216:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)sc4c3)c2Cl)CC1,XALSEQIMIFHLCI-UHFFFAOYSA-N
-rxn:4:215216:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)sc4c3)c(F)c2)CC1,HWVGMDMIUYIYLR-MKAXWDIPSA-N
-rxn:4:215301:225596,Clc1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cc1CN1CCCC1,OWGRYYCAIVKZLH-UHFFFAOYSA-N
-rxn:4:215617:223492,Cc1cc(-c2ccnc(OC3CN(C)C3)n2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OSICOQZVZGMMNE-UHFFFAOYSA-N
-rxn:4:215704:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOCC4)c(C#N)c3)c2Cl)CC1,HRTTVCLFXQVHFW-UHFFFAOYSA-N
-rxn:4:215780:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(F)(F)CC2)c(C#N)c1,VNQZPFPGRJIHBF-UHFFFAOYSA-N
-rxn:4:215780:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(F)(F)CC2)c(C#N)c1,HRRZEBBDZOLDPJ-UHFFFAOYSA-N
-rxn:4:215780:224326,Cc1cc(-c2cnc(N3CCC(F)(F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCCCC1,OZUZJSIZLDNMSG-UHFFFAOYSA-N
-rxn:4:215802:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,CEQMNCJCQZRWTN-UHFFFAOYSA-N
-rxn:4:215823:223712,COc1ccc(-c2cnc(N3CCCCC3)nc2OC)cc1C12CC3CC(CC(C3)C1)C2,KQCSLXSYFPFWTB-UHFFFAOYSA-N
-rxn:4:215837:222466,CCN1CCC(n2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,UGPCEPGXTQHYMP-UHFFFAOYSA-N
-rxn:4:215857:223583,COC(=O)c1ccc2c(-c3ccc(C#N)c(N4CCN(C)CC4)c3)cn(C(=O)OC(C)(C)C)c2c1,VVDIRNDGAQCEOX-UHFFFAOYSA-N
-rxn:4:215865:224325,CN1CCN(C(=O)c2ccc(F)c(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)n2)CC1,GKQRQHZIKUELNR-UHFFFAOYSA-N
-rxn:4:215904:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)ccc1Cl,YPZYNCHPEFZUCY-UHFFFAOYSA-N
-rxn:4:215913:224770,Cc1cc(-c2cnc(N3CCN(C)CC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC2)c1,YLIKJQHGZQQUIC-UHFFFAOYSA-N
-rxn:4:215914:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,WQJBILZVZNSMBS-UHFFFAOYSA-N
-rxn:4:215914:222826,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,OQXJYKOOYKYHIP-UHFFFAOYSA-N
-rxn:4:215914:224773,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)ccc1S(=O)(=O)N1CCCC1,MJTJDXXXQAJEDE-UHFFFAOYSA-N
-rxn:4:215942:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ncccc3N3CCC(N(C)C)CC3)c2)CC1,YJUODMVIQPAVMT-UHFFFAOYSA-N
-rxn:4:215953:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCC(N(C)C)CC4)nc3)c2)CC1,KWKMTHYYJITNNN-UHFFFAOYSA-N
-rxn:4:215955:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnccc3N3CCC(N(C)C)CC3)c2)CC1,GIFKLJYYGIECPK-UHFFFAOYSA-N
-rxn:4:216219:223712,COc1ccc(-c2cnc(OC3CC4CCC(C3)N4C)nc2)cc1C12CC3CC(CC(C3)C1)C2,HLRRREKYXAMXMC-UHFFFAOYSA-N
-rxn:4:216220:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc4c3nnn4CC3CCCCC3)c(F)c2)CC1,IOMZAADGLONCOD-AFARHQOCSA-N
-rxn:4:216231:224193,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1ccc(F)c(CN2CCN(CC)CC2)c1,LYXNOEZVBHHVKH-UHFFFAOYSA-N
-rxn:4:216319:224660,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)ccc3S2(=O)=O)n1,SBJHDRRCECIVCS-UHFFFAOYSA-N
-rxn:4:216319:225869,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCOCC5)c(Cl)c4)ccc3S2(=O)=O)n1,ZUSFZEYEONNQSR-UHFFFAOYSA-N
-rxn:4:217197:222465,CC1CCCCN1c1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(Cl)n1,LWWDFHPHFYQIEA-UHFFFAOYSA-N
-rxn:4:217215:222466,Cc1nc(N2CCC(C)CC2)ncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,ZAFBRFCPZZBMJU-UHFFFAOYSA-N
-rxn:4:217809:223480,Cc1cc(-c2cc3c(cc2S(N)(=O)=O)n(C)c(=O)n3C)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KUACZQRTVAGZEP-UHFFFAOYSA-N
-rxn:4:217889:224498,CCN1CCN(Cc2ccccc2-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)CC1,KNACJNVFYUTMTE-UHFFFAOYSA-N
-rxn:4:217902:222394,CC1(C)CC(C)(C)c2c1c([N+](=O)[O-])c1cn[nH]c1c2-c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1,PJJUARYSSDSDCD-IYARVYRRSA-N
-rxn:4:217902:222589,CC1(C)CC(C)(C)c2c1c([N+](=O)[O-])c1cn[nH]c1c2-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,XSAGPNVUUJVUTJ-UHFFFAOYSA-N
-rxn:4:218586:225167,N#Cc1ccc(CN2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCCC5)c4)cn3)C2)c(F)c1,ZZLZHIBQJUVTOC-UHFFFAOYSA-N
-rxn:4:218587:224953,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(OCC5CCCCC5)nc4)cn3)CC2)cc1,MVULWXWNJCWMGY-UHFFFAOYSA-N
-rxn:4:218588:224763,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cc(Cl)ccc3C(=O)N3CCOCC3)cn2)CC1,ZIXIMBRVIKUWPP-UHFFFAOYSA-N
-rxn:4:218641:222968,CC(C)CNC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc1,YOCRGSUPBVEZBQ-UHFFFAOYSA-N
-rxn:4:218652:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cnc(N(C)CC4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)C1,JVHTWGUDUABRHD-UHFFFAOYSA-N
-rxn:4:218675:225156,O=C(c1ccc(F)c(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)c1)N1CCCC1,YJNWVAXSWUUYIX-UHFFFAOYSA-N
-rxn:4:218682:222634,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)CC1,GKJALUCIHIHCJP-UHFFFAOYSA-N
-rxn:4:218682:224759,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)CC1,MDXLFDOGBWHDAM-UHFFFAOYSA-N
-rxn:4:218682:226297,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(COC(C)C)c4)cn3)C2)CC1,FCVUXZBNRKVKJW-UHFFFAOYSA-N
-rxn:4:218687:224193,CCN1CCN(Cc2cc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)c3)ccc2F)CC1,OARWNNSUMOBHHJ-UHFFFAOYSA-N
-rxn:4:218709:222948,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4)n[nH]3)CC2)c1,RQPLASGXTFXVNG-UHFFFAOYSA-N
-rxn:4:218711:226878,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnn(-c4cc(Cl)ncn4)c3)CC2)CC1,HRNXEIDSVMKJCY-UHFFFAOYSA-N
-rxn:4:218711:227725,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4ccnc4)nc3)CC2)CC1,PILJBAKIXNGIES-UHFFFAOYSA-N
-rxn:4:218754:226105,CC(C)(C)OCc1ccc(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)cc1,ZKCUQJPROIXVJD-UHFFFAOYSA-N
-rxn:4:218775:229324,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(Cl)cs4)ccc32)CC1)N1CCCCCC1,WQVUIUORLAQXMK-UHFFFAOYSA-N
-rxn:4:218813:224877,CN(CC1CN(c2ncc(-c3ccc(COC4CCCCC4)cc3)cn2)C1)C(=O)C1CC1,HBDQRUYSRDPJEI-UHFFFAOYSA-N
-rxn:4:218824:222773,CN(CC1CN(c2ncc(-c3ccc(C(=O)NC4CCOCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,JISOOLPBIRHYJV-UHFFFAOYSA-N
-rxn:4:218847:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OC2CCN(C(=O)c3cccnc3OC)C2)nc1,RZMBQZUQYFBXPD-UHFFFAOYSA-N
-rxn:4:218855:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cnn(CC4CN(C(=O)c5cc(-c6ccccc6)on5)C4)c3)cc12,NPXZKNIKJCBGMQ-UHFFFAOYSA-N
-rxn:4:218857:224247,CC1CCN(C(=O)c2ccc(-c3cnccc3OC3CCN(C(=O)c4cn(C)nc4C(F)F)C3)c(F)c2)CC1,QODXPDDAILIOFH-UHFFFAOYSA-N
-rxn:4:218867:225803,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCOCC4)c3)c2)no1,MUGNEKJOCVHLCB-UHFFFAOYSA-N
-rxn:4:218867:225882,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(C4CCOCC4)c3)c2)no1,WQBBROINTNQNFW-UHFFFAOYSA-N
-rxn:4:218867:226427,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCC(C)CC4)cs3)c2)no1,ORCLWFYAKINLOW-UHFFFAOYSA-N
-rxn:4:218868:225641,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCCC(C)C4)c3)cc2)no1,VKDRFAKUARCOJC-UHFFFAOYSA-N
-rxn:4:218876:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2CCC(Oc3cncc(N(C)C)n3)C2)o1,SVTJBVTYMHAZPK-UHFFFAOYSA-N
-rxn:4:218886:224327,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)cn2)C1,MQOJHACFJOLOGZ-UHFFFAOYSA-N
-rxn:4:218888:223945,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,IZAYMCQQBZAHRO-UHFFFAOYSA-N
-rxn:4:218903:225977,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOCC3)cc2C#N)CC1,XMUYJCMNLTYDIR-UHFFFAOYSA-N
-rxn:4:218922:225221,CC1CCCN(c2cc(-c3cnc(OCC4CCN(c5ncccc5C(F)(F)F)CC4)nc3)c(F)cn2)C1,LRDRXLKNIYTVPO-UHFFFAOYSA-N
-rxn:4:218944:226025,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(OC4CCOC4)nc3Cl)cc2[N+](=O)[O-])CC1,RZZPJKZIFSXBIY-UHFFFAOYSA-N
-rxn:4:218944:226729,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(OC4CCOC4)nc3)cc2[N+](=O)[O-])CC1,XBVWMABKASPVMP-UHFFFAOYSA-N
-rxn:4:218964:228695,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4csc(CN(C)C)c4)cn3)C2)CC1,SNJPWWRTZRVDKS-UHFFFAOYSA-N
-rxn:4:218971:222546,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)s1,CKWSJNJZVYJALY-UHFFFAOYSA-N
-rxn:4:218992:224086,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(OCc5ccccc5C#N)cc4)cn3)C2)CC1,WYWQZNYRCNYEOS-UHFFFAOYSA-N
-rxn:4:218992:225505,CCCCn1ncc2cc(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)ccc21,OUSGIGSCEBXUMS-UHFFFAOYSA-N
-rxn:4:219001:223927,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cc4cccnc4n3COCC[Si](C)(C)C)C2)C(=O)C1=O,FOAGSUIWTASQGH-UHFFFAOYSA-N
-rxn:4:219002:223602,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)c1=O,BFXFARFDKVQYDB-UHFFFAOYSA-N
-rxn:4:219063:222426,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)CC1,LIKTURZEBVSWLC-UHFFFAOYSA-N
-rxn:4:219072:226382,O=C(Cc1nnc(-c2cccc(-c3cnc(C4CCCCC4)nc3)c2)o1)N1CCN(C2CCCCC2)CC1,RDVSZNOQDPZKDA-UHFFFAOYSA-N
-rxn:4:219072:228193,O=C(Cc1nnc(-c2cccc(-c3cnn(C4CCCC4)c3)c2)o1)N1CCN(C2CCCCC2)CC1,NJYNVSYAVUXLNC-UHFFFAOYSA-N
-rxn:4:219120:225744,CC(C)(C)OC(=O)c1cncc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c1,KLZQUMIQMAXLOV-UHFFFAOYSA-N
-rxn:4:219271:224950,COc1ccc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)c(CN2CCCC2)c1,UNLLRQXWEUCCDX-UHFFFAOYSA-N
-rxn:4:219353:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OC2CCN(S(=O)(=O)N(C)C)CC2)nc1,MKOSEZXWFZKCEV-UHFFFAOYSA-N
-rxn:4:219364:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCC(Oc5ncc(Cl)cn5)C4)c3)c2)CC1,DQZMGOIMRILOMW-UHFFFAOYSA-N
-rxn:4:219402:224759,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,OXYVYEDKFVJLMI-UHFFFAOYSA-N
-rxn:4:219419:224018,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)o3)CC2)cc(C(F)(F)F)n1,WTTOJUCJYJOVQG-UHFFFAOYSA-N
-rxn:4:219451:223683,Cn1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,YODQZQHIMZCAMN-UHFFFAOYSA-N
-rxn:4:219501:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,VJTFNMRIQTWTNR-UHFFFAOYSA-N
-rxn:4:219506:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1,BZORSOTUHBNDPE-UHFFFAOYSA-N
-rxn:4:219506:225466,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc1,NQBWCRKOHURESM-UHFFFAOYSA-N
-rxn:4:219521:222943,Cn1nc(C2CCN(C(=O)c3ccc(-c4ccc(F)c(S(=O)(=O)NC5CC5)c4)o3)CC2)n(C2CC2)c1=O,WGVFKIFRYHSXFA-UHFFFAOYSA-N
-rxn:4:219531:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,KBXPOHJVRIYEPX-UHFFFAOYSA-N
-rxn:4:219532:225407,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(C2CCCCCC2)cc1,GXMJMRQGYGGZTJ-UHFFFAOYSA-N
-rxn:4:219534:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2F)CC1,NBIDDBOJNFGJIG-UHFFFAOYSA-N
-rxn:4:219536:223880,Cc1ccc2c(c1)cc(-c1ccc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)o1)n2C(=O)OC(C)(C)C,WMYQBPCDKRHJHA-UHFFFAOYSA-N
-rxn:4:219649:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(OC)cc1CN1N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C31)n2C(=O)OC(C)(C)C,AYTKVHYVRXYTHG-UHFFFAOYSA-N
-rxn:4:219654:225171,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(F)cc(CN5CCOCC5)c4)cc23)CC1,MRTBLSDMXHTOJT-UHFFFAOYSA-N
-rxn:4:219654:225226,CC1CCN(c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c(F)cn2)CC1,IMYPZMGQVUVAEK-UHFFFAOYSA-N
-rxn:4:219654:225898,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cnn(CCN5CCOCC5)c4)cc23)CC1,CKVIKPNWJRTGNG-UHFFFAOYSA-N
-rxn:4:219707:225637,CN1CCN(c2ccccc2-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)CC1,BCBSMSGJCPGENZ-UHFFFAOYSA-N
-rxn:4:219707:226473,CN(C)CCOc1ncccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,UMNBUCGWABLUPU-UHFFFAOYSA-N
-rxn:4:219786:223497,CC(c1ccc(-c2ccc(C(=O)Cn3c(=O)n4nc(-c5ccc(F)cc5)nc4c4ccccc43)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,HYOMSEKUMXHUOB-UHFFFAOYSA-N
-rxn:4:219894:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(n4ccnn4)CC3)c2)CC1,ZGRUSKMKIUZCQI-UHFFFAOYSA-N
-rxn:4:219907:223602,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1,DHBDJGGEPMOHQO-UHFFFAOYSA-N
-rxn:4:219941:223945,COc1cc(N2CCN(c3ncc(Cl)cc3-c3ccc(OCCCN4CCOCC4)c(F)c3)CC2=O)ccn1,QLBMXTYUEGTQNH-UHFFFAOYSA-N
-rxn:4:220136:224396,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1S(=O)(=O)N1CCOCC1,IENZGLQKSXUSCH-UHFFFAOYSA-N
-rxn:4:220141:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc2c(C(=O)N3CCC(N4C(=O)CSC4=O)C3)n(C)nc2c1,KSEHFBBIMHJTLE-UHFFFAOYSA-N
-rxn:4:220202:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4CCC(n5cnc6ncccc6c5=O)CC4)c3)c2)C1,AZJGHJLDUUEXAU-UHFFFAOYSA-N
-rxn:4:220236:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-n4cc(-c5ccccc5)c5c(N6CCCCC6)ncnc54)cc3)cc21,WOFSOXBAHPPTTL-UHFFFAOYSA-N
-rxn:4:220415:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)c(F)c2)CC1,HAGBHSJKUASLNU-UHFFFAOYSA-N
-rxn:4:220430:225061,CC1CCN(c2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c(F)c2)CC1,VZZPJSQIWJJVDM-UHFFFAOYSA-N
-rxn:4:220491:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc3n(n2)CCN(C(=O)C(C)(C)C)C3)cc1,PBKHCUGNTVIMBV-UHFFFAOYSA-N
-rxn:4:220533:222776,OC1CCN(Cc2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c(F)c2)CC1,FAOVVGIJZSYSKQ-UHFFFAOYSA-N
-rxn:4:220546:222602,CC(C)Cc1cc(-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)cc2)c(S(=O)(=O)NC(C)(C)C)s1,JXRAGJFRDOSPFO-UHFFFAOYSA-N
-rxn:4:221088:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnc(OCC4CCCN(Cc5nnc(C(F)(F)F)o5)C4)nc3)c2)C1,SOXIPRJENPLCML-UHFFFAOYSA-N
-rxn:4:221094:225992,CC(C)Cn1cc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c(C(F)(F)F)n1,MTODHQKLPVTRID-UHFFFAOYSA-N
-rxn:4:221110:228683,CCCc1ncc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)cn1,JHLDOOCGAVJZGP-UHFFFAOYSA-N
-rxn:4:221163:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)c(F)c2)CC1,MBRZTDISXPVXQT-UHFFFAOYSA-N
-rxn:4:221163:223838,COc1ccc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1,LCHKUSKALLPIHO-UHFFFAOYSA-N
-rxn:4:221173:222546,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)ccc1=O,MJEJBIZMEAGANW-UHFFFAOYSA-N
-rxn:4:221227:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccc5nccnc5c4)C3)nc2)cc1OCCCN1CCN(C)CC1,XKLUIOASJSDLDV-UHFFFAOYSA-N
-rxn:4:221230:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc(OCC2CCCN(c3nc4c(cc3C#N)CCC4)C2)nc1,IQRKMGRXHLLGSF-UHFFFAOYSA-N
-rxn:4:221232:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2)CC1,DYCUTDZEGPGKDV-UHFFFAOYSA-N
-rxn:4:221299:223592,CSc1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)c(N2CC(Cn3cc(Cl)cn3)C2)n1,LMPRTXBTHLSWAZ-UHFFFAOYSA-N
-rxn:4:221342:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5cnccn5)CC4)nc3)cc2[N+](=O)[O-])CC1,XDOCDVQXUQFYCI-UHFFFAOYSA-N
-rxn:4:221346:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(c5ncncc5F)C4)nc3)cc2C1,XLZIWHISZKQEJZ-UHFFFAOYSA-N
-rxn:4:221369:224718,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)ccc1=O,MMEFORSGKIDLBS-UHFFFAOYSA-N
-rxn:4:221373:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OC3CCCN(C(=O)c4c(C)n[nH]c4C)C3)nc2)CC1,AXCOPFQYWNFZLC-UHFFFAOYSA-N
-rxn:4:221380:222806,CCCNC(=O)c1cc(-c2cncc(C(=O)N3CCC(n4nc(C(F)(F)F)n(C)c4=O)CC3)c2)cc([N+](=O)[O-])c1,KSEVEGNNYQCBRM-UHFFFAOYSA-N
-rxn:4:221392:223671,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,ZNWWINVXIVTSIU-UHFFFAOYSA-N
-rxn:4:221393:225827,CN1CCN(c2cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)ccn2)CC1,BWHPHXRZEOPMAT-UHFFFAOYSA-N
-rxn:4:221406:224128,CN(C)c1cc(N2CCN(Cc3cccc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4)c3)CC2)ncn1,PLRPJZANUNHOIE-UHFFFAOYSA-N
-rxn:4:221415:225514,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4OCC4(CC4)CO5)cc3)CC2)n1,VFZXDFHKBZFMBJ-UHFFFAOYSA-N
-rxn:4:221416:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1,NMCVHMWSTNAVCB-UHFFFAOYSA-N
-rxn:4:221449:224084,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCc5cccc(C#N)c5)cc4)cc3)CC2)n1,IUPRCOYUGIICGR-UHFFFAOYSA-N
-rxn:4:221498:224290,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(Cl)cc4OCCN4CCOCC4)c23)CC1,XFVXYSBIJDPLDR-UHFFFAOYSA-N
-rxn:4:221507:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc(OCC4CCCN(c5ncnc6c5CCC6)C4)nc3)c2)C1,JMZBCWFCJZHMLM-UHFFFAOYSA-N
-rxn:4:221729:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(Cn5c(C)nc6ccccc6c5=O)CC4)nc3)c(F)c2)CC1,UMWCNQSWESTQNP-UHFFFAOYSA-N
-rxn:4:221836:224782,CN1CCN(c2cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc(F)c2F)CC1,WHXCFTVHXWLUAX-UHFFFAOYSA-N
-rxn:4:221972:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OCC2CCCN(Cc3nnc4n3CCC4)C2)nc1,ARZMHFICOJRSKL-UHFFFAOYSA-N
-rxn:4:221980:225878,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)cc(N6CCOCC6)c5)c4)sc3n2)CC1,KEEXKIGQMNMLMQ-UHFFFAOYSA-N
-rxn:4:221985:224337,Cn1cc(-c2nc3cnc(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,RTXSTZBAGAQFER-HSZRJFAPSA-N
-rxn:4:222062:223279,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,SOINMPMARLJFAF-UHFFFAOYSA-N
-rxn:4:222062:228441,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)c1F,QFRZSHHJSVTKBX-UHFFFAOYSA-N
-rxn:4:222062:228614,CCc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,OMDQZYSKDVFMEB-UHFFFAOYSA-N
-rxn:4:222062:228627,CCc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,KXNOPVYZUJUSOA-UHFFFAOYSA-N
-rxn:4:222062:228638,Cc1cc(C)c(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,PNSKKMHVPQHXNN-UHFFFAOYSA-N
-rxn:4:222062:228647,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(C)cc4C)cc3)CC2)n1,HSDSMCLVBVNAKZ-UHFFFAOYSA-N
-rxn:4:222062:228649,Cc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)c1,IMPZFIRFIBAFOV-UHFFFAOYSA-N
-rxn:4:222062:228724,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)cc4Cl)cc3)CC2)n1,PRDYZSUNAVSVPQ-UHFFFAOYSA-N
-rxn:4:222062:228726,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C#N)c4)cc3)CC2)n1,SZWWRORAWAVBHP-UHFFFAOYSA-N
-rxn:4:222062:228731,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(Cl)c4C#N)cc3)CC2)n1,RASQFPWAHTZLDP-UHFFFAOYSA-N
-rxn:4:222062:228741,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)ccc4Cl)cc3)CC2)n1,PNKXRRBTJBXLLD-UHFFFAOYSA-N
-rxn:4:222062:228742,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C#N)c4)cc3)CC2)n1,LGZYRMRJDCZVKQ-UHFFFAOYSA-N
-rxn:4:222062:228743,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)ccc4C#N)cc3)CC2)n1,QWSMVPUWLYLKFB-UHFFFAOYSA-N
-rxn:4:222062:228746,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C#N)c4Cl)cc3)CC2)n1,LYSVENZNGXRQKT-UHFFFAOYSA-N
-rxn:4:222062:228751,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4C#N)cc3)CC2)n1,RJIWAMRHUXHWSS-UHFFFAOYSA-N
-rxn:4:222062:228791,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)c1,DJBCUECXDBFSGD-UHFFFAOYSA-N
-rxn:4:222062:228804,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1Cl,NASVIMFDYCRPTN-UHFFFAOYSA-N
-rxn:4:222062:228806,CSc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,HOHGPJJTAVZFMQ-UHFFFAOYSA-N
-rxn:4:222062:228807,CSc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,KVNKRPPIPBZSOC-UHFFFAOYSA-N
-rxn:4:222062:228809,CSc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,FHRSRMXMJKVLCB-UHFFFAOYSA-N
-rxn:4:222062:228810,CSc1c(Cl)cccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,XJFJKSXSMDHUCF-UHFFFAOYSA-N
-rxn:4:222062:228812,CSc1cccc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,QRGXEKAYVTWTTI-UHFFFAOYSA-N
-rxn:4:222062:228813,CSc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1Cl,AUTMFLKWGCBISX-UHFFFAOYSA-N
-rxn:4:222062:228814,CSc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1Cl,KRDXBZQYHKSCJL-UHFFFAOYSA-N
-rxn:4:222062:228815,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)c1,FXWWCJUHWWMUAT-UHFFFAOYSA-N
-rxn:4:222062:228823,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(C)cc4F)cc3)CC2)n1,PKODFPMRTOTURY-UHFFFAOYSA-N
-rxn:4:222062:228834,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(C)cc4Cl)cc3)CC2)n1,TWSCZNJFULZPMH-UHFFFAOYSA-N
-rxn:4:222062:228835,Cc1cc(Cl)c(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,ARBDPSPWGPTBGR-UHFFFAOYSA-N
-rxn:4:222062:228837,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(Cl)c4F)cc3)CC2)n1,KGPLBSCCDAKOPZ-UHFFFAOYSA-N
-rxn:4:222062:228841,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(Cl)cc4C)cc3)CC2)n1,GJWBGNSZBPEFRI-UHFFFAOYSA-N
-rxn:4:222062:228842,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(F)c4C)cc3)CC2)n1,KDCWMDWNJVZHAO-UHFFFAOYSA-N
-rxn:4:222062:228848,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)c1,FZGIXIGXORWFRY-UHFFFAOYSA-N
-rxn:4:222062:228874,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)cnc4Cl)cc3)CC2)n1,XGFHSOOHJIRMIX-UHFFFAOYSA-N
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-rxn:5:177191:225603:223002,N#CC1(c2cccc(-c3cc(-c4ccc(C5CCNCC5)cc4F)ccc3CC(=O)C3CC3)c2F)CCC1,AFGSQLJCRLEMGM-UHFFFAOYSA-N
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-rxn:5:178467:225834:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,VTJKCSQMROUBIK-UHFFFAOYSA-N
-rxn:5:178467:225980:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,GANKUYYLPFGXJO-UHFFFAOYSA-N
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-rxn:5:178467:227568:225498,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3c(F)cc(OC)cc3OC)c2OC1,MPMSLYRYDGBFLV-UHFFFAOYSA-N
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-rxn:5:178467:228974:225605,CCOC(=O)C1=Cc2cc(-c3cc(C)cnc3OC3CCCC3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,JUJKOPDUYJPJCA-UHFFFAOYSA-N
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-rxn:5:180021:226130:225834,COc1c(-c2ccc(CN3CCCC3)cc2)cc(C2OCCO2)cc1-c1cc(N2CCCCC2)ncc1F,CUVXKGSSEXCJND-UHFFFAOYSA-N
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-rxn:5:180022:226374:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,HGZHBYWDWUGQOL-UHFFFAOYSA-N
-rxn:5:180022:226374:225655,COc1c(-c2cncc(N3CCC(C)CC3)c2)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,PWWRMMXYVGBJOH-UHFFFAOYSA-N
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-rxn:5:180022:227390:226571,COc1c(-c2cnn(CC3CCOCC3)c2)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,ZFQNFCWISKEIGS-UHFFFAOYSA-N
-rxn:5:180095:225455:225451,Cc1ccc(N2CCCCC2)cc1-c1ccc(-c2ccc(SC3CCCCC3)cc2)c(OC2CCCC2)c1,RGJIPHWASNASDU-UHFFFAOYSA-N
-rxn:5:180203:226420:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(OC2CCOCC2)cc(-c2ccc(F)c(N3CCCC3)c2)c1,CHOKWMIKNPYMPD-UHFFFAOYSA-N
-rxn:5:180297:223000:227506,COc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,NQIUFMDJDYSFNR-ZRDIBKRKSA-N
-rxn:5:180422:225832:223200,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(C2CCNC2)cc1,WAXQZLJYAHTEKD-UHFFFAOYSA-N
-rxn:5:180662:225831:227496,CCN(C)c1cc(F)c(-c2cc3c(c(-c4cnc(N5CCOCC5)c(C)c4)c2)OCC(C(=O)OC)=C3)cn1,WEESSCRMOKAAMG-UHFFFAOYSA-N
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-rxn:5:181908:223063:225833,Cc1cc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccnc(N3CCCCC3)c2F)cc1C1OCCO1,BDNXOEDSBKIHFU-UHFFFAOYSA-N
-rxn:5:181908:225986:226662,Cc1cc(-c2ccccc2N2CCCS2(=O)=O)c(-c2ccc(N3CCN(C)CC3)s2)cc1C1OCCO1,FXDZMHOAFUEUCL-UHFFFAOYSA-N
-rxn:5:182012:225832:223007,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(C2CCCOC2)c1,JLXLIAAGZQTMQF-UHFFFAOYSA-N
-rxn:5:188930:223135:223133,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccccc1N1CCNCC1,YBKCJICYOUPKIZ-UHFFFAOYSA-N
-rxn:5:188930:226189:226189,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCC3)c(F)c2)cc1-c1ccc(C2CCCC2)c(F)c1,UTIOKQJCTTXNGC-UHFFFAOYSA-N
-rxn:5:188930:226330:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCC3)s2)cc1-c1cccnc1C1CCCNC1,SJSNOGLCKMUOOU-UHFFFAOYSA-N
-rxn:5:188930:227438:225456,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCOC3)c2)cc1-c1ccc(C2CCN(C)CC2)cc1,RIXPAXBRTWZVAT-UHFFFAOYSA-N
-rxn:5:189001:226883:223010,COC(=O)C1(c2nc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2c(F)ccc(C(F)(F)F)c2F)CC1,KOBYCNINNIOWPR-UHFFFAOYSA-N
-rxn:5:189212:222998:228791,CSc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(F)cc(C3CCCNC3)c2)c(F)c1,RILLNEMIEVBTKI-UHFFFAOYSA-N
-rxn:5:189321:225871:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)nc1C(=O)OC(C)(C)C,BZDPBAGCOZKOIC-UHFFFAOYSA-N
-rxn:5:189336:225985:226366,CN(C(=O)c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccnc(N3CCCCC3)c2)c1)C1CC1,CYGPOFLGTRWIGS-UHFFFAOYSA-N
-rxn:5:189662:226662:227291,CN(C)Cc1ccc(-c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc2OCC2CCOCC2)cc1F,FMCSSQWZUKKGEY-UHFFFAOYSA-N
-rxn:5:189665:226422:225611,COc1cc(N2CCCC2)ccc1-c1cc(-c2cc(F)ccc2N2CCCC2)cnc1OCC1CCOCC1,HQBQCMIIKIJLPC-UHFFFAOYSA-N
-rxn:5:189672:227278:226052,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3(C#N)CC3)nc2)c1-c1c(F)ccc(OC(F)(F)F)c1F,IHDQFTNPUUYBAD-YRJKAGBCSA-N
-rxn:5:189827:222992:227277,CN(C)c1ccc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(N3CCCCC3O)cc2)cc1C#N,BGGYXNRJTXPHPS-UHFFFAOYSA-N
-rxn:5:189910:223105:227582,CCOc1c(-c2ccc(-c3cc(S(=O)(=O)NC)c(C)cc3F)cc2CCN2CCOCC2)ccc(F)c1F,WARFICNRHVUOPH-UHFFFAOYSA-N
-rxn:5:189910:226644:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2cncc(N3CCOCC3)c2)cc1CCN1CCOCC1,GVTJYBFJAOZOSS-UHFFFAOYSA-N
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-rxn:5:190194:227574:225588,COc1c(F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccccc2CN2CCSCC2)c1OC,XXSVRBOZIZANKW-UHFFFAOYSA-N
-rxn:5:190195:222417:223062,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1cnc(C2CCNCC2)cc1F,YBVJIPFJBJMGRH-UHFFFAOYSA-N
-rxn:5:190195:222417:223065,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCNCC2)cc1F,FJGCKFUWXNBUEU-UHFFFAOYSA-N
-rxn:5:190195:223056:223113,CN(Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,SETTWTWCNJHMDG-UHFFFAOYSA-N
-rxn:5:190195:226152:227588,COc1cc(C2CC2)cc(-c2ccc(CN(C)C3CCOCC3)cc2-c2c(OC)cc(F)cc2OC)c1C,WMVBGISHXRPUAC-UHFFFAOYSA-N
-rxn:5:190196:222417:225598,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2cccc(CN3CCSCC3)c2)c1,MOAQDCVCVGETCZ-UHFFFAOYSA-N
-rxn:5:190196:223113:225978,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(N2CCOCC2)nc1F)C1CCOCC1,XZMIAHUAFHDCRF-UHFFFAOYSA-N
-rxn:5:190196:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccnc(OC3CCOCC3)c2)ccc1CN(C)C1CCOCC1,BUWQQQFQFQBJBE-UHFFFAOYSA-N
-rxn:5:190197:225980:227376,CN(Cc1ccc(-c2cncc(N3CCCC3)c2)cc1-c1cc(N2CCOCC2)ncc1F)C1CCOCC1,OSYVDENOTNCBNW-UHFFFAOYSA-N
-rxn:5:190201:225803:223113,CC1CN(CCc2cc(-c3ccnc(OC4CCOCC4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,JWKNDPFCXNVAOA-UHFFFAOYSA-N
-rxn:5:190264:226781:227341,Cc1cc(OC(F)(F)F)cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cccc(OC(C)C)c2F)c1,ACUXZIKUESCOPT-UHFFFAOYSA-N
-rxn:5:190265:228708:225469,CC1CCCN(C(=O)Cc2ccc(-c3ccc(N4CCCC(C)C4)cc3)c(-c3cncnc3C3CC3)c2)C1,CXINPJIVDFRCBB-UHFFFAOYSA-N
-rxn:5:190335:225808:226067,COc1c(-c2ccc(C3=CCCCC3)cc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(OC2CCCC2)ncc1F,HRIQIPWJZUBGAX-UHFFFAOYSA-N
-rxn:5:190335:226159:226150,COc1c(-c2cccc(SC3CCCC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1cccc(N2CCCCC2)c1,ODUCPKFVYVGCJK-UHFFFAOYSA-N
-rxn:5:190336:223245:225988,COc1c(-c2ccc3[nH]ncc3c2OC)cc(C(=O)N2CCCC(C)C2)cc1-c1c(F)cc(C2OCCO2)cc1F,JAPPDKZRZQKSBF-UHFFFAOYSA-N
-rxn:5:190336:226413:227893,COc1c(-c2cccc(CN(C)C)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cccc(N2CCOCC2)c1,ZSTLTKMTUFPUPH-UHFFFAOYSA-N
-rxn:5:190337:227100:227546,COC(=O)c1cccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3c(C)cc(C4CC4)cc3F)c2OC)c1F,AAGGIIBFGBKATR-UHFFFAOYSA-N
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-rxn:5:190484:223139:227041,CCOc1cc(C)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(C5CCNCC5)nc4)c3)CCS2(=O)=O)cc1C,KYPCNVMQJNOOSH-UHFFFAOYSA-N
-rxn:5:190484:227077:227409,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c(F)c1,QRBGADMAUNIAGO-UHFFFAOYSA-N
-rxn:5:190681:227611:225806,CC(=O)Oc1cn(C(C)=O)c2cc(-c3cnc(OC4CCCC4)cc3F)c(-c3ccnn3C3CCCCO3)cc12,FNYWUJZUCVVZNQ-UHFFFAOYSA-N
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-rxn:5:190740:225976:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(N2CCOCC2)c1F,MOSBCHOHTKLFAX-UHFFFAOYSA-N
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-rxn:5:190741:222989:223065,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3C)cc(C)cc2c1-c1ccc(N2CCNCC2)cc1F,IMPPJPAGFPNCSE-UHFFFAOYSA-N
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-rxn:5:190741:223064:225607,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccc(C(C)N2CCCCC2)s1,ZIQBRUHBSWBUSV-UHFFFAOYSA-N
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-rxn:5:190742:223056:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(C2CCNCC2)nc1F,IQVBKFAKRRDXPT-UHFFFAOYSA-N
-rxn:5:190742:223061:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,AYTLABNIHADPCA-UHFFFAOYSA-N
-rxn:5:190742:223061:226571,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cnn(CC2CCOCC2)c1,MLPHGLYKJWRZNC-UHFFFAOYSA-N
-rxn:5:190742:223062:225590,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(CN2CCCC2)c(F)c1,VLAHKXQARRHIOP-UHFFFAOYSA-N
-rxn:5:190742:223065:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(CN2CCCC2)c(F)c1,VHANQODZWLXFIY-UHFFFAOYSA-N
-rxn:5:190742:223065:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cc(N2CCOCC2)ncc1F,PTRYKWNNRJHJKR-UHFFFAOYSA-N
-rxn:5:190742:225784:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCOCC2)nc1F,HBFQTKZOVXOEGF-UHFFFAOYSA-N
-rxn:5:190742:225834:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1cc(N2CCOCC2)ncc1F,IEPJBISQTJSEOV-UHFFFAOYSA-N
-rxn:5:190742:225978:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(CN2CCCC2)c(F)c1,FZWWKHZUNANSOB-UHFFFAOYSA-N
-rxn:5:190742:226330:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)s3)c2c1-c1ccnc(N2CCOCC2)c1F,CYIJVAKJRAZEEH-UHFFFAOYSA-N
-rxn:5:190742:226662:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cc(N2CCOCC2)ncc1F,SQNAERCXUDGDSO-UHFFFAOYSA-N
-rxn:5:190743:225656:225976,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCCCC4C)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,HTPHLUPGZKJRSI-UHFFFAOYSA-N
-rxn:5:190743:225976:223056,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,NELJWNUOHHEDNZ-UHFFFAOYSA-N
-rxn:5:190743:225980:225784,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,RATZCTCMNBUKQL-UHFFFAOYSA-N
-rxn:5:190743:225982:226661,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(N2CCN(C)CC2)cs1,OAAUJLZSZKSOJC-UHFFFAOYSA-N
-rxn:5:190744:223061:223061,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,SJBBMBYAHUBOTI-UHFFFAOYSA-N
-rxn:5:190744:223062:223062,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,QOBRBOBEZGTUTI-UHFFFAOYSA-N
-rxn:5:190833:228066:227547,Cc1cc(-c2ccc(-c3ccc4c(c3)OCCO4)c3c2CN(C(=O)OC(C)(C)C)C3=O)ccc1OC(F)F,YWZQXPJODBGSPE-UHFFFAOYSA-N
-rxn:5:190859:226058:226426,CC1CCN(c2ccc(-c3c(-c4c(C(C)C)cccc4C(C)C)ccc4c3CCN4C(=O)OC(C)(C)C)s2)CC1,HJOVMFUJASCLJG-UHFFFAOYSA-N
-rxn:5:190859:227936:226883,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CC3)c1)c2-c1c(F)ccc(C(F)(F)F)c1F,BNBWQCBXRVTAHV-UHFFFAOYSA-N
-rxn:5:190993:222980:227309,CCC(C)c1cc(-c2ccc(CCN3Cc4cc(-c5ccc(CN6CCNCC6)cc5)ccc4OCC3=O)cc2)cc(F)n1,SPNLCFZQSSXTFU-UHFFFAOYSA-N
-rxn:5:191026:223306:227086,COC(=O)C1=CN(c2ccc(C)c(-c3ccnc(C4CCCC4)c3)c2)c2cc(-c3ccc4c(c3)CNCC4)ccc2S1(=O)=O,QJTYGGHXFHCHIX-UHFFFAOYSA-N
-rxn:5:191026:227933:226911,CCc1ccc(OC)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3c(CC)cc(C)cc3CC)c1)C=C(C(=O)OC)S2(=O)=O,KXGWIKXMPUASHM-UHFFFAOYSA-N
-rxn:5:191049:226664:225980,COc1cc(N2Cc3cc(-c4cc(N5CCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCOCC2)ncc1F,SPMABSJYPPLVLS-UHFFFAOYSA-N
-rxn:5:191766:225437:225607,COc1c(-c2cccc(CN3CCCCC3)c2)ccc(-c2ccc(C(C)N3CCCCC3)s2)c1[N+](=O)[O-],ICHHUSCNEQPAMW-UHFFFAOYSA-N
-rxn:5:192082:223062:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)cnc1OC1COC1,GGYHVAOIAPOPIQ-UHFFFAOYSA-N
-rxn:5:192234:225805:226643,COc1c(-c2ccc(N3CCOCC3)nc2)cc(-c2ccc(C(C)N3CCOCC3)s2)cc1S(N)(=O)=O,HUUJCQRLHLNOQH-UHFFFAOYSA-N
-rxn:5:193225:227070:225620,CCOc1cc(C)c(C)cc1-c1ccc(-c2ccc(OC3CCOCC3)cc2)c(C(=O)N2CCOCC2)c1,WVHLNKKXZZHAAG-UHFFFAOYSA-N
-rxn:5:193227:225636:226323,CC1CCN(c2cc(-c3cc(C(=O)N4CCOCC4)cc(-c4ccc(OC5CCCC5)nc4)c3)ccn2)CC1,QPQSGFRASCWIGG-UHFFFAOYSA-N
-rxn:5:193230:226593:226062,CC(C)Oc1ccc(F)c(-c2ccc(C(=O)N3CCOCC3)c(-c3cc(C(C)C)cc(C(C)C)c3)c2)c1F,CUDVAFLTMLTRGL-UHFFFAOYSA-N
-rxn:5:193333:223135:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCOCC2)ccc1-c1cccnc1C1CCCNC1,WAFQOBRKFGIOHH-UHFFFAOYSA-N
-rxn:5:193382:222958:228868,COC(=O)c1ccc(-c2cc(-c3ccc(C)c(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)s1,NLJPAZXSYNNMRD-UHFFFAOYSA-N
-rxn:5:193382:222959:226661,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)ccc1C1CCNCC1,YXJHEBWSRKZSSW-UHFFFAOYSA-N
-rxn:5:193382:223141:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3cncc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,AWEUBIBSVDNQOI-UHFFFAOYSA-N
-rxn:5:193382:223148:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccccc2C2CNCCO2)ccc1S(=O)(=O)N1CCOCC1,UCMNIBRCPYTZOK-UHFFFAOYSA-N
-rxn:5:193382:223285:226685,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(C3CCOCC3)nc2)c1,PJXZTGHIHWRUIM-UHFFFAOYSA-N
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-rxn:5:194782:226154:226980,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2cccc3c2C(=O)CCC3)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,WZOABFRFRLRZLV-UHFFFAOYSA-N
-rxn:5:194782:226864:228344,O=C1CC2(CCN(C(=O)c3cc(-c4cc(F)c(OC(F)F)c(F)c4)ccc3-c3ccc(SC(F)F)cc3)CC2)Oc2ccccc21,CABKOUYHROSKEW-UHFFFAOYSA-N
-rxn:5:194782:227075:227988,COc1cc(-c2ccc(-c3cccc(C4CC4)c3F)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cc(C(C)C)c1,VLQMOOWOHJHHQX-UHFFFAOYSA-N
-rxn:5:194782:227820:227166,CN1CCOc2cc(-c3ccc(-c4ccc(C(C)(C)C)cc4)cc3C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)ccc21,CHPUUNXIHMQRAU-UHFFFAOYSA-N
-rxn:5:194782:228334:226469,CCOc1cnc(F)c(-c2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,BTZZTHDOWAWNGB-UHFFFAOYSA-N
-rxn:5:194792:228239:228488,COc1nc(C)c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(F)cc6[N+](=O)[O-])cc5)C(=O)C34)cc2)cc1C,JIHNUBHWWQHBCE-UHFFFAOYSA-N
-rxn:5:196408:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1C1=NOCCO1,JYRLUQBFDSSJLP-UHFFFAOYSA-N
-rxn:5:196408:226064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCCCC3)cc2)c1,CAYAEMBMGGSJCT-UHFFFAOYSA-N
-rxn:5:196408:226686:225832,Cc1cnn(C2CCCCO2)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C1=NOCCO1,VUFRYAMQTINPHV-UHFFFAOYSA-N
-rxn:5:196618:225924:225636,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(N2CCCC2=O)c1,PNJNBQROMHLZBS-UHFFFAOYSA-N
-rxn:5:196619:225833:225986,O=C1CCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,RWEANKZOBDMDBY-UHFFFAOYSA-N
-rxn:5:196667:222981:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCC2)c1-c1ccnc(NC2CCCCC2)c1,VTOBOASQOINSIC-UHFFFAOYSA-N
-rxn:5:196670:222996:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(-c2ccc(F)cc2C2CCCNC2)c1C1CCCC1,JXYJZHHRBJVKDT-UHFFFAOYSA-N
-rxn:5:196858:223064:222988,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)n1,DXZMNHSAYGANGZ-UHFFFAOYSA-N
-rxn:5:196859:222985:222959,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCCNC3)nc2C)ccc1C1CCNCC1,VEYRGBWUULJDLD-UHFFFAOYSA-N
-rxn:5:196859:227611:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccnn1C1CCCCO1,NCZNKVROGRNZRI-UHFFFAOYSA-N
-rxn:5:196869:225832:223134,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2cnccc2C2CCCNC2)c1,KYNNFGSDGHYEAN-UHFFFAOYSA-N
-rxn:5:196917:223132:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cccc(N3CCNCC3)c2)=N1,AWJUPENLBARLBR-UHFFFAOYSA-N
-rxn:5:196917:225985:226371,Cc1cc(N2CCCC2)ncc1-c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(C2=NC(C)(C)CO2)c1,YFVDFNSWIZIQRP-UHFFFAOYSA-N
-rxn:5:196917:225985:226658,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)nc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,HTBBJZPLSUGNPB-UHFFFAOYSA-N
-rxn:5:196917:226366:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccnc(N3CCCCC3)c2)=N1,NYWLFMGGICCTPH-UHFFFAOYSA-N
-rxn:5:196918:225924:226366,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cccc(N2CCCCC2=O)c1-c1ccnc(N2CCCCC2)c1,DCJQLXXNBRTHOU-UHFFFAOYSA-N
-rxn:5:196918:225925:226366,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cccc(N2CCCCC2=O)c1-c1ccnc(N2CCCCC2)c1,PGCKYIRVXSNHKD-UHFFFAOYSA-N
-rxn:5:196919:226658:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,IGUQHCBBARIFJC-UHFFFAOYSA-N
-rxn:5:196922:226366:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2)cc(N2CCCCC2=O)c1,RBHGYQYUPHWLQD-UHFFFAOYSA-N
-rxn:5:196922:226366:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCCCC3)c2)cc(N2CCCCC2=O)c1,RHXGJIFQLYNCKD-UHFFFAOYSA-N
-rxn:5:196923:226679:225986,O=C1CCCCN1c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,WGDRSKPCCZPYGV-UHFFFAOYSA-N
-rxn:5:196969:226652:223062,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2cnc(C3CCNCC3)cc2F)n(C2CCCCO2)n1,MBPCPHZRVJLYOT-UHFFFAOYSA-N
-rxn:5:196969:227103:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1sccc1C1CCCCC1,WOZFVSNLQZVLMS-UHFFFAOYSA-N
-rxn:5:196970:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccccc1C1CNCCO1,BVEVEBLJEONLAZ-UHFFFAOYSA-N
-rxn:5:196971:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCNCC3)c2)c(C2CCCCC2)cn1,VYVXVFIDLSNIDA-UHFFFAOYSA-N
-rxn:5:196971:226179:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCCCC3)c2)ncc1C1CCCCC1,ZMGUWRVXGWHPCD-UHFFFAOYSA-N
-rxn:5:196979:225985:225634,Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(N3CCCCC3)c2)cnc1N1CCCCC1,DSSIZFNIJPCGII-UHFFFAOYSA-N
-rxn:5:197169:225986:225634,Cc1cc(-c2cc3c(c(-c4ccccc4N4CCCS4(=O)=O)c2)OCC(C#N)=C3)cnc1N1CCCCC1,ZZRCNJQGGVRPPQ-UHFFFAOYSA-N
-rxn:5:197876:225498:229084,CC(C)c1ncsc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,UUDCNAOKGNPPFN-UHFFFAOYSA-N
-rxn:5:197876:225499:228591,CC(C)c1cnccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,UFERHPCNGSVNTB-UHFFFAOYSA-N
-rxn:5:197876:227820:223113,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,KFNMVNRINVTDHN-UHFFFAOYSA-N
-rxn:5:198559:226661:225805,CC(c1ccc(C2=NS(=O)(=O)c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc32)s1)N1CCOCC1,BJDIBUBTJSLSBA-UHFFFAOYSA-N
-rxn:5:225498:178467:227917,CCOC(=O)C1=Cc2cc(-c3cc(CC)ccc3OC)cc(-c3cc(C4CCCCC4)ccc3F)c2OC1,BDRNQRRPFLCFGM-UHFFFAOYSA-N
-rxn:5:225654:177190:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCCC(C)C3)nc2)c1,WGLUWGCKURPRHP-UHFFFAOYSA-N
-rxn:5:225679:193506:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2csc(C3CC3)n2)CC1,QJLCZROXLDVODC-UHFFFAOYSA-N
-rxn:5:225805:181908:223138,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(C3CCNCC3)c2)cc1C1OCCO1,YZLTUOMIRFVILD-UHFFFAOYSA-N
-rxn:5:225832:180422:223241,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cncc(C2CCNC2)c1,CSPBRRKXRGPFBK-UHFFFAOYSA-N
-rxn:5:225832:181904:226665,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cnc(C2CCCOC2)nc1,RYSOHALCOHYJIF-UHFFFAOYSA-N
-rxn:5:225832:182010:223134,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnccc2C2CCCNC2)ccc1C1CCOCC1,QYSRDRAGUOZYEY-UHFFFAOYSA-N
-rxn:5:225832:182013:223137,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncc(C3CCCNC3)c2)c(C2CCOCC2)c1,WCLROEQFOOEHHD-UHFFFAOYSA-N
-rxn:5:225832:196676:225407,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCCC3)cc2)cc(N2CCCC2)c1,ANSAHUPETLDPKR-UHFFFAOYSA-N
-rxn:5:225881:181908:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCOCC3)nc2F)cc(C2CCNCC2)c1,FUCIBKYWTSIXKR-UHFFFAOYSA-N
-rxn:5:225937:180267:222404,CSc1cc(C(C)(C)C)cc(-c2cc(C(F)(F)F)ncc2C(C)C)c1-c1ccc(C2NC(=O)NC2=O)cc1,WSZPFALLYJDLTF-UHFFFAOYSA-N
-rxn:5:226058:178295:223353,COC(=O)C1(c2cc(-c3cccc(NC(C)=O)c3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,MABJXMOHSJADIA-UHFFFAOYSA-N
-rxn:5:226058:178295:228737,COC(=O)C1(c2cc(-c3ccc(OC)nc3C)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,URDOWCPTJWFMPJ-UHFFFAOYSA-N
-rxn:5:226058:178295:228777,COC(=O)C1(c2cc(-c3ccc(OC)cc3F)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,NQRAKJDTAYZTMK-UHFFFAOYSA-N
-rxn:5:226059:178295:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,JQXXLAGNANHKNM-UHFFFAOYSA-N
-rxn:5:226059:178295:228687,CCSc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,PKGWGKFOSFBIGL-UHFFFAOYSA-N
-rxn:5:226059:189667:223018,CC(C)c1ccc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2)c(C(C)C)c1,XAITYCKBAURECM-BHMBMEIHSA-N
-rxn:5:226067:178295:227989,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FXYSDBAGNPCVBW-UHFFFAOYSA-N
-rxn:5:226070:178295:225450,COC(=O)C1(c2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,RCUSXVHXXRNLRI-UHFFFAOYSA-N
-rxn:5:226140:178295:228591,COC(=O)C1(c2cc(-c3ccncc3C(C)C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,UMIDIVPGBZHKDW-UHFFFAOYSA-N
-rxn:5:226366:193870:228259,COc1cc(C)cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1F,HXGALPFVAKAQBE-UHFFFAOYSA-N
-rxn:5:226382:180022:225976,COc1c(-c2ccnc(N3CCOCC3)c2F)ccc(-c2cnc(C3CCCCC3)nc2)c1C1OCCO1,NTGVUHZVXYGJJK-UHFFFAOYSA-N
-rxn:5:226414:193506:223313,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccc(C3(O)CC3)cc2)CC1,GVZGWUWXGZQUSR-UHFFFAOYSA-N
-rxn:5:226414:193506:227958,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NCCCO4)cc3)cc2-c2ccnc(C3CCC3)c2)CC1,GULPPOZHCTUJPU-UHFFFAOYSA-N
-rxn:5:226426:177190:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCC(C)CC3)s2)c1,FDPAOTXDUVBEQF-UHFFFAOYSA-N
-rxn:5:226428:181626:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2cc(N3CCCCC3C)cs2)c1C1OCCO1,HFNDQGNVLKGEPM-UHFFFAOYSA-N
-rxn:5:226580:178295:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,HCERHRYAPBBPPH-UHFFFAOYSA-N
-rxn:5:226652:196859:226686,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2c(C)cnn2C2CCCCO2)n(C2CCCCO2)n1,XGPYUPLOJDKGCT-UHFFFAOYSA-N
-rxn:5:226654:181906:223063,Cc1ccc(-c2csc(N3CCC(C)CC3)n2)c(C2OCCO2)c1-c1cc(F)nc(C2CCNCC2)c1,PGPZTSZTLBAWJL-UHFFFAOYSA-N
-rxn:5:226665:180421:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cnc(C2CCCOC2)nc1,DTVKMVBNHBMFDB-UHFFFAOYSA-N
-rxn:5:226679:196923:225986,O=C1CCCCN1c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,WGDRSKPCCZPYGV-UHFFFAOYSA-N
-rxn:5:226686:181908:222998,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(F)cc(C3CCCNC3)c2)cc1C1OCCO1,HIPHZCZKSRCXOY-UHFFFAOYSA-N
-rxn:5:226686:183189:223007,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)cc(C3CCNCC3)c2)cc2c1OC(C)(C)OC2,FYPADFYNHHPDDB-UHFFFAOYSA-N
-rxn:5:226769:178295:229053,COCc1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,VOTQTSGGTFXLLW-UHFFFAOYSA-N
-rxn:5:226772:178295:225417,CCOc1ccc2ccccc2c1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,TZHXVXMDKIRBSJ-UHFFFAOYSA-N
-rxn:5:226772:178295:228556,COCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,WPMXZXPZULFFTC-UHFFFAOYSA-N
-rxn:5:226778:193867:227808,COc1cc(-c2cc(-c3ccc4c(c3)CCCC4)cc(C3(N4CCC(=O)CC4)CC3)c2)c(F)c(F)c1OC,PIEMYVUKUVEGPU-UHFFFAOYSA-N
-rxn:5:226911:178295:227980,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C3CC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HUPWIVADTUGXRT-UHFFFAOYSA-N
-rxn:5:226914:178295:228721,COC(=O)C1(c2cc(-c3ccnn3C(C)(C)C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,RCIVCIXZMFXPOY-UHFFFAOYSA-N
-rxn:5:226969:178295:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,VQMOTEXQUSZTBQ-UHFFFAOYSA-N
-rxn:5:226973:178295:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,MOTXGUGKUJBOIZ-UHFFFAOYSA-N
-rxn:5:227038:178295:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,BQFHTHVAOIXYOG-UHFFFAOYSA-N
-rxn:5:227042:178295:227922,CCOc1cc(C)c(-c2ccc(-c3ccc(OC)cc3CC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,NHPSZSYXTPBZIL-UHFFFAOYSA-N
-rxn:5:227046:178295:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(C)cc(OC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,VSAUIUKQNCKXSN-UHFFFAOYSA-N
-rxn:5:227052:189207:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)cc1C(=O)ON1C(=O)CCC1=O,DMHGUVBSZQILBZ-UHFFFAOYSA-N
-rxn:5:227071:178295:227542,COCc1cc(C)c(-c2ccc(-c3ccc(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,VRVYEZMEASGONM-UHFFFAOYSA-N
-rxn:5:227077:178295:227901,CCC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,NGSAEHRIUVIVRZ-UHFFFAOYSA-N
-rxn:5:227103:196969:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1sccc1C1CCCCC1,WOZFVSNLQZVLMS-UHFFFAOYSA-N
-rxn:5:227107:178295:228179,COCc1cc(F)cc(-c2ccc(-c3cc(C)cc(C4CC4)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZBYLUCBAPVZAMB-UHFFFAOYSA-N
-rxn:5:227108:193506:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ccc3F)cc2-c2ccnc(N3CCCC3)c2)CC1,CVFTYGYMVOCYGS-UHFFFAOYSA-N
-rxn:5:227120:193506:227387,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)cc3F)cc2-c2ccnc(N3CCCC3)c2)CC1,BETBWGRCFPYYBR-UHFFFAOYSA-N
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-rxn:4:175816:222585,COC(=O)c1cc(OC2CCCC2)cc(-c2ccccc2C(=O)NCCN2CCOCC2)c1,LBWTVKFMWMUELI-UHFFFAOYSA-N
-rxn:4:175830:223525,COc1ccc(C(=O)Oc2cccc(C)c2)cc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,AWJHQNIUJRVUIY-UHFFFAOYSA-N
-rxn:4:175874:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(CCOC3CCCCO3)c(Cl)c2)c1F,WLKLZPCTIFMIPX-UHFFFAOYSA-N
-rxn:4:176263:222636,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc1)C2=O,KYWOVOKZMROXJD-HXUWFJFHSA-N
-rxn:4:176407:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1c(F)cccc1OCC(F)(F)F,RBVYIFUNNXOICP-UHFFFAOYSA-N
-rxn:4:178175:222539,COC(=O)C1(c2ccc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cc2)CCCC1,JQJWXVDJPBCZLT-UHFFFAOYSA-N
-rxn:4:178330:223559,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)CC2(C1)OCCO2,MSJJRJWCICKMCK-UHFFFAOYSA-N
-rxn:4:178330:224420,COC(=O)C1(c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)CC2(C1)OCCO2,LQRLVSCOBSIRDW-UHFFFAOYSA-N
-rxn:4:178382:223772,COc1ccc2cc(-c3cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c3)n(C(=O)OC(C)(C)C)c2c1,HKEBCLLHTKATNW-UHFFFAOYSA-N
-rxn:4:178384:223759,COc1cc(COc2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cc2)cc(OC)c1,OOYMSYBUQICWOB-UHFFFAOYSA-N
-rxn:4:178384:226477,CCCCOc1ncc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,DEDTWBFMKDDHNJ-UHFFFAOYSA-N
-rxn:4:178384:228736,COc1nc(C)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,DDKQHXPTWHZXSZ-UHFFFAOYSA-N
-rxn:4:178384:229159,COc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cn1,LCLMZDJZCGEKRN-UHFFFAOYSA-N
-rxn:4:178384:229245,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)n(C)n1,OZMKQVRELALTFT-UHFFFAOYSA-N
-rxn:4:178463:222538,CCOC(=O)C1Cc2c(cccc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)C1=O,KUSAKPLAGPFFJR-UHFFFAOYSA-N
-rxn:4:178578:223559,CC(=O)Oc1ccc2c(-c3cc4cc(-c5ccc6c(c5)C(C)=CC(C)(C)N6C(=O)OC(C)(C)C)ccc4oc3=O)cc(=O)oc2c1,KUVPCELETNOKHX-UHFFFAOYSA-N
-rxn:4:178597:225654,CC1CCCN(c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cn2)C1,JLEFLJZCAYWXKZ-UHFFFAOYSA-N
-rxn:4:180083:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(SC4CCCC4)c3)c2)CC1,YHZVJZZZUPCHMC-UHFFFAOYSA-N
-rxn:4:180289:222389,COc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C)cc1C1OCCO1,WCVIDVZBUYGQRP-UHFFFAOYSA-N
-rxn:4:180382:223712,COc1ccc(-c2ccc(C3OCCO3)c(C(C)C)c2)cc1C12CC3CC(CC(C3)C1)C2,JFRDPVBFBDNTOE-UHFFFAOYSA-N
-rxn:4:180635:223683,COC(=O)c1cc2c(cc1-c1cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc1)OCCO2,UTGKXUPNZAAFIU-UHFFFAOYSA-N
-rxn:4:180637:222465,COC(=O)C1=Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2OC1,DNWLFRSGWSIVGR-UHFFFAOYSA-N
-rxn:4:180815:225232,COc1ccc(-c2cnc(Cl)c(N3CCC(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,XKUMSXADAFSADQ-UHFFFAOYSA-N
-rxn:4:180856:223872,CCN(C(=O)c1cccc(-c2cccc3c2-c2ccccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c1)C1CCCCC1,RCTQUYTYONIYGS-UHFFFAOYSA-N
-rxn:4:182374:222792,CC(=O)c1cc2c(cc1-c1cc(NC(=O)OC(C)(C)C)ccc1F)C(C)(C)CCC2(C)C,LLHMJGULJCLFQD-UHFFFAOYSA-N
-rxn:4:182792:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc4c(s3)C(=O)CCC4)ccc2F)CC1,CNAKDYUGNNRMOS-UHFFFAOYSA-N
-rxn:4:183271:223992,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc1S(=O)(=O)N1CCN(C)CC1,OBVVPTQMVLTJDW-UHFFFAOYSA-N
-rxn:4:183272:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1F,CKQXTBOVJGCTRG-UHFFFAOYSA-N
-rxn:4:183272:226686,Cc1cnn(C2CCCCO2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,SNQUSYWPQDFPPZ-UHFFFAOYSA-N
-rxn:4:183273:226633,Cc1nc(-n2cccn2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,DJRZPSIKPMUKKK-UHFFFAOYSA-N
-rxn:4:183274:225896,COCCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)cc1F,CLXIMBSOHADDFV-UHFFFAOYSA-N
-rxn:4:183274:228458,CSc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(SC)n1,CKXFLESIMVAMMJ-UHFFFAOYSA-N
-rxn:4:183502:224329,CCOC(=O)Cc1c(C#N)ccc(-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)c1C(F)F,HNPDTYGCTPATMX-UHFFFAOYSA-N
-rxn:4:183610:225742,CCCOc1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCC2)cc(Cl)c1OC,GPWLLFULNORGTQ-UHFFFAOYSA-N
-rxn:4:183723:223762,COC(=O)c1c(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)c(C)n(Cc2ccccc2)c1C,FPVAIBHSISCGLH-UHFFFAOYSA-N
-rxn:4:183739:222702,CCOc1cc(S(=O)(=O)N(CC)CC)ccc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,NHENXPXEEWPCER-UHFFFAOYSA-N
-rxn:4:183782:224394,CCN(Cc1cccc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1)C(=O)OC(C)(C)C,VHRUZOZIITXXJZ-UHFFFAOYSA-N
-rxn:4:183863:223048,COC(=O)CN1CCCC(COc2ccc(-c3cccc(C(=O)NC4CC4)c3F)cc2)C1,RSPHJSSZVCHMHT-UHFFFAOYSA-N
-rxn:4:183863:224969,COC(=O)CN1CCCC(COc2ccc(-c3ccc(C(=O)OC(C)(C)C)c(C)c3)cc2)C1,SMZLBXDXJKAUOG-UHFFFAOYSA-N
-rxn:4:183928:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cc1,ZDAGTVFZMXHLQD-UHFFFAOYSA-N
-rxn:4:183965:224969,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccc(C(=O)OC(C)(C)C)c(C)c2)c1,XVPFLTMFXDLYOZ-UHFFFAOYSA-N
-rxn:4:183968:222583,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)C1,PHISOYKPWGMFNR-UHFFFAOYSA-N
-rxn:4:183985:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)cc1,UWFUSPMVDSRZLY-UHFFFAOYSA-N
-rxn:4:183997:226056,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1c2c(cc3c1CCC3)CCC2)C1CCCC1,YQQHABFXRSOEBS-UHFFFAOYSA-N
-rxn:4:183999:224959,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(OCC3CCCCO3)cc2)c(F)c1)C1CCCC1,RIZDBEMHDDHVPZ-UHFFFAOYSA-N
-rxn:4:184011:223064,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1ccc(C2CCNCC2)nc1F,PZNMMRWEWYPEHX-UHFFFAOYSA-N
-rxn:4:184070:224417,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C)CCN(C(=O)OC(C)(C)C)C1,YUWITONLXVNAIM-UHFFFAOYSA-N
-rxn:4:184087:228848,Cc1cc(F)c(-c2ccc(CN(C(=O)C3=C(c4ccccc4)SCCO3)C3CCS(=O)(=O)C3)o2)c(Cl)c1,KKCNYPYUKIDBCP-UHFFFAOYSA-N
-rxn:4:184091:224405,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OC)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCCC1,IJZBHXGMCYFSBV-UHFFFAOYSA-N
-rxn:4:184096:228319,COc1nccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1OC,FWAXWQHILPFKIH-UHFFFAOYSA-N
-rxn:4:184099:224914,COc1c(-c2ccccc2)cccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,IYJNNQFYMKVSPG-UHFFFAOYSA-N
-rxn:4:184100:223279,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,JYGSJLRPAZUUOT-UHFFFAOYSA-N
-rxn:4:184189:226911,CCc1cc(C)cc(CC)c1-c1ccc2c(CC(=O)N3CCC(C(=O)OC)CC3)c(OC)ccc2c1,SAKYKPUUHSNTHI-UHFFFAOYSA-N
-rxn:4:184280:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(C(=O)CCCC#N)c3)ccc2F)CC1,FMGJXQVHDCXTHR-UHFFFAOYSA-N
-rxn:4:184553:223569,COC(=O)C(C(=O)OC)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cn1,CKDGXQKIJRFPFS-UHFFFAOYSA-N
-rxn:4:184659:223712,COC(=O)c1cnc(OCC2CC2)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,MWJPXFKISYNRQK-UHFFFAOYSA-N
-rxn:4:184916:224584,CC1CCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCC4)c(OCC4CC4)c3)c2)CC1,XJFANWHUYVKYGU-UHFFFAOYSA-N
-rxn:4:184965:225829,CC1CCN(c2ncc(-c3ccc(C(F)(F)F)c(N(C)C(=O)OC(C)(C)C)c3)cn2)CC1,GZIQUYAWFASALG-UHFFFAOYSA-N
-rxn:4:185027:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(SC2CN(C(=O)OC(C)(C)C)C2)c1,CZNLXCNXPMHOMD-UHFFFAOYSA-N
-rxn:4:185033:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccccc1OCC1CCCN(CC(F)F)C1,XIROAMUWHLTMHB-UHFFFAOYSA-N
-rxn:4:185058:226844,CC(C)(C)OC(=O)N1CC(Oc2cc(F)c(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,AZXNLUOJLUKAII-UHFFFAOYSA-N
-rxn:4:185095:224420,COc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,WXCIAQXGMWOFAP-UHFFFAOYSA-N
-rxn:4:185113:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)c1,JHMNFJHJMLPWKA-UHFFFAOYSA-N
-rxn:4:185114:225408,O=C(CS(=O)(=O)c1ccc(-c2cc3c4c(c2)CCCN4CCC3)cc1)N1CCC(C(F)(F)F)CC1,CYZBISXOUKMLKV-UHFFFAOYSA-N
-rxn:4:185140:224595,COC(=O)C1CCCN(CCc2ccc(F)c(-c3ccc(N4CCCC(C)C4)cc3OC)c2)C1,XVAPWVGEJMUFTG-UHFFFAOYSA-N
-rxn:4:185144:226844,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)CC1,WGCKNUAKTCVXPQ-UHFFFAOYSA-N
-rxn:4:185162:224471,CCOC(=O)c1cccc2c(-c3ccc(C(F)(F)F)cc3C3CN(C(=O)OC(C)(C)C)C3)cccc12,KTGLGBDQABTZEW-UHFFFAOYSA-N
-rxn:4:185198:224880,COC(=O)c1cc(-c2ccccc2CN2CCCCCC2)ccc1CN1CCC(OC)CC1,XYWJXDVRUKQYSK-UHFFFAOYSA-N
-rxn:4:185235:224159,COc1cc(C=C2N=C(c3ccc(-c4cccc5c4ccn5C(=O)OC(C)(C)C)cc3)OC2=O)ccc1OC(C)=O,NJJREEJZMXTFBG-UHFFFAOYSA-N
-rxn:4:185248:222860,CCCCNC(=O)c1ccc(F)c(-c2cc(OC)c(CN3CCCC(C(F)(F)F)C3)c(OC)c2)c1,BYEPKQOOIJPPTM-UHFFFAOYSA-N
-rxn:4:185263:224022,COc1cc(N2CCC(C(OC)OC)CC2)cc(F)c1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,UICBPVJYMAPMCH-UHFFFAOYSA-N
-rxn:4:185264:225220,CC1CCCCN1c1ncc(-c2ccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)cc2)cc1Cl,XXIVQKMCFOHKLW-UHFFFAOYSA-N
-rxn:4:185291:222795,O=C(Nc1ccc(-c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CCS(=O)(=O)C3)cc2)cc1)N1CCOCC1,GQHRLHRNROHAFS-UHFFFAOYSA-N
-rxn:4:185322:224312,CN1CCN(C(=O)c2cc(-c3ccc(Cl)c(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,ZRGLQKOXHIBLBE-UHFFFAOYSA-N
-rxn:4:185357:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)C1,OGRRSIWFYRWQCE-UHFFFAOYSA-N
-rxn:4:185371:225940,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(C(F)(F)F)cnc3C3CC3)cc2)CC1,WMQPHCRSCKIWRC-UHFFFAOYSA-N
-rxn:4:185375:223142,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(C3CCCNC3)nc2)CC1,ULCQMHNMMUXHGL-UHFFFAOYSA-N
-rxn:4:185411:224337,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cc2C2CC2)C1,FQFXBPGBOSDREW-UHFFFAOYSA-N
-rxn:4:185419:222929,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)c(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)C1,HGJZWBQMKGHGFQ-UHFFFAOYSA-N
-rxn:4:185432:225570,COC(=O)c1ccc(C2CC2)c(-c2c(C)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c1,QLNIOEQKMFWFKH-UHFFFAOYSA-N
-rxn:4:185437:228175,CCOc1cccc(-c2ccc(F)cc2CN2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1Cl,YUQNWEBNKUVKBP-UHFFFAOYSA-N
-rxn:4:185438:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c1,QTADEZKWCUGYHJ-UHFFFAOYSA-N
-rxn:4:185542:226607,CC(C)Oc1cc(Cl)cc(-c2ccc3c(c2)C(CN(C)C(=O)OC(C)(C)C)OCC3)c1F,DHWCAKCJVHNQSF-UHFFFAOYSA-N
-rxn:4:185589:225849,COc1ccc(-c2cnc(N3CCCCC3)cc2F)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,JVQRMXVIZXJBJZ-UHFFFAOYSA-N
-rxn:4:185799:223602,CCOC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)ccc1C#N,ZTYDBKTVSLBWST-UHFFFAOYSA-N
-rxn:4:185822:223635,COC(=O)Cc1cc(F)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C#N,QGCDRXLVXSVCFC-UHFFFAOYSA-N
-rxn:4:186599:223911,CCOC(=O)C1(c2ccc(-c3cc(C(C(=O)OC)N(C)C)ccc3F)cc2)CCOCC1,WMFCGCFMOARSBI-UHFFFAOYSA-N
-rxn:4:186743:225228,CN1CCN(c2ccc(-c3ccc(C(=O)N4CCCC4)cc3OC(F)(F)F)c(F)c2)CC1,YMPIKGAQYKSDON-UHFFFAOYSA-N
-rxn:4:186745:224394,Cc1ccc(-c2ccc(OC(F)(F)F)c(C(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCOCC1,OLQLOCPXFLTNIC-UHFFFAOYSA-N
-rxn:4:186792:224100,CC1CCN(CCOc2ccccc2-c2cccc(C#N)c2OCC2CCOCC2)CC1,YLTLADBIEMKSHE-UHFFFAOYSA-N
-rxn:4:187036:223873,CC1CCN(C(=O)CCc2ccccc2-c2cccc(OCCN3CCCCC3)c2)CC1,SCHGZWBTRJZRAW-UHFFFAOYSA-N
-rxn:4:187116:223599,Cc1cc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c(OCC2CCOCC2)c([N+](=O)[O-])c1,IPMCDPBAVYHFDP-UHFFFAOYSA-N
-rxn:4:187118:223587,COC(=O)CN1CCC(c2ccc(-c3c(F)ccc(OCc4cc(OC)cc(OC)c4)c3F)cc2)CC1=O,BLKALPQINMLUGJ-UHFFFAOYSA-N
-rxn:4:187135:224313,COc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)cc(OC)c1C(=O)N1CCOCC1,FSHIFUQGAWQULR-UHFFFAOYSA-N
-rxn:4:187146:223895,CCN1CCN(CCOc2ccc(-c3ccc(F)cc3CC(=O)N3CCCC(C(F)(F)F)C3)cc2)CC1,DBNXNLWCDARFFL-UHFFFAOYSA-N
-rxn:4:187148:225052,CC1CCCCN1c1cc(F)cc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)c1,KUKAMUCETQPPTM-UHFFFAOYSA-N
-rxn:4:187196:224022,COc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1CN1CCOCC1,STYBJQXLMXIMJX-UHFFFAOYSA-N
-rxn:4:187210:224368,COC(=O)C1CCN(Cc2cc(F)ccc2-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)CC1,TYCHARMZKFJMNH-UHFFFAOYSA-N
-rxn:4:187323:224734,CC1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3OCC3CC3)cc2OC(F)(F)F)CC1,JJTUUQNGQOWPJO-UHFFFAOYSA-N
-rxn:4:187447:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1CCC(=O)N1CCC2(CC1)CC2(F)F,XDTIKKWAURRZOL-UHFFFAOYSA-N
-rxn:4:187483:222693,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(OC)c1,BVUIZHGUIALWFE-UHFFFAOYSA-N
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-rxn:4:191125:227118,Cc1c(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)cc1C1CC1,VOVSEJBETZOUTD-UHFFFAOYSA-N
-rxn:4:191127:222608,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cc1O2,XZGPPBDYMUCIIK-UHFFFAOYSA-N
-rxn:4:191127:225878,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cc(Cl)cc(N4CCOCC4)c3)cc1O2,YMWPOWGEGPPHEE-UHFFFAOYSA-N
-rxn:4:191195:225627,COc1cccc(-c2csc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)c2)c1,DOMZDZXRFGNUAG-UHFFFAOYSA-N
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-rxn:4:193236:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(F)cc3C(=O)N3CCOCC3)cc2C1,QCKHSFYYMCEPMN-UHFFFAOYSA-N
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-rxn:4:193518:222607,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc1,IYWTXIFGGUBDLN-UHFFFAOYSA-N
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-rxn:4:193579:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1ccc(N2CCCCC2)c(C(F)F)c1,BGKHHXYDRRYBEB-UHFFFAOYSA-N
-rxn:4:193613:223712,COc1ccc(-c2cc(C(=O)N3CCOCC3)c(F)cc2C)cc1C12CC3CC(CC(C3)C1)C2,YCBKHQZPWBHVEB-UHFFFAOYSA-N
-rxn:4:193644:222732,O=C(NC1CCCCC1)c1ccc(-c2ccc(C(F)(F)F)c(N3CCCC(F)(F)C3)c2)cc1,HPWPQQOVHPPNQR-UHFFFAOYSA-N
-rxn:4:193683:222582,C[C@H]1COCCN1Cc1ccc(F)c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c1,IOMCHQRLOJNLRF-IBGZPJMESA-N
-rxn:4:193845:222723,CS(=O)(=O)N1CCC(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)CC1,RQELQYQYLCOJTO-UHFFFAOYSA-N
-rxn:4:193895:222538,COc1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc(N2CCC(C)CC2)c1,KMMRCIQEMOWMGX-UHFFFAOYSA-N
-rxn:4:193895:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)cc(N4CCC(C)CC4)c3)c(F)c2)CC1,FKUMGLPRECXACI-RQNOJGIXSA-N
-rxn:4:193954:224485,Cc1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,COYOBKRCBMGSIV-UHFFFAOYSA-N
-rxn:4:194730:224764,COC1CCN(C2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4F)ccc32)CC1,PXHWQUKTGDRUJX-UHFFFAOYSA-N
-rxn:4:194747:223936,CC(C)(C)OC(=O)n1c(-c2cccc3c2CCN(C(=O)C2CCCCC2)C3)cc2c(F)cccc21,ZNAWYHAUHYANCB-UHFFFAOYSA-N
-rxn:4:194750:222959,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)ccc1C1CCNCC1,YKEMHBVBIDGPAP-UHFFFAOYSA-N
-rxn:4:194755:226521,COc1cc(OC)c(-c2cccc3c2CCCC3N2CCCC(C(F)(F)F)C2)c(OC)c1,WFGCZQMWHDNUKI-UHFFFAOYSA-N
-rxn:4:194767:222863,CCCCNC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)ccc1Cl,BNEDXDSIHYBKFZ-UHFFFAOYSA-N
-rxn:4:194798:222923,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(C)c(S(=O)(=O)NC6CC6)c5)cc4)C(=O)C23)cc1,WEYOBMLPDMMKQC-UHFFFAOYSA-N
-rxn:4:194822:225101,CCN(CC)C(=O)c1cc(-c2ccc(C=NC3C4CC5CC(C4)CC3C5)cc2)ccc1Cl,GKDRTIKIMBGRJI-UHFFFAOYSA-N
-rxn:4:197673:223570,CC(=O)N1C(=O)C(=O)c2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc(C)c21,AXYUCVJDXVWBCF-UHFFFAOYSA-N
-rxn:4:197962:222746,CC(C)(C)OC(=O)NCc1ccc(-c2cc3c(cc2[N+](=O)[O-])C(C)(C)CCC3(C)C)cc1,DXCRECCXAOKPAD-UHFFFAOYSA-N
-rxn:4:197983:222447,COc1ccc2c(c1-c1ccc3c(c1)CCCC3N1CCOC(C)C1)N=C(NC(=O)OC(C)(C)C)C2,RWTQRVWYRMFJMG-UHFFFAOYSA-N
-rxn:4:197987:222818,COC(=O)c1cc(-c2cccc3c2CCCC3N2CCCC(C)C2)c(F)cc1NC(C)=O,IKTRCJBIFZJPKK-UHFFFAOYSA-N
-rxn:4:198013:222724,CC(=O)C1=C2CCCN2c2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)ccc2S1(=O)=O,DOIINBXJKOOAEK-UHFFFAOYSA-N
-rxn:4:198071:222999,CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1C2c1ccc(-c2cc(Cl)cc(C3CCCNC3)c2)cc1,SMRZAEFDCYGHGS-UHFFFAOYSA-N
-rxn:4:198839:223482,O=S(=O)(c1cc(-c2cc(F)c3nccc(Cl)c3c2F)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,XSJRNQQYWZDJDP-UHFFFAOYSA-N
-rxn:4:199500:224486,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cccc(C(=O)N(C(C)C)C(C)C)c2)cn1,ODBNFLGQRUIOHW-UHFFFAOYSA-N
-rxn:4:199500:224849,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(C3CCCC3)cc(C3CC3)c2)cn1,XRSGHZRVSMGNCW-UHFFFAOYSA-N
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-rxn:4:203901:222638,COC(=O)c1nc(N2CCC(C)CC2)ccc1-c1cccc(C(C)NC(=O)OC(C)(C)C)c1,HAZPBHPJQSZSDA-UHFFFAOYSA-N
-rxn:4:203906:223557,COC(=O)c1cc(F)c(N2CCN(C)CC2)cc1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,YRIBDUJCBGMXDI-UHFFFAOYSA-N
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-rxn:4:204034:224686,CN(C)C1CCN(c2c(-c3ccc(C(=O)N4CCCCC4)cc3F)cccc2C(F)(F)F)CC1,AXMIZIOPIFURSW-UHFFFAOYSA-N
-rxn:4:204034:225906,CON(C)C(=O)c1cc(F)cc(-c2cccc(C(F)(F)F)c2N2CCC(N(C)C)CC2)c1,JVBSRBZRTRDOMK-UHFFFAOYSA-N
-rxn:4:204055:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCCN(C2CCSC2)CC1,ZKOWZHDIIWTQMW-UHFFFAOYSA-N
-rxn:4:204068:222724,CC(C)(C)C(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,KPVPJYHBSJXCJJ-UHFFFAOYSA-N
-rxn:4:204093:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cncc(CC2CCCN(C(C)C)CC2)c1,DMRPYTRTONBONK-UHFFFAOYSA-N
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-rxn:4:204109:225047,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cnc1N1CCC(C)CC1,ZAJKJTGWWOTKOB-UHFFFAOYSA-N
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-rxn:4:204135:222415,NS(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccc1F,NIGRMLYROAYLPY-UHFFFAOYSA-N
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-rxn:4:204174:225828,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCCCC5)nc4)cc3C)CC2)cc1Cl,MFCGXJZROSZOSJ-UHFFFAOYSA-N
-rxn:4:204184:226364,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccc(N2CCCCC2)nc1,REUWNVIYBHVVPI-UHFFFAOYSA-N
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-rxn:4:204697:227957,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccc(C(C)C)nc2C)cc1,DRQNMQWRLPKXNZ-UHFFFAOYSA-N
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-rxn:4:204764:223421,CNC(C)c1ccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)s1,LOKDWUZRTMAQBK-UHFFFAOYSA-N
-rxn:4:204780:222923,Cc1ccc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc1S(=O)(=O)NC1CC1,OHHZLXZXZGBBMU-UHFFFAOYSA-N
-rxn:4:204780:223263,CNC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,FYMXXGQMEHVHBT-UHFFFAOYSA-N
-rxn:4:204781:223784,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc2F)CC1,PBFDLEDKZGYZPS-UHFFFAOYSA-N
-rxn:4:204833:224336,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(N2CCCCC2)cc1C(F)(F)F,LQUNOBUBMKXRHJ-UHFFFAOYSA-N
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-rxn:4:206491:223606,COc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)n1C1CCOCC1,CWNVXBPMRSYIHJ-UHFFFAOYSA-N
-rxn:4:206706:222546,CC1CN(C(=O)c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CCO1,HCRGTDJQWJXZDH-UHFFFAOYSA-N
-rxn:4:206768:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc(N3CCC(F)(F)CC3)c([N+](=O)[O-])cc2F)C1,INXNNJYMRXODON-UHFFFAOYSA-N
-rxn:4:206807:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c2)CC1,CGXOSZUTKXWVNO-UHFFFAOYSA-N
-rxn:4:207462:224011,CCn1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)c1C12CSCCC1O2,SPKXDPMVSFMQLJ-UHFFFAOYSA-N
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-rxn:4:207736:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(OC4CC5CCC(C4)N5C)nc3)c2)CC1,FNMBSCMZFBAPGX-UHFFFAOYSA-N
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-rxn:4:207779:224691,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1)N1CC2(COC2)C1,VAEQOWQYVZDGBS-UHFFFAOYSA-N
-rxn:4:207843:225312,CCN1CCN(C2CCCc3cc(-c4cnc(N5CCCN(C)CC5)nc4)ccc32)CC1,VXVMHZXQTLPHCS-UHFFFAOYSA-N
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-rxn:4:207959:223055,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCNCC5)nc4C)ccc2OC3C2CCCCC2)cc1,KJLPOTGAJLHTPX-UHFFFAOYSA-N
-rxn:4:207959:225952,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCOCC5)nc4C)ccc2OC3C2CCCCC2)cc1,LBMWDPMXAOBSLP-UHFFFAOYSA-N
-rxn:4:207959:227386,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCCCC5)c4)ccc2OC3C2CCCCC2)cc1,IOQUFZXKLASQKY-UHFFFAOYSA-N
-rxn:4:210690:223712,COc1ccc(-c2cnn(C)c2C23COCCC2O3)cc1C12CC3CC(CC(C3)C1)C2,SQTJINQYUYXTAV-UHFFFAOYSA-N
-rxn:4:210863:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc4sc(N5CCOCC5)nc34)c2Cl)CC1,VZERNIYVKBCEQP-UHFFFAOYSA-N
-rxn:4:211060:224634,COc1ccc(-c2ccc3c(c2)CCCC3N2CCN(C)CC2)cc1CN1CCOCC1,MMFBZYBMJZPVNB-UHFFFAOYSA-N
-rxn:4:211101:225832,Cc1ccc(C2=NN3C(C2)c2cc(-c4c(C)nn(C5CCCCO5)c4C)ccc2OC32CCC(C)CC2)cc1,SAMPZCDMORAZIJ-UHFFFAOYSA-N
-rxn:4:211103:223712,CCN1CCn2c3c(c4cc(-c5ccc(OC)c(C67CC8CC(CC(C8)C6)C7)c5)ccc42)CCCC31,YTQKXWILTWILIH-UHFFFAOYSA-N
-rxn:4:212520:224420,Cc1cc2c(cc1-c1cnn(CCN(C)C(=O)OC(C)(C)C)c1)C(C)(C)CCC2(C)C,SAPOAOUEOLAJNO-UHFFFAOYSA-N
-rxn:4:212555:224100,CC1CCN(CCOc2ccccc2-c2cnc(OC3CCN(C(=O)COc4ccc(F)cc4)C3)nc2)CC1,DEXYNZYAVZVNCO-UHFFFAOYSA-N
-rxn:4:212585:225534,CCN(CC)Cc1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C(C)C)cc1Cl,LMZWJIMJEKYLJU-UHFFFAOYSA-N
-rxn:4:212615:224244,CC1CCN(C(=O)c2cc(-c3cncc(C(=O)OCC(=O)N4CCN(c5ccc(F)cc5)CC4)c3)ccc2Cl)CC1,SMHVULCOJNBUBG-UHFFFAOYSA-N
-rxn:4:212630:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)CC1,YNQOEUXNPUVEGW-UHFFFAOYSA-N
-rxn:4:212630:224318,CN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCC(COc5ncccc5C(F)(F)F)C4)c3)cc2F)CC1,IKTOFSCLLFLZOY-UHFFFAOYSA-N
-rxn:4:212631:225435,O=C(c1cncc(-c2ccccc2CN2CCCCC2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,GSTCWNWWGRNJAE-UHFFFAOYSA-N
-rxn:4:212650:222584,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,JVPYGQBCIRUONK-UHFFFAOYSA-N
-rxn:4:212690:225107,CCN(CC)C(=O)c1cccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCCC2)c1F,PADONPAKQNSYQW-UHFFFAOYSA-N
-rxn:4:212729:225215,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccnc(N6CCC(C)CC6)c5Cl)cc4)C3)n2)cc1OC,GIEANCOFHQVSFU-UHFFFAOYSA-N
-rxn:4:212732:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc(S(=O)(=O)c4ccc(C(=O)N5CCN(Cc6ccccc6)CC5)cn4)cc3)c2)C1,NEAQHJWWQYCIBA-UHFFFAOYSA-N
-rxn:4:212732:225126,O=C(c1ccc(S(=O)(=O)c2ccc(-c3cc(F)ccc3OCC3CCCO3)cc2)nc1)N1CCN(Cc2ccccc2)CC1,NKLUJHJDBBKKRL-UHFFFAOYSA-N
-rxn:4:212743:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)cc(C(F)(F)F)c1,CCEOGXHYHJYNML-UHFFFAOYSA-N
-rxn:4:212751:224833,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(-c4ncon4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,ZKVGOXSAMIZGCU-UHFFFAOYSA-N
-rxn:4:212775:224819,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21,GGIOPNACJQZQAE-UHFFFAOYSA-N
-rxn:4:212833:225975,Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccccc3-c3ccnc(N4CCOCC4)c3Cl)nc2c1,GFQOWHORQFDSQW-UHFFFAOYSA-N
-rxn:4:212838:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccccc1N1CC(c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O,BIBZOGKFAHIDTP-UHFFFAOYSA-N
-rxn:4:212849:226119,Cc1ccc(OCC2CC2)c(-c2ccccc2C(=O)N(Cc2ccccc2)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1,UEOUCNYVQMZZAQ-UHFFFAOYSA-N
-rxn:4:212854:223815,COC(=O)Cn1nc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1CC#N,NHCGRLOQJZBBNG-UHFFFAOYSA-N
-rxn:4:212917:224670,COC(=O)CN1CCC(Cn2cc(-c3cc(CN4CCN(C)CC4)ccc3F)cn2)CC1,KNDRGAYOLRMMTC-UHFFFAOYSA-N
-rxn:4:212935:224401,FC(F)(F)c1cnc(N2CC(COc3cccnc3)C2)c(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)c1,XJMZIRFJHREBIY-UHFFFAOYSA-N
-rxn:4:212938:223945,CCC(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,KQTZSDXVXNOWQB-UHFFFAOYSA-N
-rxn:4:212939:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)c(F)c1,KGYGBGFGMLFPMC-UHFFFAOYSA-N
-rxn:4:212986:225109,CCOC(=O)C1CCN(Cc2nn(C)cc2-c2cccc(OC(=O)OC(C)(C)C)c2)CC1,UUNTZRZGDNKVGO-UHFFFAOYSA-N
-rxn:4:212988:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3N3CCOCC3)n2)CC1,PZGOFWQAFNUNFX-UHFFFAOYSA-N
-rxn:4:213017:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(OC)cc3C(=O)N3CC(Cn4cc(C)cn4)C3)c2)C1,ZUVAYVQAHRIYBE-UHFFFAOYSA-N
-rxn:4:213064:224246,CC1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cn5)CC4)c3)cc2F)CC1,CVQGHBCJAVPXOC-UHFFFAOYSA-N
-rxn:4:213075:222492,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(NC(=O)OCc4ccccc4)c(F)c3)n2)CC1,TVMHBJMJYUGALB-UHFFFAOYSA-N
-rxn:4:213098:223184,CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(-c3cnc(N4CCNCC4)nc3)c2)CC1,HCYVFMVXYALENA-UHFFFAOYSA-N
-rxn:4:213105:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cccnc2OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)c1,PUTIYRSXMIEMOQ-UHFFFAOYSA-N
-rxn:4:213132:222584,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,SNHCPIGIDPGGOI-UHFFFAOYSA-N
-rxn:4:213137:226686,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1c(C)cnn1C1CCCCO1,RUIDXBXJSHBSJD-UHFFFAOYSA-N
-rxn:4:213151:224800,CC(C)Oc1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC(F)(F)F,IFJDPYHMPQVSEY-UHFFFAOYSA-N
-rxn:4:213167:223670,CC1CC(C)CN(c2oc(COc3ccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2C#N)C1,OVZHIYAEACRMIG-UHFFFAOYSA-N
-rxn:4:213170:224490,O=S(=O)(c1cccc(-c2ccccc2OCCN2CCCCC2)c1)N1CCN(CCc2ccccn2)CC1,YILNYHVQJAVRFD-UHFFFAOYSA-N
-rxn:4:213177:222730,CCCc1cc(-c2cncc(C(=O)N3CCCC(COc4cccc(C)n4)C3)c2)cc(C2CCNCC2)n1,JIVTUQBROULHKR-UHFFFAOYSA-N
-rxn:4:213184:223522,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)CC2)nc1,RVUOYXWFOOTPRL-UHFFFAOYSA-N
-rxn:4:213196:222634,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,DHHYEAXWFCVIII-UHFFFAOYSA-N
-rxn:4:213215:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,ADVCLTLGTVGTCR-UHFFFAOYSA-N
-rxn:4:213216:226307,COCc1cc(C)cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1OC,FIBKXKBSGVZENF-UHFFFAOYSA-N
-rxn:4:213230:226249,CCCCOc1cc(Cl)cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,PGPNZFZZGOCGEC-UHFFFAOYSA-N
-rxn:4:213247:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(C(=O)C5(c6ccccc6)CCOCC5)C4)c3)c(F)c2)CC1,OAKPAMDMHOAEBW-UHFFFAOYSA-N
-rxn:4:213251:225318,CN(Cc1ccccc1)c1ncc(S(=O)(=O)N2CCCCC2)cc1-c1c(F)cc(N2CCOCC2)cc1F,GCTDEBDJMZKVHE-UHFFFAOYSA-N
-rxn:4:213259:225103,CCN(CC)C(=O)c1cc(Cl)cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)c1,CFMNFCNNDVYDDX-UHFFFAOYSA-N
-rxn:4:213264:222633,O=C(NCCN1CCCC1)c1ccc(-c2ccc(CC(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)cc1,MWBYERPVQIQROS-UHFFFAOYSA-N
-rxn:4:213268:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1,QXXRYNWWCZGERG-DFBJGRDBSA-N
-rxn:4:213268:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1,RVEWBJIDNLRMLG-UUOWRZLLSA-N
-rxn:4:213268:223771,COc1ccc2c(c1)cc(-c1ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc1)n2C(=O)OC(C)(C)C,YJTPGEUJOYPOKI-MMTVBGGISA-N
-rxn:4:213290:226231,CCCCOc1ncc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)cc1C,JOORSIWAFYWMEJ-UHFFFAOYSA-N
-rxn:4:213374:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n4CC)c2)CC1,SITBAHPQJVNXBD-UHFFFAOYSA-N
-rxn:4:213412:222729,CCCc1cc(-c2ccc3c(C(=O)N4CCC(S(=O)(=O)CC(C)C)CC4)n(C)nc3c2)cc(C2CCCNC2)n1,KLEKIJYVONZDBV-UHFFFAOYSA-N
-rxn:4:213412:223240,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(C5CCNC5)nc4)cc3nn2C)CC1,SUKZBECRNNNBDQ-UHFFFAOYSA-N
-rxn:4:213480:222769,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)NC5CCCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FWFQFKWAIVMECT-KIESAQMKSA-N
-rxn:4:213480:222804,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(NC5CCS(=O)(=O)CC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OOPJFUHJSALUIN-QPYSNBRXSA-N
-rxn:4:213604:222624,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cn2)C1,JSSUHMGQWATNPH-UHFFFAOYSA-N
-rxn:4:213629:224405,CC(C)(C)OC(=O)N1CC(n2nccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)C1,BUUDWKNHAOQRFF-UHFFFAOYSA-N
-rxn:4:213653:224669,CN1CCN(Cc2ccc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)c(F)c2)CC1,RIYKLRBYCOWVQD-UHFFFAOYSA-N
-rxn:4:213693:222915,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(C(=O)NC3=NCCS3)cc2)cn1,XYBAUWWODZDGIJ-UHFFFAOYSA-N
-rxn:4:213713:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)cc1,SNLISFMDNBMZOF-SFHVURJKSA-N
-rxn:4:213753:224371,COC(=O)C1CCN(c2ncc(-c3cnn(CC4CN(CC5CCCC5)C4)c3)cn2)CC1,SCQFOYMKOXBSCV-UHFFFAOYSA-N
-rxn:4:213759:225172,CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2cc(CN3CCOCC3)ccc2F)cn1,XXOZMHHELJKAMK-UHFFFAOYSA-N
-rxn:4:213765:224171,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCCC4)c(F)c3)n2)C1,XYMKOSHNZLKQMD-UHFFFAOYSA-N
-rxn:4:213801:222634,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,VKTXOKBZXKSRKJ-UHFFFAOYSA-N
-rxn:4:213834:223039,CC(C)NC(=O)c1cc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,PNADXOUWSVHQGY-UHFFFAOYSA-N
-rxn:4:213839:224718,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCN3CCOCC3)nc2)CC1,PESCXFAYEBDTSO-UHFFFAOYSA-N
-rxn:4:213842:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cncc(CC(=O)N3CCN(C(C)C)CC3)c2)cc1,DYNMTAMTWQDBME-UHFFFAOYSA-N
-rxn:4:213871:225312,CN1CCCN(c2ncc(-c3cnc(OC4CCCN(S(=O)(=O)c5ccc(F)c(F)c5)C4)nc3)cn2)CC1,PWOLOZPNMRCXMP-UHFFFAOYSA-N
-rxn:4:213872:224884,CC1CCN(Cc2cccc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)c2)CC1,IQTRBONPPXXXPB-UHFFFAOYSA-N
-rxn:4:213877:225898,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,VCZGLFHZMJQVKQ-UHFFFAOYSA-N
-rxn:4:213894:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,BPBUOXYSLCOLIS-UHFFFAOYSA-N
-rxn:4:213894:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,DBBMEFFFCCJDRZ-UHFFFAOYSA-N
-rxn:4:213897:222886,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCNCC3)cc2C#N)CC1,AYSKZVDPTFFBSW-UHFFFAOYSA-N
-rxn:4:213898:225984,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,GESHWXAOLUDYQU-UHFFFAOYSA-N
-rxn:4:213903:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cccc(C(=O)N4CCN(Cc5ccccc5)CC4)n3)c2)CC1,NTQUKWINBRSDKB-UHFFFAOYSA-N
-rxn:4:213937:222889,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(CN4CCNCC4)c3)CC2=O)ccn1,QGRBDSJVAVUZBO-UHFFFAOYSA-N
-rxn:4:213937:224742,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(C4OCCO4)c(OC)cc3OC)CC2=O)ccn1,HOYHRAXZDCBHRV-UHFFFAOYSA-N
-rxn:4:213963:222546,Cc1cnc(OC2CCN(Cc3ccc(F)c(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)CC2)nc1,AGHOOYJGCMJCRL-UHFFFAOYSA-N
-rxn:4:213969:225123,O=C(c1ccc(-c2ccncc2OCC2CCCCO2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,ZCPOBAWPVMASBO-UHFFFAOYSA-N
-rxn:4:213973:224675,N#Cc1ccc(-c2ncc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2Cl)cc1,OTRBBLALLHODBK-UHFFFAOYSA-N
-rxn:4:213989:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OCC2CCCN(C3CCOCC3)C2)nc1,QADNQWXVEYMVIQ-UHFFFAOYSA-N
-rxn:4:214012:222960,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)c1,DPFPHUTVEBHFIN-UHFFFAOYSA-N
-rxn:4:214026:223115,CC(=O)NCCc1ccc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,CQQZNHXVIDFXQR-UHFFFAOYSA-N
-rxn:4:214033:223306,CC(C)[C@H]1COC(c2cc(-c3ccc4c(c3)CNCC4)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,VFBZCOYZQYNPLU-DNQXCXABSA-N
-rxn:4:214033:228455,COc1ncc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(OC)n1,COVAHFCRNQJILW-RTBURBONSA-N
-rxn:4:214056:227251,CCCOc1ccc(F)cc1-c1ccccc1-c1ccc(C=C2SC(N3CCN(C(C)=O)CC3)=NC2=O)o1,YOOFUFHOVOKMIE-UHFFFAOYSA-N
-rxn:4:214146:225898,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2cnn(CCN3CCOCC3)c2)C1,PJXWJHRZUKWPPZ-UHFFFAOYSA-N
-rxn:4:214153:222986,Cc1cc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc(C2CCCNC2)n1,OKULVFCHVKDVDZ-UHUGOGIASA-N
-rxn:4:214153:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)cc2)CC1,BDJQYOFWHBVTCV-WOIUINJBSA-N
-rxn:4:214274:223034,CC(C)(C)NC(=O)c1cncc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)c1,ZITGXBRCOMCAHA-UHFFFAOYSA-N
-rxn:4:214323:224669,CN1CCN(Cc2ccc(-c3ccc4ccn(CC(=O)N5CCN(C6CCS(=O)(=O)C6)CC5)c4c3)c(F)c2)CC1,PLRLVNAMLYZSTP-UHFFFAOYSA-N
-rxn:4:214698:223602,CCCc1nc(N2CCN(C)CC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,DLAXBSTZDDAQBF-UHFFFAOYSA-N
-rxn:4:214700:222537,CCN1CCN(Cc2cncc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)c2)CC1,LOBRJILIQFIJSG-UHFFFAOYSA-N
-rxn:4:214705:223992,Cc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)CC3)cn2)cc1S(=O)(=O)N1CCN(C)CC1,DBJRZWOCWDQZNN-UHFFFAOYSA-N
-rxn:4:214748:224195,CCN1CCN(Cc2cc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)ccc2Cl)CC1,UVWQCDCGXPEQGS-UHFFFAOYSA-N
-rxn:4:214753:223897,Cc1ccc(-c2cnc(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)cc1OCCCN1CCOCC1,DLLGMPVAHGYVBF-UHFFFAOYSA-N
-rxn:4:214773:223568,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)CC1,AGDBNQPPVYNPFT-UHFFFAOYSA-N
-rxn:4:214830:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c2)CC1,TXGKZMIVWPIODZ-UHFFFAOYSA-N
-rxn:4:214835:224663,CN1CCN(Cc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2F)CC1,FJCNHSXIUKQDTQ-UHFFFAOYSA-N
-rxn:4:214839:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,XYTUENRKGDSFSE-UHFFFAOYSA-N
-rxn:4:214839:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,OHWGOGHESPHUBL-UHFFFAOYSA-N
-rxn:4:214855:225688,Clc1cc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cnc1C1CCCCC1,IGJVQYGOGMYANX-UHFFFAOYSA-N
-rxn:4:214855:225984,Clc1ncc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1N1CCOCC1,FLSHBLAYNRRSGS-UHFFFAOYSA-N
-rxn:4:214859:222583,Cn1ccc(C2CCCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)C2)n1,NPDBPGHDGBQZJN-UHFFFAOYSA-N
-rxn:4:214870:227757,O=C(C1CCCN(c2ncc(Cl)cc2-c2cc(Cl)cc(C(F)(F)F)c2)C1)N1CCOCC1,VKMCNIBZCDIKHJ-UHFFFAOYSA-N
-rxn:4:214871:226021,O=C(C1CCCN(c2ncc(-c3cc(Cl)ccc3OCC(F)(F)F)cc2Cl)C1)N1CCOCC1,RZKGTZXCTGLCTI-UHFFFAOYSA-N
-rxn:4:214880:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1Cl,FODZVXIHTKMPAF-UHFFFAOYSA-N
-rxn:4:214883:222800,Cc1cc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc(C)c1S(=O)(=O)NC(C)C,BYONCIPGUSOIHX-UHFFFAOYSA-N
-rxn:4:214884:222892,COc1cc(N2CCNCC2)ccc1-c1cc(Cl)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,DLNBCWORFPOKCD-UHFFFAOYSA-N
-rxn:4:214886:224063,CC1CCCN(c2cc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(F)c3)cc(C3CC3)c2)C1,PKSILRMEYGKFLP-UHFFFAOYSA-N
-rxn:4:214888:222603,COc1cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)c(Cl)cc1NC(=O)OC(C)(C)C,JELNLQWQAPFHDS-UHFFFAOYSA-N
-rxn:4:215063:224421,CC(C)c1cc(C(C)C)c(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CC3)c(C(C)C)c1,NSMIBYLCIZVSOI-UHFFFAOYSA-N
-rxn:4:215132:222514,COc1ccc(-c2ccc3nc(N4CCN(C(=O)c5ccco5)CC4)sc3c2)cc1S(=O)(=O)NC1CCCCC1,OLRVVRIJJIIALX-UHFFFAOYSA-N
-rxn:4:215170:225531,CCN(CC)Cc1cc(F)ccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,TWSUPBCFLURUGX-UHFFFAOYSA-N
-rxn:4:215216:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)sc4c3)c2)CC1,ISKDPSHNCGURJA-UHFFFAOYSA-N
-rxn:4:215249:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(CSC4=Nc5ccccc5C5=NC(=O)CN45)cc3)cc2)CC1,XSUPXDUNIMSXMZ-UHFFFAOYSA-N
-rxn:4:215276:223557,COc1cccc(C2=NN3C(C2)c2cc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc2OC3c2ccncc2)c1,VKYXQXXCNZJEOH-UHFFFAOYSA-N
-rxn:4:215277:222545,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)ccc2OC3c2ccncc2)cc1,AXUCHPWIFQRTOV-UHFFFAOYSA-N
-rxn:4:215288:222845,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4ccc(C(C)N5CCNCC5)cc4)cc2)C1=O)C3,KYFUZOKMCUVJJB-UHFFFAOYSA-N
-rxn:4:215295:226992,CCOC(C)c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1,KBSFNRFPPWTOIS-UHFFFAOYSA-N
-rxn:4:215688:223748,O=[N+]([O-])c1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)nc(N2CCCC2)c1,OMDTXBGNHRZBPE-UHFFFAOYSA-N
-rxn:4:215766:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCOCC4)cnn3C)cc2F)CC1,HQAXOAILQZQWDB-UHFFFAOYSA-N
-rxn:4:215852:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(N4CCOCC4)nc(C4CC4)n3)c2)CC1,LKRARAHPILAXEI-UHFFFAOYSA-N
-rxn:4:215862:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cnc(Cl)cc2C(=O)N2CCN(C)CC2)c1,MPINFBJSQFKOCM-INIZCTEOSA-N
-rxn:4:215900:222723,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)nc2)CC1,GPIXALWXYRTWKW-UHFFFAOYSA-N
-rxn:4:215907:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)nc3)cc2)CC1,GFJYSMBFQJSGER-UHFFFAOYSA-N
-rxn:4:215914:224770,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)cc(S(=O)(=O)N2CCCC2)c1,TZRQWQRBTHVSGH-UHFFFAOYSA-N
-rxn:4:215942:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,RBLRQNKDAMTHTH-YHBQERECSA-N
-rxn:4:215943:222584,CN(C)C1CCN(c2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ccn2)CC1,MMGRZKFCTISBGT-UHFFFAOYSA-N
-rxn:4:215962:223712,COc1ccc(-c2nc(C3CC3)cc(N3CCCCC3C)n2)cc1C12CC3CC(CC(C3)C1)C2,LPSRFCQDPVENRW-UHFFFAOYSA-N
-rxn:4:215990:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(N2CCN(C3CCN(C)CC3)CC2)cc1,LFPYJOWXNOSXCJ-UHFFFAOYSA-N
-rxn:4:216218:224065,COc1nc(N2CC3CCCC3C2)ncc1-c1cc(C2CC2)cc(N2CCC(C)CC2)c1,CLDIRGSYSPFTCZ-UHFFFAOYSA-N
-rxn:4:216221:223602,CC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3s2)CC1,LUIRPEBGFODYOE-UHFFFAOYSA-N
-rxn:4:216231:224662,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1cc(F)ccc1CN1CCN(C)CC1,BLEBKMRMABAZIL-UHFFFAOYSA-N
-rxn:4:216319:225212,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cc(F)cc(N5CCN(C)CC5)c4)ccc3S2(=O)=O)n1,HSLQQMUBQHRPTK-UHFFFAOYSA-N
-rxn:4:217205:223712,COc1ccc(-c2cc(N3CCCC(C)C3)nc(C)n2)cc1C12CC3CC(CC(C3)C1)C2,DVTNPARRWVGAJL-UHFFFAOYSA-N
-rxn:4:217792:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)ccc2F)CC1,FGUNYDUQKWRBGW-UHFFFAOYSA-N
-rxn:4:217889:223970,Cc1ccc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc1S(=O)(=O)N1CCC(C)CC1,NJQPEPXKOMWSST-UHFFFAOYSA-N
-rxn:4:217905:222839,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(NCC5CCCCC5)nc4)ccc2OC32CCN(C)CC2)o1,JQXMEZWOTBIKPZ-UHFFFAOYSA-N
-rxn:4:218558:223659,CCn1c(SCC(=O)c2ccc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)nnc1-c1ccncc1,RIDKSEGLCFPJAS-UHFFFAOYSA-N
-rxn:4:218587:225178,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(CN5CCOCC5)cc4F)cn3)CC2)cc1,ZDFQGZROOHOUKM-UHFFFAOYSA-N
-rxn:4:218606:224403,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)cn2)C1,VCQGLMRHUQVXEK-UHFFFAOYSA-N
-rxn:4:218652:224969,Cc1cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1C(=O)OC(C)(C)C,JYJZIORUMXLJMD-UHFFFAOYSA-N
-rxn:4:218686:223695,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)CC2)CC1,LVGCQTVVWHKOAY-UHFFFAOYSA-N
-rxn:4:218704:225775,COC(=O)c1cc(-c2ccc(-c3cc(N4CCCN(C(=O)COc5ccc(Cl)cc5C)CC4)[nH]n3)cc2)cc(OC)c1C,HFFNCLKBAHKRSK-UHFFFAOYSA-N
-rxn:4:218710:229153,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnn(C)c4C#N)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WVQYOVYKNPHGOU-UHFFFAOYSA-N
-rxn:4:218746:224666,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5ccc(F)c(CN6CCN(C)CC6)c5)cc4)nnc3s2)C1,VYQXHLSTWSEVBC-UHFFFAOYSA-N
-rxn:4:218767:222694,Cn1cc(CC(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c2ccccc21,UJDUMDGWUMZOFQ-UHFFFAOYSA-N
-rxn:4:218804:223482,N#Cc1cccc(CN2CC(Cn3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)C2)c1,YASVGLCOOGDHSR-UHFFFAOYSA-N
-rxn:4:218824:224718,CN(CC1CN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1)S(=O)(=O)C1CC1,VZRLMEPAPRHPLV-UHFFFAOYSA-N
-rxn:4:218867:223185,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CNCCO4)nc3)c2)no1,GYWMSMCQTWKLMC-UHFFFAOYSA-N
-rxn:4:218867:225852,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)nc3Cl)c2)no1,GDHRBGPGKDANJT-UHFFFAOYSA-N
-rxn:4:218867:227610,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccn(C4CCCCO4)n3)c2)no1,PTPMWAKXSAMATI-UHFFFAOYSA-N
-rxn:4:218868:226649,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3N3CCOCC3)cc2)no1,QIGFVOBKUTWQGU-UHFFFAOYSA-N
-rxn:4:218868:226659,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCC4)c(Cl)c3)cc2)no1,XEJPMXQBFDCNLP-UHFFFAOYSA-N
-rxn:4:218883:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C(=O)c4cccnc4)C3)nc2)CC1,BIINMAAXBDRRLI-UHFFFAOYSA-N
-rxn:4:218885:223562,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,TYFKYYQKNYRKRH-UHFFFAOYSA-N
-rxn:4:218886:223572,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c4ccccc34)cn2)C1,HEYBECOHIPVNEN-UHFFFAOYSA-N
-rxn:4:218888:222546,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,FJWVDQLIWJCFDB-UHFFFAOYSA-N
-rxn:4:218897:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)ccc2Cl)CC1,GNUVZBIGICSGCU-UHFFFAOYSA-N
-rxn:4:218915:223533,Cc1nc(CN2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)cs1,VECRYHHFYOZXIT-UHFFFAOYSA-N
-rxn:4:218920:224756,COc1cnc(OC2CCN(C(=O)c3cncc(-c4cc(F)ccc4C(=O)N4CCOCC4)c3)CC2)nc1,GAZIYTFBXVOYKA-UHFFFAOYSA-N
-rxn:4:218945:227211,CCCCSc1ccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,NJNFTZXYIIAAEL-UHFFFAOYSA-N
-rxn:4:218976:223169,O=C1C(N2CCC(Oc3ncc(-c4cnc(C5CCNCC5)nc4)cn3)CC2)CCN1CC(F)(F)F,LQXQXJFPVAQYKB-UHFFFAOYSA-N
-rxn:4:218981:224401,O=C(Cn1cccc1-c1nc(-c2ccc(F)c(-c3ccc(C4COCCO4)c(C(F)(F)F)c3)c2)no1)N1CCOCC1,LAZAKOCIONHQSQ-UHFFFAOYSA-N
-rxn:4:218992:226198,CCCn1ncc2cc(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)ccc21,XETSVFUHIUHNQD-UHFFFAOYSA-N
-rxn:4:218998:226246,CCCCOc1cccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)c1F,SSSDMCVRRRUSID-UHFFFAOYSA-N
-rxn:4:219042:225512,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1cccc2cc([Si](C)(C)C)sc12,OXCCQMZFMAPSKL-UHFFFAOYSA-N
-rxn:4:219046:227275,CCCOc1c(F)cccc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,IHSFARQMPUYYLW-UHFFFAOYSA-N
-rxn:4:219047:225569,COC(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)ccc1C1CC1,KJFWXCMDBULSST-UHFFFAOYSA-N
-rxn:4:219048:222405,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)c2)N1,GDQCEPWRSAYXCO-UHFFFAOYSA-N
-rxn:4:219125:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2CCC(=O)N2C3CCC2CC(n2nccn2)C3)c1,XEKBVQXMBQRIBR-UHFFFAOYSA-N
-rxn:4:219127:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1ccnn1)C2,ZQVRJWPJGOUXDX-UHFFFAOYSA-N
-rxn:4:219128:224759,O=C(c1cc(F)cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c1)N1CCOCC1,SOPAMCVHBOSQMI-UHFFFAOYSA-N
-rxn:4:219130:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)ccc2C)CC1,YINKAPLYLKWWOS-UHFFFAOYSA-N
-rxn:4:219155:224459,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(N5CCCC5)c(C(C)(C)C)c4)c2)C3)nc1,URFUXNYREMMBPU-UHFFFAOYSA-N
-rxn:4:219198:223490,CCCn1c(=O)c2sccc2n2c(SCc3cccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)nnc12,GPIALCJEVHOYLP-UHFFFAOYSA-N
-rxn:4:219338:224326,Cc1cc(-c2cnc(OC3CCN(C(=O)N(C)C)CC3)nc2)ccc1S(=O)(=O)N1CCCCC1,PJLHJDMDUNBARK-UHFFFAOYSA-N
-rxn:4:219388:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)cc1,CTCBFPQQSVAQOP-UHFFFAOYSA-N
-rxn:4:219388:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)o1,NOXZKLFSDXDHDQ-UHFFFAOYSA-N
-rxn:4:219404:225979,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,FPLFFINWYPGXKM-UHFFFAOYSA-N
-rxn:4:219410:222894,CCCCS(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,BMVCJOGDAFITLY-UHFFFAOYSA-N
-rxn:4:219410:223176,CS(=O)(=O)NCc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,PGKQFPMRNKMGSP-UHFFFAOYSA-N
-rxn:4:219419:223588,Cc1nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)o3)CC2)cc(C(F)(F)F)n1,LYXXNYKSWQUBDT-UHFFFAOYSA-N
-rxn:4:219468:222546,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,NZQVCSMBZXZSSB-UHFFFAOYSA-N
-rxn:4:219468:222895,CCCCS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1,SBQWKFRPVKYQCX-UHFFFAOYSA-N
-rxn:4:219477:225168,O=C(c1ccccc1-c1ccc(CN2CCOCC2)c(F)c1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,XUNBIOWNVZIBIP-UHFFFAOYSA-N
-rxn:4:219499:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,RAZVWTMNIDSYPS-UHFFFAOYSA-N
-rxn:4:219499:227495,CCN(C)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)cn1,VFTVYXDQCKTXMI-UHFFFAOYSA-N
-rxn:4:219500:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cn1,YQODETZXZXMIFE-UHFFFAOYSA-N
-rxn:4:219532:227824,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(C2CCC2)cc1,ZHCOXQXEQGCQSK-UHFFFAOYSA-N
-rxn:4:219547:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(C(=O)N4CCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)c3)c2)CC1,GZDKJBVREHIFTC-UHFFFAOYSA-N
-rxn:4:219552:223817,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnn(CCN2C(=O)c3ccccc3C2=O)c1,FZOCXGLZNQWCLY-UHFFFAOYSA-N
-rxn:4:219552:226231,CCCCOc1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)cc1C,DJGCPVMUDZBAQW-UHFFFAOYSA-N
-rxn:4:219552:227948,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cc(C2CC2)cnc1C,QUKGRHIKLSPWNM-UHFFFAOYSA-N
-rxn:4:219562:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cncc(C(=O)N4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)c3)c2)C1,ZAGGWVVDKLGJOJ-UHFFFAOYSA-N
-rxn:4:219565:226659,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC5)c(Cl)c4)cc3)CC2)n1,SGSJUWDVSBPQRF-UHFFFAOYSA-N
-rxn:4:219591:223755,CC1CCN(CCCOc2ccc(-c3ccc4c(C(=O)N5CC(Oc6nccs6)C5)n(C)nc4c3)cc2F)CC1,BLUJVQKDLFZWGW-UHFFFAOYSA-N
-rxn:4:219624:224424,CCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nonc56)CC4)o3)cc2)CC1,BRXQDUZKXPIKEV-UHFFFAOYSA-N
-rxn:4:219638:222648,Cc1cc(C)c(-c2ccc3c(C4CCCN4C(=O)OC(C)(C)C)nnn3c2)cc1NC(=O)OC(C)(C)C,GRVWBVKDKVCQBX-UHFFFAOYSA-N
-rxn:4:219639:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)C5)nn4c3)cc2)CC1,LIPKJRPHMYEESH-UHFFFAOYSA-N
-rxn:4:219651:224810,COc1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,VRVHNXCSXCJCMB-UHFFFAOYSA-N
-rxn:4:219704:225979,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cc3n2)CC1,OGTDOKRTJMRLHT-UHFFFAOYSA-N
-rxn:4:219717:223998,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)c(F)c5)cc4)CC3C2)n1,HMEMIBPYOZJLAJ-UHFFFAOYSA-N
-rxn:4:219745:224767,COc1ccc(-c2cccc(C(=O)N3CCOCC3)c2F)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,AEKJIJBBTUFUTO-UHFFFAOYSA-N
-rxn:4:219759:226333,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cccc(C(=O)N5CCC5)c4)cc2)OC3)CC1,ZLXLWJHEVKUFCE-UHFFFAOYSA-N
-rxn:4:219778:222829,CCn1cc(-c2nc(-c3ccc(-c4ccc(S(=O)(=O)NC)cc4C(F)(F)F)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,HTYYBDWVLUYEPM-UHFFFAOYSA-N
-rxn:4:219909:223649,Cn1cnc(N2CCC(Oc3ccncc3-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cc1=O,DLMUKVXJRUOBDO-UHFFFAOYSA-N
-rxn:4:219937:222396,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(C(=O)NC5CCC(O)CC5)cc4)n3)C2)c1,BXSHFWYYZDLLPR-UHFFFAOYSA-N
-rxn:4:219959:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)CC1,MYIGOKATNUSGSR-UHFFFAOYSA-N
-rxn:4:219959:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1OCC,UUYJESFNTZYCPH-UHFFFAOYSA-N
-rxn:4:219988:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)cc(C(F)(F)F)c2)CC1,QVWBTFWHIROYPC-UHFFFAOYSA-N
-rxn:4:220136:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cnc1Cl,SJVXLSPWOCWHBJ-UHFFFAOYSA-N
-rxn:4:220158:223970,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1S(=O)(=O)N1CCC(C)CC1,AZURFMUTZOPNEE-UHFFFAOYSA-N
-rxn:4:220162:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(SC)nc1N1CC(N2CC3CCCC3C2)C1,BXCKPYCFCNPMOJ-UHFFFAOYSA-N
-rxn:4:220162:223135,CSc1ncc(-c2cccnc2C2CCCNC2)c(N2CC(N3CC4CCCC4C3)C2)n1,SFYXTACIBDNQRI-UHFFFAOYSA-N
-rxn:4:220162:226371,CSc1ncc(-c2cnc(N3CCCC3)cc2C)c(N2CC(N3CC4CCCC4C3)C2)n1,LPWGGYJKGLANMK-UHFFFAOYSA-N
-rxn:4:220204:225106,CCN(CC)C(=O)c1ccc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1Cl,NAFSBAHVXPKPGD-UHFFFAOYSA-N
-rxn:4:220251:223527,C[C@@H]1Cc2c(ccc3[nH]ncc23)C(c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)N1CC(F)(F)F,QYVPDKUCVGTEGV-UBIBJYAGSA-N
-rxn:4:220413:222607,CN(C)C1CCN(c2ncc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,RUNFLIVPUFLTEG-UHFFFAOYSA-N
-rxn:4:220430:224656,COc1ccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)c(F)c1OC1CCCC1,ZZAFKBWCYPTXFO-UHFFFAOYSA-N
-rxn:4:220521:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cnc(N3CC4C(=O)N(c5ccccc5)C(=O)C4C3)nc2)c1,MMUKYPQDRZMGDC-UHFFFAOYSA-N
-rxn:4:220533:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,INBUPRNXIFRSPV-UHFFFAOYSA-N
-rxn:4:220536:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)ccc2C)CC1,VZSLEBIMPJHZBZ-UHFFFAOYSA-N
-rxn:4:221100:222540,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)CC1,ANEIYDJBPLFVOX-UHFFFAOYSA-N
-rxn:4:221100:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nc5OC)CC4)nc3)cc2F)CC1,MJSYONAMZJTBNZ-UHFFFAOYSA-N
-rxn:4:221107:223123,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(NC(=O)C(C)C)cc4)cn3)C2)c(=O)c1C,BAAAQBPDHXHDEE-UHFFFAOYSA-N
-rxn:4:221109:223569,Cc1ccc(C2CC(c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cc3)=NN2C(=O)CSc2nncn2C)cc1,JVPCPTXFQZVJBX-UHFFFAOYSA-N
-rxn:4:221117:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4nc(N(CCN5CCOCC5)C(=O)c5cnccn5)sc4c3)ccc(F)c2s1,HIVWYOYXHMHWNE-UHFFFAOYSA-N
-rxn:4:221142:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)c(F)c2)cc1,OOLORFAJFVXIQK-UHFFFAOYSA-N
-rxn:4:221152:223812,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,FPJBQJCKDYVRLI-UHFFFAOYSA-N
-rxn:4:221163:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)c2)CC1,TWLWPPHQBFVDHZ-UHFFFAOYSA-N
-rxn:4:221164:224064,COc1ccnc(N2CCCC(COc3ncc(-c4cc(C5CC5)cc(N5CCCCC5C)c4)cn3)C2)n1,WKQCXGDJZDWYEC-UHFFFAOYSA-N
-rxn:4:221169:222885,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)NC5CCOC5)cc4)cn3)C2)cn1,HJZURYXDZQESNH-UHFFFAOYSA-N
-rxn:4:221169:223696,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)C2)cn1,KRKWWAKXSPWXOY-UHFFFAOYSA-N
-rxn:4:221175:228180,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(COC)c4)cn3)C2)C(=O)C1=O,JJIYZXNDFMBISA-UHFFFAOYSA-N
-rxn:4:221175:228183,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(COC)c4)cn3)C2)C(=O)C1=O,PCRKHAANKXROMF-UHFFFAOYSA-N
-rxn:4:221175:228262,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(Cl)c4OC)cn3)C2)C(=O)C1=O,XEWRTPHMCQITOY-UHFFFAOYSA-N
-rxn:4:221175:228410,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4Cl)cn3)C2)C(=O)C1=O,GAOOHVJSTRJXGJ-UHFFFAOYSA-N
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-rxn:4:221179:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)c1,XWDYSHXRMCOMSM-UHFFFAOYSA-N
-rxn:4:221182:225079,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc5cc(OC(F)F)ccc5c4)cn3)CC2)C1=O,KRWFELGIHXPDCW-UHFFFAOYSA-N
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-rxn:4:221938:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nn5)C4)nc3)c2)CC1,UEOHJWUKCIYOJL-UHFFFAOYSA-N
-rxn:4:221938:224584,CC1CCN(C(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nn5)C4)nc3)c2)CC1,OUHLBWFPDVCINH-UHFFFAOYSA-N
-rxn:4:221965:225943,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCOCC6)s5)cc4)CC3)nn2)CC1,TWXDPWIMJWDIMB-UHFFFAOYSA-N
-rxn:4:221996:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)ccc2OC)CC1,MXFPZNHVSNQSLN-UHFFFAOYSA-N
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-rxn:4:222062:228064,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(c4)C(=O)CC5)cc3)CC2)n1,MESFVZSYSCLDIX-UHFFFAOYSA-N
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-rxn:4:222108:222976,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)c(C)c6)cc5)no4)C3C2=O)cc1F,YJSKBLHLTCEGBD-UHFFFAOYSA-N
-rxn:4:222108:224285,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1F,GQTJJHMDYTYJPL-UHFFFAOYSA-N
-rxn:4:222108:224755,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCOCC7)ccc6F)cc5)no4)C3C2=O)cc1F,FLVFNOBQPKXXSG-UHFFFAOYSA-N
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-rxn:4:222108:225679,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7)cc6F)cc5)no4)C3C2=O)cc1F,QHBNVXKLBPETFU-UHFFFAOYSA-N
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-rxn:4:222156:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2[N+](=O)[O-])CC1,HBELUUAYFDUJMB-UHFFFAOYSA-N
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-rxn:4:222301:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(OCC5CCCN(c6ccc7nnc(C)n7n6)C5)nc4)c3C(=O)C1C2(C)C,SXDQAIOQFQTNJT-UHFFFAOYSA-N
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-rxn:4:222334:225210,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCC(C)CC5)nc4C)cn3)CC2)n1,CSNRJVDWABBOOV-UHFFFAOYSA-N
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-rxn:4:222382:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCN(c4ccc5nncn5n4)CC3)nc2)CC1,UQLXNBMFZXYLHC-UHFFFAOYSA-N
-rxn:4:222385:223712,COc1ccc(-c2cnc(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,ALQNDRXVEFEVTQ-UHFFFAOYSA-N
-rxn:4:222389:206777,COC1CCN(c2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)n2)CC1,VNBVXHGVPVJTOK-UHFFFAOYSA-N
-rxn:4:222630:175981,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1,MKURMDAFSPVBLC-SQHAQQRYSA-N
-rxn:4:222630:187303,COC1CCN(CCc2cc(F)ccc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)CC1,UGUDXHPUJJBVPJ-UHFFFAOYSA-N
-rxn:4:222680:194669,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc2c(c1)CN(C(=O)C(C)(C)C)[C@@H]2C,DZRUYIRXGWNNMW-MRXNPFEDSA-N
-rxn:4:222723:214653,COC1CCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2[N+](=O)[O-])CC1,AQXUOYPQQDPMHO-UHFFFAOYSA-N
-rxn:4:222743:187192,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(C(C)N3CCC(O)CC3)cc2)cc1,ZVCRMJCLHYSXAP-DIYISXKJSA-N
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-rxn:4:223093:185407,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cncc(NS(=O)(=O)C(C)C)c1,PNBMLKMJLNEZHI-UHFFFAOYSA-N
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-rxn:5:177190:222994:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2cccc(N3CCC(O)CC3)c2)c1,YLIZSXOEJLBSQF-UHFFFAOYSA-N
-rxn:5:177190:223139:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCNCC3)nc2)c1,NPPUSMFKUQSKHB-UHFFFAOYSA-N
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-rxn:5:177190:225461:225652,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,VKGCSIGDCFHZAJ-UHFFFAOYSA-N
-rxn:5:177190:225461:225654,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)nc2)c(-c2ccc(N3CCCCC3)cc2C)c1,SCCRBMRSJGDCRO-UHFFFAOYSA-N
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-rxn:5:177190:225652:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cncc(N3CCCC(C)C3)c2)c1,YUZMPTFSADQFCU-UHFFFAOYSA-N
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-rxn:5:177190:225805:225987,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,KOSKNVGDOGODMJ-UHFFFAOYSA-N
-rxn:5:177191:223008:225440,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(C5CCNCC5)ccc4F)c3)cc2)CCCC1,ARNXBUJBVNJBDW-UHFFFAOYSA-N
-rxn:5:177373:227803:226583,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(CN3CCOCC3)s2)ccc1OCC1OCCO1,PPHXOYIAGQBCIV-UHFFFAOYSA-N
-rxn:5:177732:225784:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc(C3CCNCC3)nc2F)c1,XJTCEAFRUFBTSM-UHFFFAOYSA-N
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-rxn:5:177736:225439:226649,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccnc2N2CCOCC2)c1)N1CCCC1,CGYHFTFIEIFYFJ-UHFFFAOYSA-N
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-rxn:5:177739:223054:223131,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccc(N3CCNCC3)cc2)s1)N1CCC(O)C1,HFUIOYDAOHJLCN-UHFFFAOYSA-N
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-rxn:5:181908:226686:223063,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(F)nc(C3CCNCC3)c2)cc1C1OCCO1,UQNTZVJKNRUCSN-UHFFFAOYSA-N
-rxn:5:182012:222994:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1C1CCCOC1,KFMYXIVWCFPDJG-UHFFFAOYSA-N
-rxn:5:182012:226686:225438,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCCC3)cc2)c(C2CCCOC2)c1,VGXUNSLXCXZAEX-UHFFFAOYSA-N
-rxn:5:183189:222986:222996,Cc1cc(-c2cc(-c3ccc(F)cc3C3CCCNC3)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)n1,SOXLVCPKWSMNAC-UHFFFAOYSA-N
-rxn:5:183216:226601:226045,CC(C)Oc1ccc(F)c(F)c1-c1cc2c(c(-c3ccc(C(F)(F)C(F)(F)F)nc3)c1)OC(C)(C)CC2=O,PRGDIEPJGSISMW-UHFFFAOYSA-N
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-rxn:5:189212:225654:227120,CC1CCCN(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C4CCC4)cc3F)cn2)C1,FNYATXOLWUTUDT-UHFFFAOYSA-N
-rxn:5:189212:228622:225657,CCc1cc(F)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(N2CCOCC2)c(C)c1,DITNJLXIZJHVBG-UHFFFAOYSA-N
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-rxn:5:189449:226131:227613,COC1CN(C(=O)c2cc(-c3cnn(C4CCOCC4)c3)ccc2-c2ccccc2CN2CCCC2)C1,KFJSGQVUXFBCTE-UHFFFAOYSA-N
-rxn:5:189449:227339:225507,COC(=O)c1cc(C)ccc1-c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)cc1C(=O)N1CC(OC)C1,JPRLFJXTAKFFFX-UHFFFAOYSA-N
-rxn:5:189665:226973:225472,CC1CCCCN1c1cccc(-c2cc(-c3ccc4c(c3)C(C)(C)CO4)cnc2OCC2CCOCC2)c1,MYVOPFVBNUVZSR-UHFFFAOYSA-N
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-rxn:5:189671:227291:226036,COc1c(F)cc(C(F)(F)F)cc1-c1cccc(-c2ccc(CN(C)C)c(F)c2)c1/C=N/S(=O)C(C)(C)C,VLWPGCSVIPLXDK-PUHLOBNQSA-N
-rxn:5:189673:227028:223008,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3(C#N)CC3)c2)cc1-c1cc(C2CCNCC2)ccc1F,RGXZVRDSUYFIBL-ZSNJKBEMSA-N
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-rxn:5:190128:227049:227613,CCOc1c(C)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cnn(C3CCOCC3)c2)cc1C,ZJHAKUWQDCVOGB-UHFFFAOYSA-N
-rxn:5:190128:227935:226068,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2c(C)cc(C(C)(C)C)cc2C)ccc1OC,BFFUAVWUYJMDLF-UHFFFAOYSA-N
-rxn:5:190132:222409:227918,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(SC4CC4)cc3)c2)cc1S(N)(=O)=O,YJNCCGKKPWSNLA-UHFFFAOYSA-N
-rxn:5:190195:222417:225978,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,BPLOYDULAFEUKJ-UHFFFAOYSA-N
-rxn:5:190195:225976:226794,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cnc(N3CCSCC3)nc2)c1)C1CCOCC1,FYZJKEBNVOUJBR-UHFFFAOYSA-N
-rxn:5:190196:223239:226042,CN(Cc1ccc(-c2cncc(C3CCCN3)c2)cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCOCC1,KSMMFIXIPPKSJR-UHFFFAOYSA-N
-rxn:5:190196:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1CN(C)C1CCOCC1,JQMNMNWSSDYXBA-UHFFFAOYSA-N
-rxn:5:190197:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccnc(N3CCOCC3)c2F)c1,NJUKSGQJQLYDLG-UHFFFAOYSA-N
-rxn:5:190199:225598:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cccc(CN2CCSCC2)c1)C1CCOCC1,SIXGJGREDRIMME-UHFFFAOYSA-N
-rxn:5:190199:225797:226845,COc1ncc(C(F)(F)F)cc1-c1ccc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(CN(C)C2CCOCC2)c1,YURPBIPBDGMQAH-UHFFFAOYSA-N
-rxn:5:190200:225683:223240,Cc1nc(C2CCCOC2)ccc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(C3CCNC3)nc2)c1,AZXYPQJCFKMHLQ-UHFFFAOYSA-N
-rxn:5:190201:225803:222417,CC1CN(CCc2cc(-c3ccnc(OC4CCOCC4)c3)ccc2-c2cnc(=O)[nH]c2C(C)C)CCO1,AKTZPUVRSFMWLI-UHFFFAOYSA-N
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-rxn:5:190337:225611:227026,COc1cc(N2CCCC2)ccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc(C#N)c(C3CC3)c2)c1OC,XORBYWXGJOERAL-UHFFFAOYSA-N
-rxn:5:190484:223138:227507,O=C(c1cccc(-c2ccnc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,DHCVXEBHXYFSRP-UHFFFAOYSA-N
-rxn:5:190484:223138:228895,O=C(c1cccc(-c2ccnc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])cc2)S(=O)(=O)CC1,IORHCYYAGXHGJA-UHFFFAOYSA-N
-rxn:5:190484:226661:226665,CN1CCN(c2csc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnc(C6CCCOC6)nc5)S(=O)(=O)CC4)c3)c2)CC1,QUCXHUUOUKBBDL-UHFFFAOYSA-N
-rxn:5:190740:226662:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)s3)cc2c1-c1cnc(N2CCOCC2)cc1F,FWVZZINOLPSHAL-UHFFFAOYSA-N
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-rxn:5:190742:225607:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1-c1cnc(C2CCNCC2)cc1F,ZQCYRBGXPMVPCE-UHFFFAOYSA-N
-rxn:5:190742:225849:225982,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cnc(N2CCOCC2)cc1F,LXBVZIGSZNJORF-UHFFFAOYSA-N
-rxn:5:190742:225982:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccnc(N2CCOCC2)c1F,BFSWBZJSQNWNAP-UHFFFAOYSA-N
-rxn:5:190744:223064:225834,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,ASPRDFKDOMULLR-UHFFFAOYSA-N
-rxn:5:190744:225976:225980,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,LHOPZPBYTJEVOF-UHFFFAOYSA-N
-rxn:5:190744:225980:225834,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,SLQQTEWDSPNDGH-UHFFFAOYSA-N
-rxn:5:190744:225982:225980,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,OORBQSKGFZOIES-UHFFFAOYSA-N
-rxn:5:190798:223018:226062,CC(C)c1cc(-c2ccc3c(c2)c(-c2ccc4c(c2)NC(=O)C(C)(C)O4)cn3C(=O)OC(C)(C)C)cc(C(C)C)c1,KEIPLRZXRAUNEU-UHFFFAOYSA-N
-rxn:5:190833:226031:225649,Cc1cc(-n2ccnc2C)ccc1-c1ccc(-c2ccc(C(F)(F)F)cc2C(F)F)c2c1CN(C(=O)OC(C)(C)C)C2=O,YVWRBODJZYVRHY-UHFFFAOYSA-N
-rxn:5:190833:227052:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,VSSCXIVRYJGMHC-UHFFFAOYSA-N
-rxn:5:190993:226048:226146,O=C1COc2ccc(-c3c(F)ccc(F)c3OC(F)(F)F)cc2CN1CCc1ccc(-c2ccc(SC3CCCC3)cc2)cc1,ZSNIXANXXFWLEF-UHFFFAOYSA-N
-rxn:5:190998:226052:226158,COC(=O)c1cc(-c2ccccc2N2CCCCC2)ccc1N1Cc2cc(-c3c(F)ccc(OC(F)(F)F)c3F)ccc2OCC1=O,CALKSOZHQLXWNT-UHFFFAOYSA-N
-rxn:5:190998:227312:227065,CCC(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4cccc(C(=O)C(C)C)c4)cc2C(=O)OC)C(=O)CO3)c(F)n1,OUZWJWKRCGYLHT-UHFFFAOYSA-N
-rxn:5:191026:225945:222980,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(CN4CCNCC4)cc3)c2)c2cc(-c3ccc(C#CC(F)(F)F)c(F)c3)ccc2S1(=O)=O,WVQKTVKNTQXJBI-UHFFFAOYSA-N
-rxn:5:192568:226031:225870,O=C(c1ccc(-c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(C(F)(F)F)cc1C(F)F)N1CCC1,VGAVTTJYIFNIKW-UHFFFAOYSA-N
-rxn:5:193226:223065:223006,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,BMFOZZQODDSGHK-UHFFFAOYSA-N
-rxn:5:193229:225784:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccc(CN3CCOCC3)nc2)cc(F)n1,HGGPALIPIRNRDY-UHFFFAOYSA-N
-rxn:5:193230:227379:225982,O=C(c1ccc(-c2cccnc2N2CCCC2)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,YYWZTLUNZBHAOE-UHFFFAOYSA-N
-rxn:5:193230:227387:225980,O=C(c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,ATVMVPIIQONYEA-UHFFFAOYSA-N
-rxn:5:193335:225666:226875,Fc1cc(-c2cccc(-c3cc(F)c(OC(F)F)cc3F)c2CN2CCOCC2)cc(N2CCCCC2)c1,HQCNKNFGQTWFCA-UHFFFAOYSA-N
-rxn:5:193382:223139:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCOCC1,UYMWNUWCSPVSIY-UHFFFAOYSA-N
-rxn:5:193382:223285:223142,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCCNC3)nc2)c1,YKWRWLIEJFCHRI-UHFFFAOYSA-N
-rxn:5:193382:223295:225831,Cc1cc(-c2cc(-c3cncc(NS(C)(=O)=O)c3)ccc2S(=O)(=O)N2CCOCC2)cnc1N1CCOCC1,SYIFOTKDVVLSRD-UHFFFAOYSA-N
-rxn:5:193382:225805:223147,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CNCCO4)cc3)c2)s1)N1CCOCC1,APTOMYQLGMFLNF-UHFFFAOYSA-N
-rxn:5:193382:225805:226661,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)s1)N1CCOCC1,BVVDMXKMFMQLCG-UHFFFAOYSA-N
-rxn:5:193382:226583:225805,CC(c1ccc(-c2cc(-c3ccc(CN4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,IOFXJECSLVDBSB-UHFFFAOYSA-N
-rxn:5:193382:226898:226685,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnc(C3CCOCC3)nc2)c1,WKUIGXDWRYAAAA-UHFFFAOYSA-N
-rxn:5:193382:228408:225809,COc1cc(F)c(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)ccc3OC3CCOC3)c2)cc1F,UUTIPIASSYYTIT-UHFFFAOYSA-N
-rxn:5:193382:229081:225805,CC(c1ccc(-c2cc(-c3ccc(N(C)C)s3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,RQHXJWLXAWCKSM-UHFFFAOYSA-N
-rxn:5:193466:222987:227710,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(OS(C)(=O)=O)cc2)ccc1C(=O)N1CCC[C@H]1C,OPKQAFLHZNMOKM-HXUWFJFHSA-N
-rxn:5:193506:223132:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCNCC4)c3)cc2-c2c(C3CC3)ccnc2F)CC1,QHZAFMFMMFGLTN-UHFFFAOYSA-N
-rxn:5:193506:223142:227507,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)nc3)cc2-c2cccc(C=C[N+](=O)[O-])c2)CC1,CXNAZFOKFADSDG-UHFFFAOYSA-N
-rxn:5:193506:223146:222959,Cc1cc(-c2cc(-c3cccc(C4CNCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1CCNCC1,SNQFDHWEIKHBPN-UHFFFAOYSA-N
-rxn:5:193506:223288:223140,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCCNC4)c3)c2)c1,IVPGSIOBLQCICU-UHFFFAOYSA-N
-rxn:5:193506:225805:223146,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNCCO4)c3)c2)s1)N1CCOCC1,ZWKPGICIPRWPQL-UHFFFAOYSA-N
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-rxn:5:196917:225985:226414,CC1(C)COC(c2cc(-c3ccc(C4=NCCCO4)cc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,SJQHYXRKOUNKKX-UHFFFAOYSA-N
-rxn:5:196917:226664:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cc(N3CCCC3)ncc2F)=N1,IFVUVKKWFLFUHG-UHFFFAOYSA-N
-rxn:5:196917:226679:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cnc(N3CCCC3)cc2F)=N1,VJWPAURFCPOBBH-UHFFFAOYSA-N
-rxn:5:196923:225834:225986,O=C1CCCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,PMGOTXOWPDFOTC-UHFFFAOYSA-N
-rxn:5:196969:222986:225674,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2cnc(C3CCCCC3)cc2F)cc(C2CCCNC2)n1,XBXQVOWOGUUFDO-UHFFFAOYSA-N
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-rxn:5:196979:225462:225985,CC1CCN(c2cccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(N4CCCCC4)c3)c2)CC1,IEXTZEKEKDEULK-UHFFFAOYSA-N
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-rxn:5:225871:177737:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(C(=O)OC(C)(C)C)c1,PBTDYGVPJZTEOY-UHFFFAOYSA-N
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-rxn:5:226771:178295:228596,CCc1ccc(-c2ccc(-c3cc(F)c(F)cc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)n1,MPZQGUFUYIXSFH-UHFFFAOYSA-N
-rxn:5:226772:178295:228696,COCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DWHGLHNTYRFQFA-UHFFFAOYSA-N
-rxn:5:226772:178295:228763,CCc1c(F)cncc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KXLTVNGRBGTBBD-UHFFFAOYSA-N
-rxn:5:226910:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,VUACZWREGQWOBP-UHFFFAOYSA-N
-rxn:5:226911:178295:227286,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,DTYVQWIAPQJULF-UHFFFAOYSA-N
-rxn:5:226912:178295:227816,CCCc1ccc(-c2ccc(-c3cc(C)cc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,NPPAHHVZPGNQQV-UHFFFAOYSA-N
-rxn:5:226913:178295:228396,CCc1cc(-c2ccc(-c3c(F)cc(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,FIVSLCIAYMZRGP-UHFFFAOYSA-N
-rxn:5:226916:178295:227935,CCc1cc(-c2ccc(-c3cccc(C4=CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,SUIGTVJMWMZRAP-UHFFFAOYSA-N
-rxn:5:226919:178295:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cccc(C3CCCC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,PCZZNSMHBGAQHO-UHFFFAOYSA-N
-rxn:5:226926:178295:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,PNGQOERZWYVEHL-UHFFFAOYSA-N
-rxn:5:227038:178295:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,CVHMWHQDKAABOO-UHFFFAOYSA-N
-rxn:5:227039:178119:225871,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OC(C)(C)C)cc2)c1-c1cccc(N2C(=O)C=CC2=O)c1,ODIIISUHYINKBC-UHFFFAOYSA-N
-rxn:5:227040:178295:227909,CCC(C)c1cc(-c2ccc(-c3cc(C)ccc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,GOWKNKVDEVMBFR-UHFFFAOYSA-N
-rxn:5:227048:178295:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,FTRJSXVWMQBJST-UHFFFAOYSA-N
-rxn:5:227052:178295:227813,CCc1cccc(CC)c1-c1ccc(-c2ccc(SC(C)(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,HZYOAWPLMRQLHH-UHFFFAOYSA-N
-rxn:5:227069:178295:227409,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ncc3F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,LRIAHELOIJPLKZ-UHFFFAOYSA-N
-rxn:5:227069:178295:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,OKFBMUSIVRTFQN-UHFFFAOYSA-N
-rxn:5:227069:190833:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(OC)cc2C(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,WRASZCGBXITYGH-UHFFFAOYSA-N
-rxn:5:227075:178295:227811,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,YCQCHQWUOZEULL-UHFFFAOYSA-N
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-rxn:5:227076:178295:228562,CCC(C)c1csc(-c2ccc(-c3cc(C(C)CC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AEDSOAOUSONOKV-UHFFFAOYSA-N
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-rxn:5:227077:178295:227542,CCC(C)c1ccc(-c2ccc(-c3ccc(F)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,DVKVLXRLFMVENK-UHFFFAOYSA-N
-rxn:5:227077:178295:228275,CCC(C)c1ccc(-c2ccc(-c3cc(C)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,QCBDSBGTDSIFDD-UHFFFAOYSA-N
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-rxn:5:227286:178295:227933,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,MORMPPDSPSBEGS-UHFFFAOYSA-N
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-rxn:5:227409:197876:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,TXFXKUCFRCIHBN-UHFFFAOYSA-N
-rxn:5:227525:178295:227048,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(=O)C(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,XPHOGTQBMJMUKM-UHFFFAOYSA-N
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-rxn:4:175810:222619,O=C(CCC1OCCCO1)c1ccccc1-c1ccc(CNC(=O)C2CCCCC2)cc1,OZBCRXIFGMAQLK-UHFFFAOYSA-N
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-rxn:4:178384:225834,Fc1cnc(N2CCCCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YLAQCKZPJIHNMH-UHFFFAOYSA-N
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-rxn:4:183908:222716,CCCCN(C(=O)c1cccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)c1)C1CCS(=O)(=O)C1,LTGJWADTYASJQS-UHFFFAOYSA-N
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-rxn:4:184309:222902,COC(=O)CNC(=O)c1cccc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2[N+](=O)[O-])c1,CKLKVWIUCQUCDR-UHFFFAOYSA-N
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-rxn:4:184431:223687,CCOC(=O)c1c(C#N)ccc(C(F)F)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,WNWZPBNGYPRPHP-UHFFFAOYSA-N
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-rxn:4:184480:224791,CCOC(=O)c1ccc(C(F)(F)F)c(-c2ccc(C(=O)OC(C)C)cc2[N+](=O)[O-])c1C#N,JXXRNBVYTHAQCU-UHFFFAOYSA-N
-rxn:4:184739:225899,Cc1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCC2)n(C(=O)OC(C)(C)C)n1,ADQZHPLUNLKJIN-UHFFFAOYSA-N
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-rxn:4:184883:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1cc(/C=N/S(=O)C(C)(C)C)ccc1OC(F)(F)F,ZRXAOESPQWHENE-IPBVOBEMSA-N
-rxn:4:184943:223885,CCN(CC)C(=O)C1(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,KTOHJVJVDSLAOI-UHFFFAOYSA-N
-rxn:4:185004:226844,O=C(COc1ccc(C(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCCC1,NDHMBQPXEGVLFN-UHFFFAOYSA-N
-rxn:4:185012:223695,O=C(c1cccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1,GXZDNXLWPCTNGH-UHFFFAOYSA-N
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-rxn:4:185044:225171,CC(C)(C)OC(=O)N1CC(Oc2cc(Cl)cc(-c3cc(F)cc(CN4CCOCC4)c3)c2)C1,BDWQHZIWGSMVCQ-UHFFFAOYSA-N
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-rxn:4:185097:222538,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)CC1,XRZOIRQVJWEWQT-UHFFFAOYSA-N
-rxn:4:185110:224366,COC1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)cc2OC(F)(F)F)CC1,NPZKKONQKIHMDC-UHFFFAOYSA-N
-rxn:4:185111:225087,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCCN(C)C)c(F)c2)CC1,NARBJVSTWVWOII-UHFFFAOYSA-N
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-rxn:4:185147:222986,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(C2CCCNC2)n1,XSBZMYUFKJCAIZ-UHFFFAOYSA-N
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-rxn:4:185201:224420,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,GBUDAVDPDIZPEA-UHFFFAOYSA-N
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-rxn:4:190451:223093,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cncc(NS(=O)(=O)C(C)C)c1,NYEJHYKMOCORTO-UHFFFAOYSA-N
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-rxn:4:190785:224318,CN1CCN(C(=O)c2ccc(-c3ccccc3CC(=O)N3CC4CC3CS4)cc2F)CC1,KRSKQTFSHBQZCH-UHFFFAOYSA-N
-rxn:4:190794:223559,CC(=O)CCc1c(C)nc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2c1Cl,UKVURIOSDKWIPV-UHFFFAOYSA-N
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-rxn:4:190961:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CCC3)c1,DYGLNWIXDJZLNF-UHFFFAOYSA-N
-rxn:4:190986:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)cc1,IMFKZNKIVWQWPV-UHFFFAOYSA-N
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-rxn:4:191062:227446,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2OCCO2)cc1,FPDHFLVQRYADMM-UHFFFAOYSA-N
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-rxn:4:191088:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C,VIVAHZRRKNEAJB-UHFFFAOYSA-N
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-rxn:4:191105:228092,CCN(CC)c1csc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,PWOMBYAUXNSOPN-UHFFFAOYSA-N
-rxn:4:191109:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(OC)cc3C(=O)N3CCC4(CC(=O)c5ccccc5O4)C3)cc2F)CC1,LCWUPUNOFMQLEQ-UHFFFAOYSA-N
-rxn:4:191116:226501,CCOC(=O)c1cc(-c2ccc3c(c2)C(=O)CC32CCN(C(=O)OC(C)(C)C)CC2)cnc1C,KERMODKDQDZOEL-UHFFFAOYSA-N
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-rxn:4:191123:226998,CC(C)COc1ccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,QXMCHNDHZQNWKJ-UHFFFAOYSA-N
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-rxn:4:201071:226818,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2cnc(-c3nccs3)cc2F)ccc1OC,GQNWIKWHWUROQH-UHFFFAOYSA-N
-rxn:4:201072:226025,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(OC5CCOC5)nc4Cl)ccc3OC)N2C1=O,MJFKEFCJKHFCLD-UHFFFAOYSA-N
-rxn:4:201098:226513,CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(C#N)cc(C(=O)OC)c3)ccc21,UGAWRVXEBAGONL-UHFFFAOYSA-N
-rxn:4:201102:225972,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2cnc(Cl)c(-n3cc(C)cn3)c2)N2C(=O)CCSC2=N1,GISNROUWHXWDTB-UHFFFAOYSA-N
-rxn:4:201102:226797,CC1=C(C(=O)OCC(C)C)C(c2ccccc2-c2cnc(-n3ccnc3)c(Cl)c2)N2C(=O)CCSC2=N1,ZLGKPOBWLQONMR-UHFFFAOYSA-N
-rxn:4:201124:223123,CC(C)C(=O)Nc1ccc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,YZXGFWCZFZRAKQ-UHFFFAOYSA-N
-rxn:4:201132:225499,COc1ccc2cc(-c3ccc(C4CCCCC4)cc3F)ccc2c1CC(=O)N(C)C1CCN(C)CC1,UWUHJNWQGDMTJS-UHFFFAOYSA-N
-rxn:4:201150:224350,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cnc(C5CCCCC5)c(C(F)(F)F)c4)ccc3C2)CC1,IHCNDQMMBCOBRO-UHFFFAOYSA-N
-rxn:4:201192:223183,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC(C)C)cc4)=NN2C(c2ccc(C(C)C)cc2)O3)c(C)c1,ROTXMYZUPOMEFK-UHFFFAOYSA-N
-rxn:4:201655:222718,CCOC(=O)c1nc(N2CCCC2)ccc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,HBCNSLBYUKDNCS-UHFFFAOYSA-N
-rxn:4:201733:224458,COC(=O)c1cc(-c2ccc(C(C)N3CCC(C)CC3)cc2)nn1CC1CCCCC1,HHZAONBUPXIHIL-UHFFFAOYSA-N
-rxn:4:201815:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)c(C(=O)N2CCN(C)CC2)c1,KKWVCFWZUFKEKR-UHFFFAOYSA-N
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-rxn:4:201946:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)nc2)cc1,QDPXKDCMNBSRDJ-UHFFFAOYSA-N
-rxn:4:201948:223577,CCN1CCN(c2cc(C(=O)OC)cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,AJNVQNZVMCOKMX-UHFFFAOYSA-N
-rxn:4:201950:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1F,YTSAWPNQQLBHIC-UHFFFAOYSA-N
-rxn:4:201987:224591,CCN1CCN(Cc2cccc(-c3ccc(Cl)c(CN4CCC(C)CC4)c3)c2OC)CC1,XVYNBJABTJHWQO-UHFFFAOYSA-N
-rxn:4:202007:224378,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,GRJOSGZOHACVHB-UHFFFAOYSA-N
-rxn:4:202014:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccccc1CN1CCN(S(=O)(=O)C2CC2)CC1,SBVDTUXHBSIYEX-UHFFFAOYSA-N
-rxn:4:202020:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnccc2C2CN(C(=O)OC(C)(C)C)CCO2)c1,KSIJJSPUNQEGTA-UHFFFAOYSA-N
-rxn:4:202099:224075,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)c2)CC1,OQAYYLSZTGFPQX-UHFFFAOYSA-N
-rxn:4:202104:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,MJUMOZKBJOWQQX-UHFFFAOYSA-N
-rxn:4:202115:224868,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(OCC4CCCCC4)c3)cn2)CC1,SAXXXMGNNNZWKE-UHFFFAOYSA-N
-rxn:4:202117:222891,COc1cc(-c2cnccc2OC2CCN(CC3CCCCO3)C2)cc(C2CCNCC2)n1,ILWFARJNQLJXSF-UHFFFAOYSA-N
-rxn:4:202129:224718,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(OCCN4CCOCC4)nc3)c(F)n2)CC1,GPDDJGYFIFMTIE-UHFFFAOYSA-N
-rxn:4:202130:223766,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc4cc(C#N)ccc4n3C(=O)OC(C)(C)C)c(F)n2)C1,PPYAHYHPZQOJDN-UHFFFAOYSA-N
-rxn:4:202136:225898,CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2-c2cnn(CCN3CCOCC3)c2)CC1,ITPCZDWGGVUUMO-UHFFFAOYSA-N
-rxn:4:202166:222404,O=C1NC(=O)C(c2ccc(-c3cccc(CN4CCCN(S(=O)(=O)C5CC5)CC4)c3)cc2)N1,YTBAHYWSNHNRBP-UHFFFAOYSA-N
-rxn:4:202167:224728,COc1cc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)c(C(=O)OC(C)(C)C)cn1,HJUCKISXUYVVAN-UHFFFAOYSA-N
-rxn:4:202195:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cccnc1OC1CCN(C(=O)C2CC=CCC2)CC1,NXPUCWFCXROAAI-UHFFFAOYSA-N
-rxn:4:202237:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1F,WFSYLCZJTCIJHT-UHFFFAOYSA-N
-rxn:4:202246:223650,CN1CCN(Cc2ccc(C(=O)c3ccc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)CC1,ZPAXNYFNOJVFFL-UHFFFAOYSA-N
-rxn:4:202269:223175,CCS(=O)(=O)Nc1cccc(-c2ccccc2CN2CCCC(C(=O)N3CCSCC3)C2)c1,HSOHVQJKVZFPGQ-UHFFFAOYSA-N
-rxn:4:202269:224497,CCN1CCN(Cc2ccc(-c3ccccc3CN3CCCC(C(=O)N4CCSCC4)C3)cc2)CC1,ZGKJCGHAKFGBOF-UHFFFAOYSA-N
-rxn:4:202269:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccccc2CN2CCCC(C(=O)N3CCSCC3)C2)c1,JQEUYPRLWIXAIN-UHFFFAOYSA-N
-rxn:4:202273:223175,CCS(=O)(=O)Nc1cccc(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)c1,HPKUBKANJHFEHK-UHFFFAOYSA-N
-rxn:4:202275:225518,CCCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCC(OC)C3)CC2)c1,LOURFFPXJUTLFR-UHFFFAOYSA-N
-rxn:4:202277:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(CN2CCC(C(F)(F)F)CC2)c(N2CCCC2)c1,IJFSLDLDNJXREV-UHFFFAOYSA-N
-rxn:4:202284:222994,COc1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1CN1CCC(N2CCCC2)CC1,CTAXSEFSTBXQRH-UHFFFAOYSA-N
-rxn:4:202285:223064,COC1CCN(Cc2ccc(-c3ccc(C4CCNCC4)nc3F)cc2N2CCCC2)CC1,HVIKEBJTWDQGMV-UHFFFAOYSA-N
-rxn:4:202285:223139,COC1CCN(Cc2ccc(-c3ccc(C4CCNCC4)nc3)cc2N2CCCC2)CC1,IXUISVIABXJMHG-UHFFFAOYSA-N
-rxn:4:202348:227482,CCCOc1cc(-c2ccccc2C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)c(Cl)cn1,JQKCBQCDQBHFEQ-UHFFFAOYSA-N
-rxn:4:202518:223039,CC(C)NC(=O)c1cc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)ccc1F,SWRWQJVQUYNASN-IBGZPJMESA-N
-rxn:4:202518:225003,COc1cc(N2CCCCC2)ccc1-c1nc2c(s1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C,IKKNSDPOIXKSNP-QFIPXVFZSA-N
-rxn:4:202540:222584,CCOC(=O)c1cnc2c(-c3ccc(OCCCN4CCNCC4)c(F)c3)cccc2c1N1CCOCC1,JGLNUJICEVQEQD-UHFFFAOYSA-N
-rxn:4:202648:224774,O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Oc2ncccc2-c2ccc(N3CCCC3)c(C(F)(F)F)c2)C1,MSWMZMOHZRKKAS-UHFFFAOYSA-N
-rxn:4:202655:224969,Cc1cc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)ccc1C(=O)OC(C)(C)C,WUCYXBPTVHAQJQ-UHFFFAOYSA-N
-rxn:4:202660:225354,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(OCC)c(F)c(C(F)(F)F)c3)ccc21,AUAINVJKJBCECQ-UHFFFAOYSA-N
-rxn:4:202675:223873,CC1CCN(C(=O)CCc2ccccc2-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)CC1,RIYRABCYIFFELY-UHFFFAOYSA-N
-rxn:4:202684:222902,COC(=O)CNC(=O)c1cccc(-c2ccc3c(c2)CCN(C2CN(C(=O)OC(C)(C)C)C2)C3)c1,BKZWPAUUPCXSGZ-UHFFFAOYSA-N
-rxn:4:202684:227310,CCC(C)c1ncc(-c2ccc3c(c2)CCN(C2CN(C(=O)OC(C)(C)C)C2)C3)cc1Cl,GEYLOXZXUGZKSL-UHFFFAOYSA-N
-rxn:4:202697:227657,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(N5CCOCC5)s4)cc3)SC3CS(=O)(=O)CC32)cc1,QHAKPMZBUUSNLK-UHFFFAOYSA-N
-rxn:4:202707:224080,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(OCCCN5CCCCC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,VDRSRSRDQDRAGX-UHFFFAOYSA-N
-rxn:4:202714:222630,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc23)C1,PRDDQYVOLAQBDR-UHFFFAOYSA-N
-rxn:4:202715:222819,COc1ccccc1N1CCN(C(=O)c2cc3cc(-c4ccc(NC(=O)N5CCOCC5)nc4)ccc3oc2=O)CC1,HBSCQXVQRVLLPA-UHFFFAOYSA-N
-rxn:4:202729:225298,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(S(=O)(=O)n4cccc4)cc3)ccc21,LMMPDWRSIVUABT-UHFFFAOYSA-N
-rxn:4:202752:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2ccc(N3C(=O)C4ON(c5ccccc5)C(C=Cc5ccccc5)C4C3=O)cc2)cc1,WQDVINWDVLBNNS-UHFFFAOYSA-N
-rxn:4:202778:222468,CCn1c2c(c3cc(-c4ccc5cc(NC(=O)OC(C)(C)C)ccc5c4)ccc31)CN(C(=O)OC(C)(C)C)CC2,IHLYGHPACBOHTA-UHFFFAOYSA-N
-rxn:4:202796:226492,COCCOc1ccc(Cl)c(-c2cccc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2COC(C)=O)c1,LKWXMNHBFXEREW-UHFFFAOYSA-N
-rxn:4:202797:223048,COc1cccc2c1OC1(C)CC2N(C(=O)c2ccc(-c3cccc(C(=O)NC4CC4)c3F)o2)C(=S)N1c1ccc(F)cc1,HYERANSOIOUMJT-UHFFFAOYSA-N
-rxn:4:202807:223951,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc1,QXHHVOQPGAZIDX-UHFFFAOYSA-N
-rxn:4:203143:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(=O)OC(C)(C)C)[nH]n3)cc21,IMJYOVNFLMFSQQ-UHFFFAOYSA-N
-rxn:4:203607:222439,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc1S(=O)(=O)n1cnc(C)c1,ZCCXPRXQPSKJNB-UHFFFAOYSA-N
-rxn:4:203609:223481,COc1cc(S(=O)(=O)n2ccc(C)n2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,KRXBVXHDAKNWSM-UHFFFAOYSA-N
-rxn:4:203638:222514,COc1ccc(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1S(=O)(=O)NC1CCCCC1,SNXFKCLPNYYORH-UHFFFAOYSA-N
-rxn:4:203643:222542,CC(=O)C1CCN(C(=O)c2cncc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c2)C1,IDAGSLRIHBIOPM-UHFFFAOYSA-N
-rxn:4:203651:223607,O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(-c2cccc(C(F)(F)F)n2)nc(C(F)(F)F)c1,VBZOXUSREJAXKZ-UHFFFAOYSA-N
-rxn:4:203708:224810,O=C(c1ccccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,LIPBIQCBPGAIFK-UHFFFAOYSA-N
-rxn:4:203712:225212,CN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c2)CC1,BRBXUTHGZGQQJE-UHFFFAOYSA-N
-rxn:4:203712:225825,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)cn2)CC1,PRVDTJUERFBRBF-UHFFFAOYSA-N
-rxn:4:203775:224704,COC1CCN(S(=O)(=O)c2cncc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)c2)CC1,HFCHDGHMIRVAJU-UHFFFAOYSA-N
-rxn:4:203786:224810,O=C(c1cccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1)N1CC(N2C(=O)CCC2=O)C1,LBTQTXVKXJYWGU-UHFFFAOYSA-N
-rxn:4:203827:224782,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc2)CC1,UHBMRGKUSKBYHS-UHFFFAOYSA-N
-rxn:4:203827:224810,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cc2)CC1,JYONSGKKZSNXBR-UHFFFAOYSA-N
-rxn:4:203841:224810,O=C(c1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,SMWHZEXUSPXJID-UHFFFAOYSA-N
-rxn:4:203868:224252,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)c2)CC1,CAMSCDRAMVEOAY-UHFFFAOYSA-N
-rxn:4:203880:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(CC4CCCN(S(C)(=O)=O)C4)n3)cn2)CC1,SAMNUTQVRVLJQU-UHFFFAOYSA-N
-rxn:4:203881:224782,CN1CCN(c2cc(-c3cccc(CC4CCN(S(C)(=O)=O)CC4)n3)cc(F)c2F)CC1,GYSGCDZKMXZNTN-UHFFFAOYSA-N
-rxn:4:203881:224810,CS(=O)(=O)N1CCC(Cc2cccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)n2)CC1,HSTYLUUHEZUNTO-UHFFFAOYSA-N
-rxn:4:203882:224666,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cc2)CC1,ACCGJMKZFFHTRS-UHFFFAOYSA-N
-rxn:4:203882:224667,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2)CC1,IFPXAAILZRFQBC-UHFFFAOYSA-N
-rxn:4:203882:224704,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc2)CC1,FWNIJJZZDZVNIY-UHFFFAOYSA-N
-rxn:4:203882:224782,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc2)CC1,RSAJBOFNYLMKTG-UHFFFAOYSA-N
-rxn:4:203882:224810,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cc2)CC1,KWCCHVXADORWFE-UHFFFAOYSA-N
-rxn:4:203884:224810,CN1CCN(S(=O)(=O)Cc2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cc2)CC1,UBDXHKJNVAEIEH-UHFFFAOYSA-N
-rxn:4:203885:224666,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)c2)CC1,ZSYCFEHKSJHNGU-UHFFFAOYSA-N
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-rxn:4:203885:224704,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)c2)CC1,AUSKLCZTLJMWIL-UHFFFAOYSA-N
-rxn:4:203885:224766,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)c2)CC1,HEMGSNSIBODAQI-UHFFFAOYSA-N
-rxn:4:203885:224782,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CC1,KJIMAWKTHQQDCU-UHFFFAOYSA-N
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-rxn:4:203887:224459,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cc2)CC1,KEHUWRIABQVDJV-UHFFFAOYSA-N
-rxn:4:203887:224704,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc2)CC1,PNKTWNDFTFVWOU-UHFFFAOYSA-N
-rxn:4:203887:224705,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(C)CC4)c(F)c3F)cc2)CC1,WMDJTLPTPAYGAO-UHFFFAOYSA-N
-rxn:4:203887:224782,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc2)CC1,JMDMUTURABRWGF-UHFFFAOYSA-N
-rxn:4:203887:224810,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cc2)CC1,URCVOJYSODBOCQ-UHFFFAOYSA-N
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-rxn:4:212495:222815,Cc1[nH]c2ccc(-c3ccc(S(=O)(=O)NC(=O)C(C)C)cc3)c3c2c1CCN1C(=O)OC(C)(C)C31C,IZNZOFYJOWRLOQ-UHFFFAOYSA-N
-rxn:4:212508:222678,CC(C)(C)OC(=O)NCc1ccc(-c2nc(C#N)cn2COCC[Si](C)(C)C)cc1F,DIUIFSNEEZMDRT-UHFFFAOYSA-N
-rxn:4:212547:223670,CCOCCN1CCC(Oc2ncc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,LENUPUFLSPODTM-UHFFFAOYSA-N
-rxn:4:212555:223997,Cc1cc(-c2cnc(OC3CCN(C(=O)COc4ccc(F)cc4)C3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,IXNUXSMVQLJQQO-UHFFFAOYSA-N
-rxn:4:212587:224167,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(CN(C)C(=O)OC(C)(C)C)cc4)cn3)C2)cc1,SLHGBHWBEGRZAA-UHFFFAOYSA-N
-rxn:4:212588:222604,COc1ccc(-c2ccccc2CCC(=O)N2CCC(Oc3nncs3)CC2)cc1S(=O)(=O)NC1CCCC1,BNCAESBMZIMILE-UHFFFAOYSA-N
-rxn:4:212591:225805,COC(=O)c1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(C(C)N5CCOCC5)s4)cn3)C2)cc1,ZTTRKDIVHSOWQN-UHFFFAOYSA-N
-rxn:4:212626:225867,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(N5CCCCC5)c4)cc3)CC2)c1,IURFSECTRBBGQM-UHFFFAOYSA-N
-rxn:4:212639:228292,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccnc4c3OCCO4)c2)CC1,VXKGSTGBXPZYBN-UHFFFAOYSA-N
-rxn:4:212649:227275,CCCOc1c(F)cccc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)CC)C2)nc1,BERHJWVNNJAGBL-UHFFFAOYSA-N
-rxn:4:212655:222567,COC(=O)c1cc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,QBSVXSNOGYZOLX-UHFFFAOYSA-N
-rxn:4:212782:222678,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2ccc(CNC(=O)OC(C)(C)C)c(F)c2)sc2cc(S(N)(=O)=O)ccc21,CHRHTAZIHFURJT-UHFFFAOYSA-N
-rxn:4:212799:224713,CCCCOc1ccc(-c2ccc3nc(N(CCN(C)C)C(=O)C4CCCCC4)sc3c2)c(C(F)(F)F)c1,JBWTWAZLXNWYBR-UHFFFAOYSA-N
-rxn:4:212814:226315,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc(Cn3ccnc3)cc2)C1(C)C,FZZLAZNKAXBTRN-UHFFFAOYSA-N
-rxn:4:212830:227464,CCCCSc1ncc(-c2ccc3[nH]c(C(=O)N(C)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3c2)cn1,NBQYFBYKCSVHGO-JOCHJYFZSA-N
-rxn:4:212879:222540,COCCN1CC(Cn2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)C1,PQLDCMJAKZMZQN-UHFFFAOYSA-N
-rxn:4:212887:223712,COC(=O)CN1CCC(Cn2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)C1,CXIDHLFDTMPQEQ-UHFFFAOYSA-N
-rxn:4:212918:222583,CC(C)(C)OC(=O)N1CC(Cn2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,KYEXHOPYWWGPKN-UHFFFAOYSA-N
-rxn:4:212938:222723,CCC(=O)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,ACLBQGZJZPYPCF-UHFFFAOYSA-N
-rxn:4:212980:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCC(COc2ccc(F)cn2)C1,MVVBLTQJSDRKRW-UHFFFAOYSA-N
-rxn:4:212986:222882,CCOC(=O)C1CCN(Cc2nn(C)cc2-c2cc(F)ccc2C(=O)NC(C)(C)C)CC1,ZURSXOYXRUOBTK-UHFFFAOYSA-N
-rxn:4:213045:225047,Cc1cc(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)cnc1N1CCC(C)CC1,RQYATYWTJGCMFU-UHFFFAOYSA-N
-rxn:4:213072:225123,CC(C)(C)OC(=O)N1CCCC(Cn2cc(-c3ccncc3OCC3CCCCO3)cn2)C1,YHYOPNWJMDQKKH-UHFFFAOYSA-N
-rxn:4:213080:227210,CCCCOc1ccc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,XOGSVIKPZJAHTI-UHFFFAOYSA-N
-rxn:4:213123:223814,O=C(Cc1ccccc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,FPQADCMLZQMVEQ-UHFFFAOYSA-N
-rxn:4:213135:224759,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,NHCASPOLHYPGDY-UHFFFAOYSA-N
-rxn:4:213142:223184,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCNCC4)nc3)c2[N+](=O)[O-])CC1,JDVPNBMCXDEJKG-UHFFFAOYSA-N
-rxn:4:213150:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1,DGNVPSCBVZIFMC-UHFFFAOYSA-N
-rxn:4:213180:224881,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cccc(CN5CCCCCC5)c4)cn3)CC2)c(C)o1,ZEFLAVDPYNJSOC-UHFFFAOYSA-N
-rxn:4:213203:222930,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)cc3)CC2)nn1,QINVGBJIWQTUEO-UHFFFAOYSA-N
-rxn:4:213233:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Cn5ccnc5-c5ccccc5)CC4)o3)cn2)CC1,LJVYIZUSEYCFLC-UHFFFAOYSA-N
-rxn:4:213236:222723,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1C,DCDXYZCCVOQUMN-UHFFFAOYSA-N
-rxn:4:213243:223844,O=C(CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)CC1)N1CCOCC1,RJSKNDGIMVCJGF-UHFFFAOYSA-N
-rxn:4:213245:223809,CN(C(=O)Cn1nc(-c2ccc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc2)ccc1=O)C1CCCCC1,OJBZQVXRHMGGSZ-UHFFFAOYSA-N
-rxn:4:213259:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)cc1,BBZZZJOLXZTZPO-UHFFFAOYSA-N
-rxn:4:213260:224634,COc1ccc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)cc1CN1CCOCC1,KRFCANFISRTWBJ-UHFFFAOYSA-N
-rxn:4:213265:223084,O=C(c1ccc(-c2cnc(N3CCC(O)CC3)nc2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,RJIDFFVPKYQDSU-UHFFFAOYSA-N
-rxn:4:213269:224501,COc1ccc(-c2ccc(OCC3CCCCN3C)cc2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,MSMPSLGDVRSJKA-UHFFFAOYSA-N
-rxn:4:213271:224747,COc1ccc(-c2ncc(-c3ccc(OC)cc3C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)c(Cl)n2)cc1,UXVAXIAYFCVCND-UHFFFAOYSA-N
-rxn:4:213274:224337,O=C(Cn1nc(-c2ccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cc2)ccc1=O)N1CCOC(c2ccccc2)C1,RUSPQXUOMQWFIG-UHFFFAOYSA-N
-rxn:4:213281:226368,Cn1ncc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1-c1ccccc1,YGCOSDPHQZLBRY-UHFFFAOYSA-N
-rxn:4:213351:222614,O=C(Cc1c[nH]c2ccccc12)N1CCC(Oc2ccncc2-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)C1,GBNPWAWYKGIJQJ-UHFFFAOYSA-N
-rxn:4:213359:225318,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3c(F)cc(N4CCOCC4)cc3F)cc1)SCC2)N1CCCC1,QBVURYBWCYHNGK-UHFFFAOYSA-N
-rxn:4:213369:223528,Cn1cc(CC(=O)N2CCC(Oc3ccc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)c2ccccc21,DGAPROYEJZCQRU-UHFFFAOYSA-N
-rxn:4:213382:222790,CCN1CCN(c2nc3ccc(OC(=O)c4ccccc4-c4cc(Cl)cc(NC(=O)OC(C)(C)C)c4)cc3s2)CC1,VQZYLJIMSUCOGD-UHFFFAOYSA-N
-rxn:4:213388:226307,COCc1cc(C)cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)c1OC,UYRQAXROTULPLA-UHFFFAOYSA-N
-rxn:4:213416:224842,CC1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc2)SCC3)CC1,LVARBPACBGEFTI-UHFFFAOYSA-N
-rxn:4:213480:224755,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C(=O)N5CCOCC5)ccc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OIZRANKFMPWSNW-SIGULORKSA-N
-rxn:4:213480:225826,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cncc(N5CCN(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,SJWAXFLDGPARKF-WKGIXAQJSA-N
-rxn:4:213480:226419,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCCC5)cc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CZVDKPGTKCMWCM-CPPXEKLYSA-N
-rxn:4:213604:222582,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,WHHMGGJWWYYWGT-UHFFFAOYSA-N
-rxn:4:213626:222819,CC(C)(C)OC(=O)N1CC(n2cc(-c3ccc(NC(=O)N4CCOCC4)nc3)cn2)C1,BJQPAKYNLLUELU-UHFFFAOYSA-N
-rxn:4:213653:223155,CCNC(=O)c1cc(Cl)cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1,MPBPIFLZZWFDOZ-UHFFFAOYSA-N
-rxn:4:213653:225890,C[Si](C)(C)CCOCn1cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)cn1,PQEPBLUHFGRIQN-UHFFFAOYSA-N
-rxn:4:213714:222913,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c[nH]1,JJHWHHDYJOHYNR-IBGZPJMESA-N
-rxn:4:213718:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3cnn(CC4CN(CC5COCCO5)C4)c3)cn2)CC1,JNFAOLGGKXLXPL-UHFFFAOYSA-N
-rxn:4:213757:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CC2CCN(S(=O)(=O)N(C)C)C2)n1,RNXXVVUSSTUTCD-UHFFFAOYSA-N
-rxn:4:213765:224718,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)n2)C1,IGVARAWIGCIWBF-UHFFFAOYSA-N
-rxn:4:213794:223712,COc1ccc(-c2cnn(CC3CN(CC4CCCCO4)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,KPUJNMIRBFQXDD-UHFFFAOYSA-N
-rxn:4:213798:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)c1,UQWAJCYZFSVLIY-UHFFFAOYSA-N
-rxn:4:213798:225723,CN(C)CCOc1ccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cc1Cl,OTBTUUQGUYEVDM-UHFFFAOYSA-N
-rxn:4:213801:224291,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCOCC4)c(F)c3)n2)C1,ASWHAVSZXAFPHR-UHFFFAOYSA-N
-rxn:4:213802:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,ULCOXQWGDPARJA-UHFFFAOYSA-N
-rxn:4:213805:224325,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,LKORGJLOKMBTCI-UHFFFAOYSA-N
-rxn:4:213863:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1S(=O)(=O)NC1CCCC1,BIVLMQIXKZYKSH-UHFFFAOYSA-N
-rxn:4:213889:224285,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(OCCN4CCOCC4)cc3F)ncn2)C1,GSNZIIWPHKOUIY-UHFFFAOYSA-N
-rxn:4:213896:224770,Cc1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(S(=O)(=O)N2CCCC2)c1,LYAHUWUKUNATEZ-UHFFFAOYSA-N
-rxn:4:213898:225518,CCCCCOc1ncc(C)cc1-c1cnc(OC2CCN(C(=O)C(C)(C)C)CC2)nc1,UUBXZQZRPWWUAP-UHFFFAOYSA-N
-rxn:4:213927:222546,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)nc(C)n1,YJUNSMXGVQNENX-UHFFFAOYSA-N
-rxn:4:213944:223182,CCNS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)cc1,UKQJZSYGOGAFGJ-UHFFFAOYSA-N
-rxn:4:213992:226215,CO/N=C1\CCc2cc(-c3cnc(OC4CCN(CC5CCOCC5)CC4)nc3)ccc21,ZGJNBZSFFUYSOO-ZZIIXHQDSA-N
-rxn:4:213997:223035,CC1CN(c2ccncc2-c2cccnc2NC(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C,RCFBSSOHSDHQKE-UHFFFAOYSA-N
-rxn:4:213997:223072,CCCNS(=O)(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1,KLVRUNNYAAGBHS-UHFFFAOYSA-N
-rxn:4:214011:224759,Cc1nn(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,NRFMLIRKYGRIDC-UHFFFAOYSA-N
-rxn:4:214026:222497,O=C(Nc1ccc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1Cl)OCc1ccccc1,KMCCCYWYTQPQTM-UHFFFAOYSA-N
-rxn:4:214028:229167,CN(C)c1nc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cs1,BYIBYHCUVSKTNF-UHFFFAOYSA-N
-rxn:4:214029:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cc1Cl,UKACZPUOTYPKQC-UHFFFAOYSA-N
-rxn:4:214033:224577,Cc1cn(-c2cc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc(C3CC3)c2)cn1,LZEMXDUBLUEOKE-VSGBNLITSA-N
-rxn:4:214033:226181,CC(C)[C@H]1COC(c2cc(-c3ccc(C4=CCCCC4)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,UHORPRZUVCLOLW-CLJLJLNGSA-N
-rxn:4:214033:228326,COc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc(OC)n1,LMGVENIGBUMVJO-WOJBJXKFSA-N
-rxn:4:214035:223893,CCN1CCN(CCOc2cccc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c2)CC1,ZTNOBPFRDLSQPI-UHFFFAOYSA-N
-rxn:4:214051:225827,CC(C)c1sc(-c2ccnc(N3CCN(C)CC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,MZYAKIPPBAWBNC-UHFFFAOYSA-N
-rxn:4:214052:224762,Cc1c(C(=O)N2CCC(N(C)c3ccccn3)CC2)cccc1-c1ccc(C(=O)N2CCOCC2)c(F)c1,YJLRGSUFNHKRRO-UHFFFAOYSA-N
-rxn:4:214064:222432,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc2N2CCOCC2)CC1,OKHKIZGMHRWCQL-UHFFFAOYSA-N
-rxn:4:214086:227565,COc1cc(Cl)cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)c1OC,OBNHECFEZDLWOC-UHFFFAOYSA-N
-rxn:4:214144:222881,CC(C)(C)NC(=O)c1ccc(-c2c(C#N)cnc3c2CCN(C(=O)OC(C)(C)C)C3)c(F)c1,CXVLSKKIQGWQJV-UHFFFAOYSA-N
-rxn:4:214153:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)cc2)CC1,XQZQJZXUPKZYOY-TXTKFYIRSA-N
-rxn:4:214259:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)c3)c(F)cn2)CC1,IYIXCSUUHFPEHY-UHFFFAOYSA-N
-rxn:4:214260:223940,Cn1cc(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5c(c4)OCCN5C(=O)OC(C)(C)C)o3)CC2)c2ccccc21,CSHCHIUNZJFOMK-UHFFFAOYSA-N
-rxn:4:214322:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)cc2)CC1,MLRFZEQIJWFZPC-UHFFFAOYSA-N
-rxn:4:214369:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C3C(C#N)=C(N=CN(C)C)Oc4c3ccc3ccccc43)cc2)c1,GGMNYCIZSWVXEK-UHFFFAOYSA-N
-rxn:4:214384:227684,O=C(N1CCCC(Oc2ncc(-c3cnn(CC4OCCO4)c3)cn2)C1)C12CC3CC(CC(C3)C1)C2,GZNBCAPMMDYRIS-UHFFFAOYSA-N
-rxn:4:214384:228556,COCc1ccc(-c2cnc(OC3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)nc2)cc1,MPVGWBBRQANYEJ-UHFFFAOYSA-N
-rxn:4:214569:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3c(C4CC4)cnn3S(=O)(=O)N(C)C)cc21,JATSUAJCWUHREV-UHFFFAOYSA-N
-rxn:4:214585:222514,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)NC1CCCCC1,WSTRJBJLMQVNPR-UHFFFAOYSA-N
-rxn:4:214586:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(C(C)=O)C4)cn3)cc2)CC1,HOCPPZGAPSPVOE-UHFFFAOYSA-N
-rxn:4:214627:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,YDCPGJCGOGQESC-UHFFFAOYSA-N
-rxn:4:214627:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)c2)CC1,IPSSEFUTFYTOBN-UHFFFAOYSA-N
-rxn:4:214627:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,QDIIETNHJPVXFC-UHFFFAOYSA-N
-rxn:4:214627:224773,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCCC1,RSHNPMQIERXHBX-UHFFFAOYSA-N
-rxn:4:214630:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cn1,CXUAJODEUJAARN-UHFFFAOYSA-N
-rxn:4:214695:223531,CCN1CCN(Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)nc2)CC1,LPQPJTNUQJFKGL-UHFFFAOYSA-N
-rxn:4:214708:224566,COC(=O)C1(c2ccc(-c3cnc(OC4CCN(C5COC5)CC4)nc3)cc2)CCCC1,AGJSFOXNQUQEPE-UHFFFAOYSA-N
-rxn:4:214709:224662,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3CN3CCN(C)CC3)cn2)CC1,ONXWLQRVJFEJAO-UHFFFAOYSA-N
-rxn:4:214711:223971,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(N4CCC(C)CC4)cc(C(F)(F)F)c3)cn2)CC1,WRJRPACEXQSJPI-UHFFFAOYSA-N
-rxn:4:214715:222434,CCN1CCN(c2cc(-c3ccc(C(=O)Nc4cccc(OC(F)(F)F)c4)cc3)cc(F)c2[N+](=O)[O-])CC1,BGNSAGOQJHLECE-UHFFFAOYSA-N
-rxn:4:214746:224672,CCN1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)c(C#N)c3)c(Cl)c2)CC1,FBVRLWPMOAWIJZ-UHFFFAOYSA-N
-rxn:4:214773:224683,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c2)CC1,YWMLNYYIVXVUEY-UHFFFAOYSA-N
-rxn:4:214803:225518,CCCCCOc1ncc(C)cc1-c1ccc(N2CCOC(C(=O)N3CCCC3)C2)nc1,JXTUBHKEADUSBH-UHFFFAOYSA-N
-rxn:4:214819:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,QHFLSATWEXNLSX-UHFFFAOYSA-N
-rxn:4:214819:226222,CCCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cn1,ZDVRCVAMYNSBHL-UHFFFAOYSA-N
-rxn:4:214819:226554,CCCOc1cc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1F,AGHGEUPSALOBSU-UHFFFAOYSA-N
-rxn:4:214835:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2F)CC1,HVVUXDMGFCBDRM-UHFFFAOYSA-N
-rxn:4:214838:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccn2)CC1,CSIAMBRULSCRGR-UHFFFAOYSA-N
-rxn:4:214852:223958,CCN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(N5CCCC5)CC4)c3)cc2F)CC1,JWPNLLVTKZJWJJ-UHFFFAOYSA-N
-rxn:4:214859:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,RUBWRZSSVJVQCG-UHFFFAOYSA-N
-rxn:4:214865:222901,CCCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,CQKAHRTYDZEPBZ-UHFFFAOYSA-N
-rxn:4:214867:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C)c3)c(F)c2)CC1,MYHVXSIPOHPOSG-BIBMFLLGSA-N
-rxn:4:214868:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)c2Cl)CC1,NKBYRCUUPXXROV-UHFFFAOYSA-N
-rxn:4:214868:225671,O=C(C1CN(c2ncccc2-c2cc(C3CCCCC3)ncc2F)CCO1)N1CCCCC1,OBJNTHVKLXYSNF-UHFFFAOYSA-N
-rxn:4:214873:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)ccc21,BXPVJYNJGYABPQ-UHFFFAOYSA-N
-rxn:4:214880:228140,Cc1cc(-c2ccc(C(C)N(C)C)s2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,XOMWFJNGAQKSPQ-UHFFFAOYSA-N
-rxn:4:214885:224150,Cc1c(F)cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)cc1OCc1ccccc1,RFPHEPFBGWPLAU-UHFFFAOYSA-N
-rxn:4:215054:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)C2=O,FSVVNGYGCRBNHS-UHFFFAOYSA-N
-rxn:4:215099:224960,COc1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1OC1CCCC1,PCTRAOFUBKXBGT-MRXNPFEDSA-N
-rxn:4:215153:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,VEMPZSPIQHWPMY-UHFFFAOYSA-N
-rxn:4:215184:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,JFUKIHIQFBRWEB-UHFFFAOYSA-N
-rxn:4:215188:223993,Cc1cc(-c2ccc(N3C(=O)N(c4ccc([N+](=O)[O-])cc4)C4CS(=O)(=O)CC43)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,SJUUQXIGNQEAPE-UHFFFAOYSA-N
-rxn:4:215189:225313,CN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)C(C)(C)C)CC5)sc4c3)c(F)n2)CC1,HBGBWXSLMSSFGU-UHFFFAOYSA-N
-rxn:4:215198:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)CC1,ZLZKUCKFODFCQK-UHFFFAOYSA-N
-rxn:4:215201:226307,COCc1cc(C)cc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)c1OC,QBXJIGFXARLPLM-UHFFFAOYSA-N
-rxn:4:215201:226427,CC1CCN(c2csc(-c3cnc4n3CCC43CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,HSHWJCYSWPJHMO-UHFFFAOYSA-N
-rxn:4:215300:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,VTOGCZQCDBDBEZ-UHFFFAOYSA-N
-rxn:4:215673:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(F)(F)C4)c(C#N)c3)cc2)CC1,MCZAWNQXUISHIB-UHFFFAOYSA-N
-rxn:4:215708:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(C(=O)N4CCOCC4)nc3)c2)CC1,YVGYERAKDZOHBF-UHFFFAOYSA-N
-rxn:4:215802:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,UASROFUSZWQSAA-UHFFFAOYSA-N
-rxn:4:215802:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)c2)CC1,LUJYBFHAORTGEA-UHFFFAOYSA-N
-rxn:4:215900:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)nc2)CC1,ZDYBQZIVWFOMSP-UHFFFAOYSA-N
-rxn:4:215906:224017,CN1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)c2)CC1,CDSPVPNQJOJREW-UHFFFAOYSA-N
-rxn:4:215912:224663,CN1CCN(Cc2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2F)CC1,JEUACILUGQQHNJ-UHFFFAOYSA-N
-rxn:4:215912:224666,CN1CCN(Cc2cc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)ccc2F)CC1,NIBZCTGPBKASQL-UHFFFAOYSA-N
-rxn:4:215912:224782,CN1CCN(c2cc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc(F)c2F)CC1,ZIEOTPCXCPPKGW-UHFFFAOYSA-N
-rxn:4:215913:224325,CN1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2C(F)(F)F)CC1,XVEQMOAPRKNONY-UHFFFAOYSA-N
-rxn:4:215940:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2)CC1,GQSWBLZSUMVBGU-UHFFFAOYSA-N
-rxn:4:215941:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2)CC1,HLNZINAJDATRSJ-UHFFFAOYSA-N
-rxn:4:215941:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccncc3N3CCC(N(C)C)CC3)c2)CC1,XWVWLMQINBYAER-UHFFFAOYSA-N
-rxn:4:215946:223712,COc1ccc(-c2cc(N3CCCCC3)nc(C(C)C)n2)cc1C12CC3CC(CC(C3)C1)C2,CQYGQVHYJBYUGO-UHFFFAOYSA-N
-rxn:4:215955:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2)CC1,GNTSHFUWFGWYMY-UHFFFAOYSA-N
-rxn:4:215957:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccnc3N3CCC(N(C)C)CC3)c2)CC1,PHJAHQILJBYBPR-UHFFFAOYSA-N
-rxn:4:215961:224754,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccccc2S(=O)(=O)N2CCCCC2)CC1,NQJYUEPWCZXZIZ-UHFFFAOYSA-N
-rxn:4:215975:223562,Cc1ccc(C2CN(c3ncc(-c4ccc(CC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)CCO2)cc1,ADQKIOMJBVMPJT-UHFFFAOYSA-N
-rxn:4:216891:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3n[nH]nc3[Si](C)(C)C)cc2[N+](=O)[O-])CC1,FEQXLYPIPKRTQV-UHFFFAOYSA-N
-rxn:4:217197:222466,CC1CCCCN1c1ncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(Cl)n1,IXIMNDXVKFQSEH-UHFFFAOYSA-N
-rxn:4:217210:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cnc1N1CCN(C)CC1,GILHNTNLNPNCNW-UHFFFAOYSA-N
-rxn:4:217889:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,JHEHQLGGHZRIPW-UHFFFAOYSA-N
-rxn:4:217889:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,GORUSALNOPHMQK-UHFFFAOYSA-N
-rxn:4:217902:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1c2c(c([N+](=O)[O-])c3cn[nH]c13)C(C)(C)CC2(C)C,KJRKLHKVMKJXJH-UHFFFAOYSA-N
-rxn:4:218583:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2cnc(OCC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)c1,AZNADYYBVKDJIR-UHFFFAOYSA-N
-rxn:4:218588:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cn2)CC1,OLCAVCZZPSJVSV-UHFFFAOYSA-N
-rxn:4:218590:222538,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)C1,LSNNUNIUEHSJNA-UHFFFAOYSA-N
-rxn:4:218604:223939,COc1ccc(C(=O)N2CCC(COc3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cn3)CC2)cn1,QIHSJPNXJSBHME-UHFFFAOYSA-N
-rxn:4:218606:222950,CONS(=O)(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)c4cccnc4OC)C3)nc2)ccc1OC,BJYQVMXEDOZBCF-UHFFFAOYSA-N
-rxn:4:218620:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(Cc5csc(C6CC6)n5)C4)nc3)c2)CC1,GIUONYPBFIZMDH-UHFFFAOYSA-N
-rxn:4:218631:226794,O=C1C(N2CCC(COc3ncc(-c4cnc(N5CCSCC5)nc4)cn3)CC2)CCN1CC(F)(F)F,NTJZNPSRAMGHNG-UHFFFAOYSA-N
-rxn:4:218631:226878,O=C1C(N2CCC(COc3ncc(-c4cnn(-c5cc(Cl)ncn5)c4)cn3)CC2)CCN1CC(F)(F)F,ZWGNKIIKZIQUAL-UHFFFAOYSA-N
-rxn:4:218656:223065,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCNCC4)cc3F)cn2)C1,PKLDBJFJVDAIGS-UHFFFAOYSA-N
-rxn:4:218656:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)c(=O)cc5OC)C4)nc3)c(Cl)c2)CC1,IWKUEASCJBXMAB-UHFFFAOYSA-N
-rxn:4:218666:225875,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(N5CCOCC5)cc4Cl)c3)C2)nn1,FPXXBWIDHJBHBW-UHFFFAOYSA-N
-rxn:4:218671:223520,Cc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)c2C)c(C)o1,HGNXFSKKCJMOMO-UHFFFAOYSA-N
-rxn:4:218677:223581,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc6cccc(C(=O)OC)c6n5C(=O)OC(C)(C)C)o4)CC3)nn2)cc1,USZNKCBCHXWKHA-UHFFFAOYSA-N
-rxn:4:218711:226637,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cccnc3-c3cncnc3)CC2)CC1,RGTSZHXRCWSNNC-UHFFFAOYSA-N
-rxn:4:218713:228640,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc(Cl)c(C)c4C)c3C)CC2)cc1C,HCPDSQLPWSEHNS-UHFFFAOYSA-N
-rxn:4:218768:227480,CCCOc1nccc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)c1Cl,SIPYEMJTTRMHDQ-UHFFFAOYSA-N
-rxn:4:218786:227620,Cc1nccn1-c1csc(-c2cccc3c4c([nH]c23)CCN(C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)C4)c1,JSYFOQRHVNMGFN-UHFFFAOYSA-N
-rxn:4:218786:227730,Cc1nn(-c2nccs2)cc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,NODUICBSSATBOL-UHFFFAOYSA-N
-rxn:4:218867:223294,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3csc(N4CCNCC4)n3)c2)no1,LIGSMWXGCJVNAF-UHFFFAOYSA-N
-rxn:4:218867:224153,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)c2)no1,KYVTWFITKOIEPJ-UHFFFAOYSA-N
-rxn:4:218868:225191,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCCCC4)cc3F)cc2)no1,YMGKBKKGCALOCE-UHFFFAOYSA-N
-rxn:4:218868:225867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(N4CCCCC4)c3)cc2)no1,IGCILEOYTAOBEG-UHFFFAOYSA-N
-rxn:4:218884:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)c2)CC1,KMKATRNQIIJXJZ-UHFFFAOYSA-N
-rxn:4:218888:223812,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,NAMRPKQDGMXYGZ-UHFFFAOYSA-N
-rxn:4:218895:224672,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(N5CCN(CC)CC5)cc4Cl)c3)C2)c1F,QCTSDMGCJSYGSA-UHFFFAOYSA-N
-rxn:4:218897:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)ccc2F)CC1,GLLUWFAGVJXIJF-UHFFFAOYSA-N
-rxn:4:218920:223790,COc1cnc(OC2CCN(C(=O)c3cncc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)c3)CC2)nc1,XTOFGBSGMMJQTI-UHFFFAOYSA-N
-rxn:4:218922:224659,CN1CCN(C(=O)c2cccc(-c3cnc(OCC4CCN(c5ncccc5C(F)(F)F)CC4)nc3)c2)CC1,NBHUKPFSFONHMX-UHFFFAOYSA-N
-rxn:4:218944:222819,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)cc2[N+](=O)[O-])CC1,GYHMNOZHGVMWEZ-UHFFFAOYSA-N
-rxn:4:218992:226199,CC(C)n1ncc2cc(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)ccc21,RODAHRUOJUBYOY-UHFFFAOYSA-N
-rxn:4:218997:224759,Cc1noc(C)c1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,IQSSIKXIYJUSMC-UHFFFAOYSA-N
-rxn:4:218998:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,CDGAWMSKUVENLY-UHFFFAOYSA-N
-rxn:4:218998:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1C,NAHGWMCDEZHXND-UHFFFAOYSA-N
-rxn:4:218999:227262,CCCOc1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)c(C#N)c2)c1Cl,RUEQHBUXWDAIHT-KRWDZBQOSA-N
-rxn:4:219013:224863,CC1CN(c2c(-c3ccccc3CN(C(C)C)C(C)C)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,DRVVVRPQDCOOFK-UHFFFAOYSA-N
-rxn:4:219016:225305,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3cnc(C4CCC4)c(C(F)(F)F)c3)c2)C1,HQBCYQXNXHLURL-UHFFFAOYSA-N
-rxn:4:219128:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2Cl)CC1,DNYGAFQTDUSUQA-UHFFFAOYSA-N
-rxn:4:219155:225089,CCCCCOc1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)c(F)c1F,PLHUSSCFGKOLJI-UHFFFAOYSA-N
-rxn:4:219203:222684,COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2-n2c(C)cnc21,VCTJDLUUXFKZLJ-NDEPHWFRSA-N
-rxn:4:219256:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)ccc3CC(=O)N3CC(n4nccn4)C3)c(F)c2)CC1,ZXDASOWSYPYWOY-HZCBDIJESA-N
-rxn:4:219354:222695,Cc1ccc(-c2cnc(N3CCC(N(C)S(=O)(=O)C4CC4)C3)nc2)cc1S(=O)(=O)NC1CCCC1,PRYGENHDSBCHCS-UHFFFAOYSA-N
-rxn:4:219375:224481,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(OCCCN4CCCC4)cc3)nn2)C1,KMHYBHSJEYECQW-UHFFFAOYSA-N
-rxn:4:219386:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnccc3OC3CCN(C(=O)c4ccc(=O)n(C)n4)C3)cc2)C1,MRKWJBFVESEWIJ-UHFFFAOYSA-N
-rxn:4:219410:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)cc2)CC1,PBCDATLPBLUSHU-UHFFFAOYSA-N
-rxn:4:219433:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)o2)CC1,XALBAJNECIHGRZ-UHFFFAOYSA-N
-rxn:4:219471:223787,CSc1ncc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,BUZBXLGGVJXHTH-UHFFFAOYSA-N
-rxn:4:219473:226479,CCCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)c1Cl,DLAZFQDSDSPGCF-UHFFFAOYSA-N
-rxn:4:219479:222931,O=C(c1cc(-c2cnc(Cl)c(N3CCCCC3O)c2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,VRZKVIXFZSFTOY-UHFFFAOYSA-N
-rxn:4:219497:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)cc1Cl,AEHZINDBDIDOTF-UHFFFAOYSA-N
-rxn:4:219498:224393,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cc(C(F)(F)F)ccc1N1CCOCC1,MCTSUTKHPFIQJS-UHFFFAOYSA-N
-rxn:4:219498:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)cc1C,LVQLSXSBXIKJRT-UHFFFAOYSA-N
-rxn:4:219499:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)cn1,PFGWECZMCBPYPR-UHFFFAOYSA-N
-rxn:4:219501:227218,CSc1ncc(-c2ccccc2OCCCF)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,UBWJKSXOEWPYNY-UHFFFAOYSA-N
-rxn:4:219501:227249,CCCOc1ccc(Cl)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,IXVWWDPUOREITA-UHFFFAOYSA-N
-rxn:4:219508:225172,Cc1nc(N2CCN(C(=O)c3ccccc3-c3cc(CN4CCOCC4)ccc3F)CC2)cc(C(F)(F)F)n1,WLVBMVMPJNREIG-UHFFFAOYSA-N
-rxn:4:219531:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,IVURQJSTJXJNGB-UHFFFAOYSA-N
-rxn:4:219619:223927,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3cc4cccnc4n3COCC[Si](C)(C)C)cc12,KIMMHLZJSBPCGY-UHFFFAOYSA-N
-rxn:4:219624:222730,CCCc1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)cc(C2CCNCC2)n1,MSJUYUBNOCFVIZ-UHFFFAOYSA-N
-rxn:4:219653:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2)CC1,MAOVXNBHUDJNRO-UHFFFAOYSA-N
-rxn:4:219654:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c3ccccc23)CC1,HXBLSGZVFYZUSN-UHFFFAOYSA-N
-rxn:4:219654:223960,CCN1CCN(C(=O)c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)ccc2F)CC1,FLADNNRRGXADMN-UHFFFAOYSA-N
-rxn:4:219696:223474,Cn1c(CN2CCN(C(=O)c3ccc(-c4ccc(OCc5ccccc5)c(C56CC7CC(CC(C7)C5)C6)c4)o3)CC2)nc2ccccc21,BVFXDRLUZVAZLQ-UHFFFAOYSA-N
-rxn:4:219706:224668,CCN1CCN(c2cc(F)cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c2)CC1,FCSYBCXXCATLTQ-UHFFFAOYSA-N
-rxn:4:219706:225165,COc1cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)ccc1N1CCOCC1,NFCZMBSZPFXPMW-UHFFFAOYSA-N
-rxn:4:219717:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CC4CN(c5nccc(C)n5)CC4C3)cc2)cc1,AVQCSONURBPVTP-UHFFFAOYSA-N
-rxn:4:219748:225159,O=C(c1cccc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N5CCCCCC5)cc4n3)cc2)c1)N1CCOCC1,XBIWVPBUJAOAIA-UHFFFAOYSA-N
-rxn:4:219759:222774,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(F)c(CN5CCC(O)CC5)c4)cc2)OC3)CC1,GFWHIOQEEDCHIL-UHFFFAOYSA-N
-rxn:4:219762:226834,CC(=O)C1=C(c2ccc(-c3cncc(OCC(F)(F)F)c3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,IFUQNZVTWKVNOT-UHFFFAOYSA-N
-rxn:4:219766:223603,O=C(c1cncc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,ZFORGNYREAWGKM-UHFFFAOYSA-N
-rxn:4:219867:222812,CCN1CCN(c2ncc(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])CC1,BDNXIXZCSKNREY-UHFFFAOYSA-N
-rxn:4:219872:222434,COC(=O)c1nc(Cl)c(N2CCN(C)CC2)nc1-c1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1,XKVFFAGSNXPNSG-UHFFFAOYSA-N
-rxn:4:219874:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(n2ccnn2)C1,IMVXELHESMJGNI-UHFFFAOYSA-N
-rxn:4:219934:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c(F)c2)CC1,GMBPCCZPCCWFNF-BWZATIJHSA-N
-rxn:4:219939:223812,COc1cc(N2CCN(c3ncccc3-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)CC2=O)ccn1,KECCNJDUWPLFFK-UHFFFAOYSA-N
-rxn:4:219954:223659,Cn1nccc1C1CCCCN1C(=O)c1cncc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,PCKOHIDBQQXVMX-UHFFFAOYSA-N
-rxn:4:219959:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cn1,IGUFIKNPAIDKBY-UHFFFAOYSA-N
-rxn:4:219998:225738,CCCCOc1cc(F)c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)cc1F,PKYBIIVHKXSFOQ-UHFFFAOYSA-N
-rxn:4:220091:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C(=O)c6ccno6)CC5)sc4c3)ccc2OC)CC1,TYZMZSZCAIHBMD-UHFFFAOYSA-N
-rxn:4:220118:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2Cl)CC1,VGSUBJOROGUKPO-UHFFFAOYSA-N
-rxn:4:220156:224352,O=C(c1nnn2c1COC(c1ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cc1)C2)N1CCSCC1,MLVZCKXSTAOPIS-UHFFFAOYSA-N
-rxn:4:220171:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)c(F)cc2C)CC1,PCOYFZCIYLYMGH-UHFFFAOYSA-N
-rxn:4:220191:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCCC6)C5)ncc4c3)cc2Cl)CC1,OVYIYUKNKWYNSO-UHFFFAOYSA-N
-rxn:4:220194:225262,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)N(C)OC)cc5OC)c(C)c4)C3C2=O)cc1,FUKWFAXQVDNQQF-UHFFFAOYSA-N
-rxn:4:220412:223712,COc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,YRJLHSSGSPBYGQ-UHFFFAOYSA-N
-rxn:4:220429:222775,OC1CCN(Cc2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)cc2F)CC1,AQGPHACJDRLBSY-UHFFFAOYSA-N
-rxn:4:220429:224884,CC1CCN(Cc2cccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c2)CC1,TYOMPJZFRRRSEQ-UHFFFAOYSA-N
-rxn:4:220518:223531,CCN1CCN(c2cnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3n2)CC1,GKRUQYOIIFKKCX-UHFFFAOYSA-N
-rxn:4:220533:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c(F)c2)CC1,LUEANQWTBXBRMW-UHFFFAOYSA-N
-rxn:4:220935:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)c(F)c2)CC1,KBPYHFMQCDYOPR-UHFFFAOYSA-N
-rxn:4:221108:225818,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(C(F)(F)F)cc4C4CC4)cn3)CC2)c(=O)c1C,DMPZLXGQQPHMOU-UHFFFAOYSA-N
-rxn:4:221137:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCN(Cc5nnco5)CC4)nc3)c3ccccc23)CC1,ZWDPTLPULPXRGG-UHFFFAOYSA-N
-rxn:4:221152:224195,CCN1CCN(Cc2cc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)ccc2Cl)CC1,GLPCUAHLHLIRCA-UHFFFAOYSA-N
-rxn:4:221170:222723,CCc1cnc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)nc1,SWMOHMBAPWSFJP-UHFFFAOYSA-N
-rxn:4:221173:222948,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)ccc1=O,GAOFUDLMXUOXJE-UHFFFAOYSA-N
-rxn:4:221175:227478,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cncc(C(OC)OC)c4)cn3)C2)C(=O)C1=O,FEWKCYMDVKOQGE-UHFFFAOYSA-N
-rxn:4:221175:228255,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(F)c4OC)cn3)C2)C(=O)C1=O,MZLHOIOPTBNHNB-UHFFFAOYSA-N
-rxn:4:221175:228258,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(C)ccc(F)c4OC)cn3)C2)C(=O)C1=O,WYGQPBDSKVNGKQ-UHFFFAOYSA-N
-rxn:4:221175:228411,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4F)cn3)C2)C(=O)C1=O,ZVJNLOYVVYROQL-UHFFFAOYSA-N
-rxn:4:221175:228794,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc([Si](C)(C)C)s4)cn3)C2)C(=O)C1=O,OKBBLWWWUPARRI-UHFFFAOYSA-N
-rxn:4:221180:222634,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1C,ASABNFSFNPWBSI-UHFFFAOYSA-N
-rxn:4:221193:227710,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OS(C)(=O)=O)cc4)cn3)C2)CC1,BJBKABLVNDKZEN-UHFFFAOYSA-N
-rxn:4:221230:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)CCC6)C4)nc3)cc2)CC1,ZCRPRXQJTYGGMW-UHFFFAOYSA-N
-rxn:4:221232:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2)CC1,BRBXHJKOYJFULM-UHFFFAOYSA-N
-rxn:4:221240:226715,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cnn(C(=O)OC(C)(C)C)c4)cn3)C1)CCC2,QWQXEXJWIKOKHF-UHFFFAOYSA-N
-rxn:4:221245:225172,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(CN6CCOCC6)ccc5F)c4)CC3)nn2c1C,XSIGDIAYVLIAOG-UHFFFAOYSA-N
-rxn:4:221249:225977,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)cnc5N5CCOCC5)cnn4c3)cc2)CC1,XGKBMBKEHXYVPS-UHFFFAOYSA-N
-rxn:4:221272:225977,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,WMKPBFBSFSILOQ-UHFFFAOYSA-N
-rxn:4:221345:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,UXBKIRRTSCHIRU-UHFFFAOYSA-N
-rxn:4:221353:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)c3)cc2)CC1,RKZVPVOTXOVUNC-UHFFFAOYSA-N
-rxn:4:221360:222442,Cn1cnc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cn3)C2)c1,MAIUAVNDMQWVDV-UHFFFAOYSA-N
-rxn:4:221387:223787,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)c1C,UHXMCCVYGXVEFD-UHFFFAOYSA-N
-rxn:4:221395:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc1,IIRSSEBBAURPEO-UHFFFAOYSA-N
-rxn:4:221395:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,YGQYHHIMHHIYAE-UHFFFAOYSA-N
-rxn:4:221402:222465,CN(C)c1nccc(N2CCN(Cc3ccccc3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)CC2)n1,FXPDSYRAFVYKBR-UHFFFAOYSA-N
-rxn:4:221437:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)s1,ZRKCQPRVLLISON-UHFFFAOYSA-N
-rxn:4:221437:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)o1,XPGVEZHFYZLOQB-UHFFFAOYSA-N
-rxn:4:221447:225287,Cc1cc(N2CCN(Cc3ccc(-c4cc(Cl)ncc4C(=O)OC(C)(C)C)cc3)CC2)nc(N2CCOCC2)n1,DNBKKIBMRCBZNM-UHFFFAOYSA-N
-rxn:4:221456:225532,CCN(CC)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,VGKLZPWTLWQWBP-UHFFFAOYSA-N
-rxn:4:221514:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(-c4noc(-c5nnn6c5COC(c5cccc(OC)c5)C6)n4)ccc3F)ccc2OC)CC1,ZLGGLOQQVWIOKI-UHFFFAOYSA-N
-rxn:4:221551:224485,COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5ccn([Si](C(C)C)(C(C)C)C(C)C)c5)cc4)c(C)c(C)n23)n(C)c1=O,CFPSMKYHRCXLRH-UHFFFAOYSA-N
-rxn:4:221588:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(Cn5ccnc5)C4)nc3)cc2[N+](=O)[O-])CC1,CPQDTMPSSNVRCI-UHFFFAOYSA-N
-rxn:4:221591:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncc(F)cn5)C4)c3)cc2[N+](=O)[O-])CC1,JGGZXDDLJRUXKN-UHFFFAOYSA-N
-rxn:4:221655:223892,Cc1cc(C(F)(F)F)n2nc(-c3cnn(C)c3C(F)(F)F)c(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2n1,YPUURFXFVXSVMV-UHFFFAOYSA-N
-rxn:4:221726:224017,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cn2)CC1,QNEUAVZYNQVJAH-UHFFFAOYSA-N
-rxn:4:221726:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,PSLCQTORZDOEQT-UHFFFAOYSA-N
-rxn:4:221832:222730,CCCc1cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,PZPVGUNJIMNZBB-UHFFFAOYSA-N
-rxn:4:221832:224689,O=C(c1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c(Cl)c1)N1CCCCC1,ATWHSBGYLPKJKV-UHFFFAOYSA-N
-rxn:4:221836:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,APAHHIWMGVMGHA-UHFFFAOYSA-N
-rxn:4:221935:223508,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,KGAYSTQSOBCRHJ-UHFFFAOYSA-N
-rxn:4:221937:222818,COC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nn4)CC3)nc2)c(F)cc1NC(C)=O,XUBFRALYDODYDS-UHFFFAOYSA-N
-rxn:4:221938:222582,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)C2)nn1,PPBLPXGQQXPWBA-UHFFFAOYSA-N
-rxn:4:221943:222405,O=C1NC(=O)C(c2cccc(-c3cncc(C(=O)N4CC(n5cc(CN6CCCC6=O)nn5)C4)c3)c2)N1,GOODPOSDFZIXGW-UHFFFAOYSA-N
-rxn:4:221980:224371,COC(=O)C1CCN(c2ncc(-c3cncc(-c4nn5c(=O)cc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5s4)c3)cn2)CC1,NIFAYMCZSCCBDZ-UHFFFAOYSA-N
-rxn:4:222008:224325,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)n1C,GXFROJBWHRNFOO-UHFFFAOYSA-N
-rxn:4:222009:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)nc1,SXWMLSFFACBGEF-UHFFFAOYSA-N
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-rxn:4:222156:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2C1,QLVVYCGVLQPDKA-UHFFFAOYSA-N
-rxn:4:222193:224126,CCN1CCN(C(C)c2cccc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c2)CC1,DLYWQOOXSHATEA-UHFFFAOYSA-N
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-rxn:4:222389:214619,CN(CC1COCCO1)c1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cn1,FALKKLBBDPLXHY-UHFFFAOYSA-N
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-rxn:4:222630:207074,CN1CCN(c2ccc(C3CC3)cc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)CC1,GCPQSQABVQVXBT-UHFFFAOYSA-N
-rxn:4:222723:218913,Cc1cc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)on1,PGQHEXGUTSHDMD-UHFFFAOYSA-N
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-rxn:4:222981:218868,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(NC4CCCCC4)c3)cc2)no1,IRKFCBHNBXRVQO-UHFFFAOYSA-N
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-rxn:5:176863:223061:225871,COC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)cc(OC)c1-c1cccc(N2C(=O)C=CC2=O)c1,QGRHGAKFCGOFHP-UHFFFAOYSA-N
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-rxn:5:177190:225461:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCCCC3)cc2C)c1,NVSRBDUENQNNFU-UHFFFAOYSA-N
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-rxn:5:177190:226452:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3OCCCO3)cc2)c1,RUBQMKTWTFYREY-UHFFFAOYSA-N
-rxn:5:177373:227803:223058,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)ccc1OCC1OCCO1,MYHMXLYRPLSWFA-UHFFFAOYSA-N
-rxn:5:177373:227803:225638,CC1CCN(c2ccc(-c3ccc(OCC4OCCO4)c(-c4ccnn4S(=O)(=O)N(C)C)c3)cn2)CC1,IRLBMTLXRAFQRN-UHFFFAOYSA-N
-rxn:5:177445:225976:226662,CC(C)=CCOc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(N2CCN(C)CC2)s1,JYEVMJYAZUILPO-UHFFFAOYSA-N
-rxn:5:177730:223065:226330,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)s1)N1CCCC1,WTDJILAVQAMYPO-UHFFFAOYSA-N
-rxn:5:177731:225439:223007,CC(c1cccc(-c2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)c1)N1CCCC1,XFVDLQWVYHKWHS-UHFFFAOYSA-N
-rxn:5:177732:223062:225438,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(C3CCNCC3)cc2F)cc1)N1CCCC1,XQWRZLFTCFLQKS-UHFFFAOYSA-N
-rxn:5:177732:223133:223054,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccccc2N2CCNCC2)s1)N1CCC(O)C1,FEGPFKCEIOQUJU-UHFFFAOYSA-N
-rxn:5:177732:225438:223139,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C3CCNCC3)nc2)cc1)N1CCCC1,AWLIBTKTSDYNMC-UHFFFAOYSA-N
-rxn:5:177732:225438:223294,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2csc(N3CCNCC3)n2)cc1)N1CCCC1,WENPBNWFHFSDFC-UHFFFAOYSA-N
-rxn:5:177732:225439:223294,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2csc(N3CCNCC3)n2)c1)N1CCCC1,FGPQGQYKLHGMHL-UHFFFAOYSA-N
-rxn:5:177732:225805:226658,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCCC3)nc2F)s1)N1CCOCC1,VOOYIMYHRCQPBJ-UHFFFAOYSA-N
-rxn:5:177733:225515:226794,CC1(C)COc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cnc(N5CCSCC5)nc4)c3)c2OC1,OPDZBOBBAZLCPL-UHFFFAOYSA-N
-rxn:5:177733:226645:226330,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCOCC4)c3)c2)s1)N1CCCC1,AXCZGCFFJPXVHR-UHFFFAOYSA-N
-rxn:5:177733:226794:223065,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2ccc(N3CCNCC3)cc2F)c1,ZOMPHNPJHXCSFS-UHFFFAOYSA-N
-rxn:5:177734:223132:226661,Cc1cc(-c2cccc(N3CCNCC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,JRINVHXFNGKTSM-UHFFFAOYSA-N
-rxn:5:177734:225982:223294,Cc1cc(-c2cnc(N3CCOCC3)cc2F)c(-c2csc(N3CCNCC3)n2)cc1C(=O)OC(C)C,VQJTYVDNXNXLGQ-UHFFFAOYSA-N
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-rxn:5:177736:225978:225438,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCOCC3)nc2F)cc1)N1CCCC1,FOYPBQXZUJMIAW-UHFFFAOYSA-N
-rxn:5:177737:225438:226679,CC(c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,MKQMOEBGWLUGMQ-UHFFFAOYSA-N
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-rxn:5:177739:223240:223054,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccc(C3CCNC3)nc2)s1)N1CCC(O)C1,OEDKICXSJSPDPR-UHFFFAOYSA-N
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-rxn:5:177850:226731:223139,CCOc1ccc(-c2ccccc2S(=O)(=O)N(C)C)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1,QPHDZXMLEZQNBD-UHFFFAOYSA-N
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-rxn:5:177891:223133:223354,CNC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccccc2N2CCNCC2)cc1,BZTOSFQVHGXOII-UHFFFAOYSA-N
-rxn:5:177891:223135:227507,O=C(SC1CS(=O)(=O)CC1c1cccc(C=C[N+](=O)[O-])c1)c1ccccc1-c1cccnc1C1CCCNC1,LEXPOUUKDFWVRZ-UHFFFAOYSA-N
-rxn:5:177891:223139:228339,COC(=O)c1cnccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2CCNCC2)nc1,BDPSDMVFPNAGSK-UHFFFAOYSA-N
-rxn:5:177891:223140:223384,CNC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCNC3)c2)cn1,LRTMKYUEWBAOEJ-UHFFFAOYSA-N
-rxn:5:177891:223142:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccc(C2CCCNC2)nc1,HGQVPIXDDZOERL-UHFFFAOYSA-N
-rxn:5:177891:223146:223138,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNCC2)c1)c1ccccc1-c1cccc(C2CNCCO2)c1,WKZIKEFNRUHOQT-UHFFFAOYSA-N
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-rxn:5:177891:223287:223200,CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCNC3)cc2)cc1,JOAHQPXNEBXNQK-UHFFFAOYSA-N
-rxn:5:177891:223288:223140,CNS(=O)(=O)c1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCNC3)c2)c1,GSWULOGLEHRIEP-UHFFFAOYSA-N
-rxn:5:177891:223289:226665,CNS(=O)(=O)c1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnc(C2CCCOC2)nc1,TUAAWLZIPHIDFG-UHFFFAOYSA-N
-rxn:5:177891:223295:226338,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(OC3CCCC3)c2)c1,MROGRZFJXXZPID-UHFFFAOYSA-N
-rxn:5:177891:223348:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)C(=O)NC3)s1)N1CCCC1,CMACGXFTBVAWTH-UHFFFAOYSA-N
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-rxn:5:177891:225798:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,ZNGXVAJCHDGZCU-UHFFFAOYSA-N
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-rxn:5:181908:225655:223056,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCC(O)CC3)nc2)cc1C1OCCO1,VSGMJAIXNVWDJO-UHFFFAOYSA-N
-rxn:5:182009:225832:223062,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1C1CCOCC1,DPORKYNOUAXWNC-UHFFFAOYSA-N
-rxn:5:182009:226139:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CC3)cnc2C2CC2)c(C2CCOCC2)c1,UZIWRMNXQGGGMD-UHFFFAOYSA-N
-rxn:5:182010:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCCNC3)c2)ccc1C1CCOCC1,UKBUNDCGEUFWIZ-UHFFFAOYSA-N
-rxn:5:182012:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)c(C2CCCOC2)c1,FMLFVQMBSOJBSC-UHFFFAOYSA-N
-rxn:5:182013:225684:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCOCC3)nc2C)cc1C1CCOCC1,WGFXYAGIFLMHHL-UHFFFAOYSA-N
-rxn:5:183189:222988:225438,Cc1cc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)cc3c2OC(C)(C)OC3)cc(C2CCNCC2)n1,OWNUHAQHHMEOFB-UHFFFAOYSA-N
-rxn:5:183189:225684:223008,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2cc(C3CCNCC3)ccc2F)cc2c1OC(C)(C)OC2,XCECQJQOERIHNG-UHFFFAOYSA-N
-rxn:5:183189:225832:223294,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2csc(N3CCNCC3)n2)cc2c1OC(C)(C)OC2,FFLRWJFMNRLNBA-UHFFFAOYSA-N
-rxn:5:183189:226652:222985,Cc1cc(-c2cc(-c3ccc(C4CCCNC4)nc3C)cc3c2OC(C)(C)OC3)n(C2CCCCO2)n1,LWTFFSQYRGNBKW-UHFFFAOYSA-N
-rxn:5:183216:223018:226062,CC(C)c1cc(-c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc3c2OC(C)(C)CC3=O)cc(C(C)C)c1,SMMFEUUANCOJLQ-UHFFFAOYSA-N
-rxn:5:188445:226440:225818,COC(=O)c1cc(-c2cc(F)nc(C3CCCC3)c2)cc([N+](=O)[O-])c1-c1ccc(C(F)(F)F)cc1C1CC1,KQJZDGLHDLSOPG-UHFFFAOYSA-N
-rxn:5:188447:225666:225455,COC(=O)c1c(-c2cc(N3CCCCC3)ccc2C)cc(-c2cc(F)cc(N3CCCCC3)c2)cc1[N+](=O)[O-],XOJPIOIBXMRPFK-UHFFFAOYSA-N
-rxn:5:188873:225446:225808,CON(C)C(=O)c1cc(-c2cc(OC3CCCC3)ncc2F)ccc1-c1cc(C)cc(OC2CCCC2)c1,DQFNLWPKQSNJGV-UHFFFAOYSA-N
-rxn:5:188932:223147:226649,COC(=O)c1cc(-c2ccc(C3CNCCO3)cc2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,CIFFRBOOBIHAMU-UHFFFAOYSA-N
-rxn:5:188932:226319:223065,COC(=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)c(S(N)(=O)=O)c(-c2ccc(N3CCNCC3)cc2F)c1,IWZBDWWOPIDWSC-UHFFFAOYSA-N
-rxn:5:189001:222980:225933,COC(=O)C1(c2nc(-c3cc(C4CC4)nc(C(F)(F)F)c3)ccc2-c2ccc(CN3CCNCC3)cc2)CC1,XOPHFJWLKJDZNV-UHFFFAOYSA-N
-rxn:5:189078:225683:225804,CCN(C)C(=O)c1cc(-c2ccc(C3CCCOC3)nc2C)ccc1-c1ccc(C(=O)N2CCC2)c(F)c1,VDSBEIZQNYAYCJ-UHFFFAOYSA-N
-rxn:5:189082:225587:225800,CN(C)C(=O)Cc1ccc(-c2ccc(C(=O)N3CCSC3)cc2)c(-c2cccc(CN3CCOCC3)c2)c1,VWKXYGXQAZSAQX-UHFFFAOYSA-N
-rxn:5:189207:223241:227700,COc1ccc([N+](=O)[O-])c(-c2ccc(-c3cncc(C4CCNC4)c3)cc2C(=O)ON2C(=O)CCC2=O)c1,WHPDHLYKZNBSEE-UHFFFAOYSA-N
-rxn:5:189208:225655:223340,CC1CCN(c2cncc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc5c(c4)NCCO5)c3)c2)CC1,BJTBAYDVCJPTCB-UHFFFAOYSA-N
-rxn:5:189209:223137:227985,CC(C)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cncc(C4CCCNC4)c3)c2)ccc1F,KSZBWGCDDVQKPV-UHFFFAOYSA-N
-rxn:5:189212:222981:225926,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccnc(NC3CCCCC3)c2)c1,GQMILHBWTJVVDV-UHFFFAOYSA-N
-rxn:5:189320:222993:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ncc(C(=O)OC(C)(C)C)cc1-c1cccc(N2CCCCC2O)c1,CWDZIALAIVXIFG-UHFFFAOYSA-N
-rxn:5:189320:226424:225976,CC1CCCN(c2csc(-c3cc(C(=O)OC(C)(C)C)cnc3-c3ccnc(N4CCOCC4)c3F)c2)C1,IHNKGUWOCWYVRO-UHFFFAOYSA-N
-rxn:5:189321:225600:225873,CC(C)(C)OC(=O)c1nc(-c2cccnc2OC2CCCCC2)ccc1-c1cccc(N2CCOCC2=O)c1,KDJQKDBFRCMKQR-UHFFFAOYSA-N
-rxn:5:189322:223018:226062,CC(C)c1cc(-c2ncc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc2C(=O)OC(C)(C)C)cc(C(C)C)c1,ZLUYEDUOXSPTSN-UHFFFAOYSA-N
-rxn:5:189664:226876:226345,COC(=O)c1cc(-c2cc(-c3ccc(F)cc3OC(F)(F)F)ccc2CC(=O)N2CCCC2)c(C)cc1C,FIJXYSWZVHYVOS-UHFFFAOYSA-N
-rxn:5:189664:227390:225600,O=C(Cc1ccc(-c2ccnn2C2CCCCC2)cc1-c1cccnc1OC1CCCCC1)N1CCCC1,GZYKTJKMAKZUED-UHFFFAOYSA-N
-rxn:5:189676:227404:225833,O=C(Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cc(N3CCCCC3)cs2)c1)N1CCCC1,VPUFFUYLKONPHQ-UHFFFAOYSA-N
-rxn:5:189718:227409:227063,Cc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(C(C)(C)C)ncc2F)c(OC(C)C)c1,DUTKHGHIOBJJEP-UHFFFAOYSA-N
-rxn:5:189827:225946:226869,CC(=O)c1cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cc(F)cc(OC(F)(F)F)c2)cc(C(F)(F)F)c1,DIKUTRWKDQUDCY-UHFFFAOYSA-N
-rxn:5:189908:225499:227057,COc1cccc(-c2ncc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCCCC2)c1C1CC1,FXHRSBXIIYITKK-UHFFFAOYSA-N
-rxn:5:189910:226794:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2cnc(N3CCSCC3)nc2)cc1CCN1CCOCC1,DCDAHWBCVMXQGO-UHFFFAOYSA-N
-rxn:5:189952:225655:227316,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)nc(CC(C)C)c1,VNDIIYKTEJACFU-UHFFFAOYSA-N
-rxn:5:189952:226849:223345,COc1nccc(-c2cc(C(=O)N3CCOCC3)cc(-c3cccc4c3NC(=O)C4)c2OC)c1C(F)(F)F,MOPGCIQJKDCFNU-UHFFFAOYSA-N
-rxn:5:190000:225625:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(CC(=O)N2CCCCC2)c(-c2cc(OC3CCCC3)ccc2F)c1,JTBHCGYDPCLSTL-UHFFFAOYSA-N
-rxn:5:190001:226899:223269,CC(=O)Nc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1F,NYCWTCSTBALUIP-UHFFFAOYSA-N
-rxn:5:190128:225849:227662,COC1CCN(C(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)c(-c3ccc(C)cc3C(F)(F)F)c2)CC1,QYGKOCFERUOHAW-UHFFFAOYSA-N
-rxn:5:190194:226146:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCC3)cc2)c1OC,JTBUZLJLODAQGW-UHFFFAOYSA-N
-rxn:5:190194:226183:227574,COc1c(F)ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cnccc2C2CCCCC2)c1OC,WBORWDCZCZMPQT-UHFFFAOYSA-N
-rxn:5:190194:227935:225677,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)nc2F)ccc1OC,XLOIWFNFNLWEFN-UHFFFAOYSA-N
-rxn:5:190199:222417:223061,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1CN(C)C1CCOCC1,VBFCULDDHQDVFA-UHFFFAOYSA-N
-rxn:5:190199:222417:225803,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1CN(C)C1CCOCC1,KPVHXYILCMIFFM-UHFFFAOYSA-N
-rxn:5:190199:227684:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cnn(CC2OCCO2)c1)C1CCOCC1,MJBUGYNJAMJPAU-UHFFFAOYSA-N
-rxn:5:190200:225620:226869,CN(Cc1cc(-c2ccc(OC3CCOCC3)cc2)cc(-c2cc(F)cc(OC(F)(F)F)c2)c1)C1CCOCC1,RSZBTXSZNQUUMC-UHFFFAOYSA-N
-rxn:5:190201:227684:223113,CC1CN(CCc2cc(-c3cnn(CC4OCCO4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,BZXAEOAOESZXSI-UHFFFAOYSA-N
-rxn:5:190231:223061:222417,COc1c(-c2cc(C3CCNCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(=O)[nH]c1C(C)C,AWEHVSZSQWOHEC-UHFFFAOYSA-N
-rxn:5:190231:227523:223284,COC(=O)c1cnc(C)cc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2ccc(NS(C)(=O)=O)cc2)c1OC,OFERUPNZEQCYLM-UHFFFAOYSA-N
-rxn:5:190335:226414:227079,COc1c(-c2ccc(C3=NCCCO3)cc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(CC(C)C)ccc1F,ROTLIIJKUACKAE-UHFFFAOYSA-N
-rxn:5:190336:226450:223017,COC(=O)c1cccc2cc(-c3cc(C(=O)N4CCCC(C)C4)cc(-c4cccc(C5(C)OCCO5)c4)c3OC)[nH]c12,ZHKRPOYESWZTOI-UHFFFAOYSA-N
-rxn:5:190484:223054:223312,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CNC5)cc4)S(=O)(=O)CC3)c2)s1)N1CCC(O)C1,BJQBWOWNCVQLTC-UHFFFAOYSA-N
-rxn:5:190484:223139:223149,CCOc1cc2cn[nH]c2cc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(C4CCNCC4)nc3)c2)CCS1(=O)=O,VOIYQHGJPFBTBT-UHFFFAOYSA-N
-rxn:5:190484:223142:228965,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,WAWPPRDQSKSADL-UHFFFAOYSA-N
-rxn:5:190484:223147:228895,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])cc2)S(=O)(=O)CC1,CMLVVTRNSTZNQG-UHFFFAOYSA-N
-rxn:5:190484:223354:223242,CNC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNC5)c4)S(=O)(=O)CC3)c2)cc1,YMBXXLVTYKMHQK-UHFFFAOYSA-N
-rxn:5:190484:226662:223311,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cccc(C6CNC6)c5)S(=O)(=O)CC4)c3)s2)CC1,LSVBFJCXQGMRQJ-UHFFFAOYSA-N
-rxn:5:190484:227506:223240,O=C(c1cccc(-c2cccc(/C=C/[N+](=O)[O-])c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)nc2)S(=O)(=O)CC1,SPCBGMKBDKMDGI-NBVRZTHBSA-N
-rxn:5:190680:225982:222989,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3cnc(N4CCOCC4)cc3F)c(-c3ccc(N4CCNCC4)cc3C)c12,KOAUMTCLPIVHHC-UHFFFAOYSA-N
-rxn:5:190681:225849:226654,CC(=O)Oc1cn(C(C)=O)c2cc(-c3csc(N4CCC(C)CC4)n3)c(-c3cnc(N4CCCCC4)cc3F)cc12,RUJCJQGBLFNCJW-UHFFFAOYSA-N
-rxn:5:190711:223062:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2n1C,PNQLIBDKMIETKH-UHFFFAOYSA-N
-rxn:5:190740:223061:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,WQPCSAAXYWNTEL-UHFFFAOYSA-N
-rxn:5:190740:225655:225633,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1ccc(N2CCCCCC2)nc1,DTBFIVRSPMLHOF-UHFFFAOYSA-N
-rxn:5:190740:226662:225978,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)s3)cc2c1-c1ccc(N2CCOCC2)nc1F,OYPUSDPALQZBOZ-UHFFFAOYSA-N
-rxn:5:190741:225834:223062,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,JPIMFXDXCFGQOV-UHFFFAOYSA-N
-rxn:5:190741:225976:223056,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,LPJDMTAHVNCSKT-UHFFFAOYSA-N
-rxn:5:190741:225980:225849,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,RWVKYKWUUNBDTN-UHFFFAOYSA-N
-rxn:5:190742:223065:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cnc(N2CCCCC2)cc1F,LDJZZEXFDCVQIF-UHFFFAOYSA-N
-rxn:5:190742:225590:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCCC4)c(F)c3)c2c1-c1ccnc(OC2CCOCC2)c1,QCHNSVOSDQVUBM-UHFFFAOYSA-N
-rxn:5:190742:225833:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cnc(N2CCOCC2)cc1F,OTEXXWQZTVXNEW-UHFFFAOYSA-N
-rxn:5:190742:225849:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccnc(N2CCOCC2)c1F,JYMXVCLCGDBKDU-UHFFFAOYSA-N
-rxn:5:190742:225976:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cncc(N2CCC(C)CC2)c1,FMURSKQTWOWGNL-UHFFFAOYSA-N
-rxn:5:190742:225978:223061,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cc(C2CCNCC2)ncc1F,ZNNRVANPIDDPCA-UHFFFAOYSA-N
-rxn:5:190743:225982:225982,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,YUZJVKJNESJZIG-UHFFFAOYSA-N
-rxn:5:190744:223061:223062,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,JEWWYEBKJIAVPO-UHFFFAOYSA-N
-rxn:5:190799:223082:226742,CNS(=O)(=O)c1c(C)cc(-c2c(-c3ccc(C#N)cc3C(F)(F)F)ccc3c2ccn3C(=O)OC(C)(C)C)cc1C,SBMQEUVSTUVVRM-UHFFFAOYSA-N
-rxn:5:190833:226826:228122,CCOc1nc(C)ccc1-c1ccc(-c2cc(C)cc(C(F)(F)F)c2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,IBNYOPMDOSODFO-UHFFFAOYSA-N
-rxn:5:190993:226781:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(CCN3Cc4cc(-c5cc(C)cc(OC(F)(F)F)c5)ccc4OCC3=O)cc2)cc1C,NMHHPNUJZJNKHV-UHFFFAOYSA-N
-rxn:5:191026:226895:228565,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(CSC)cc3)c2)c2cc(-c3cc(F)c(C(F)(F)F)cc3F)ccc2S1(=O)=O,OCCLDWMPVCKROE-UHFFFAOYSA-N
-rxn:5:192236:225607:227404,COc1cc(-c2cc(N3CCCCC3)cs2)c(S(N)(=O)=O)cc1-c1ccc(C(C)N2CCCCC2)s1,DCRSFYBUYXAFKZ-UHFFFAOYSA-N
-rxn:5:192562:223064:225987,N#CC1(c2ccc(-c3ccc(C4CCNCC4)nc3F)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)CCC1,DBFMKEZEPZDENJ-UHFFFAOYSA-N
-rxn:5:192562:225804:225637,CN1CCN(c2ccccc2-c2cc(C3(C#N)CCC3)ccc2-c2ccc(C(=O)N3CCC3)c(F)c2)CC1,LJWPREILNLSSQR-UHFFFAOYSA-N
-rxn:5:192569:225945:225809,O=C(c1ccc(-c2cc(F)ccc2OC2CCOC2)c(-c2ccc(C#CC(F)(F)F)c(F)c2)c1)N1CCC1,VNDCLPIQDJJTNI-UHFFFAOYSA-N
-rxn:5:193054:223173:225834,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cc(N2CCCCC2)ncc1F)N1CCCC1,ARCSDVOXEBDHBZ-UHFFFAOYSA-N
-rxn:5:193054:223173:225849,O=C(c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cnc(N2CCCCC2)cc1F)N1CCCC1,BBBDLOFJDLFIAW-UHFFFAOYSA-N
-rxn:5:193225:223004:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2ccc(C3CCNCC3)c(F)c2)cc1C(=O)N1CCOCC1,NVNJIEWAVMAGMM-UHFFFAOYSA-N
-rxn:5:193225:227041:225452,CCOc1cc(C)c(-c2ccc(-c3ccc(OC4C=CCCC4)cc3)c(C(=O)N3CCOCC3)c2)cc1C,UGQFEJKXIJMPEC-UHFFFAOYSA-N
-rxn:5:193226:225976:226645,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccnc(N3CCOCC3)c2)c1)N1CCOCC1,QUFUFEASSKQMFM-UHFFFAOYSA-N
-rxn:5:193228:226759:226849,COc1cc(-c2cc(C(=O)N3CCSCC3)cc(-c3ccnc(OC)c3C(F)(F)F)c2)cc(C(F)(F)F)c1,UASJRDWBKNYGRB-UHFFFAOYSA-N
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-rxn:5:194058:225982:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCCCC1,OZYFPINPYMXUDT-UHFFFAOYSA-M
-rxn:5:194058:226661:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCC(O)C1,XRZTXZVZQCDJOC-UHFFFAOYSA-M
-rxn:5:194058:226662:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCN(C)CC3)s2)s1)N1CCCCC1,KYAIGKDGJFQTJL-UHFFFAOYSA-M
-rxn:5:194397:225804:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CC3CC3C2)c(-c2ccc(C(=O)N3CCC3)c(F)c2)c1,SVLAXAQTIPRFGZ-UHFFFAOYSA-N
-rxn:5:194510:225583:222988,Cc1cc(-c2cc(CN3C(=O)c4ccccc4C3=O)cc(-c3cccc(C(=O)N4CCCC4)c3)c2)cc(C2CCNCC2)n1,TVIDZMZEQHCXOO-UHFFFAOYSA-N
-rxn:5:194561:225435:228508,CC(C)c1cccc(-c2ccc(-c3ccccc3CN3CCCCC3)cc2C(=O)N2C3CCC2COC3)c1,JTJMMCVCYVXJIK-UHFFFAOYSA-N
-rxn:5:194561:228547:225822,CCCc1ccncc1-c1ccc(-c2cccc(C(F)(F)F)c2C2CC2)c(C(=O)N2C3CCC2COC3)c1,CDKRFKQTIDQRET-UHFFFAOYSA-N
-rxn:5:194575:226420:225985,O=S1(=O)CCCN1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(F)c(N4CCCC4)c2)C3)c1,PMGUPRUEMNTDSD-UHFFFAOYSA-N
-rxn:5:194733:225933:229306,Cc1cnc(-c2ccc(-c3cc(C4CC4)nc(C(F)(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)s1,QZVCUBPLBOIJRG-UHFFFAOYSA-N
-rxn:5:194733:228196:227956,Cc1cc(-c2ccc(-c3c(C)ncnc3C3CC3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc(C(C)C)n1,JOULGEZICYQXDC-UHFFFAOYSA-N
-rxn:5:194767:222417:226588,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(OC3CCC3)ncc2F)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,KPKQDHYDKXDOTD-UHFFFAOYSA-N
-rxn:5:194767:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,DNMPYFSSAIHTII-UHFFFAOYSA-N
-rxn:5:194767:223065:227020,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3-c3cncc(C#CC4CC4)c3)C2)c2ccccc21,KNNIWEXUAMHLSF-UHFFFAOYSA-N
-rxn:5:194767:228868:223188,CNc1cc(C(F)(F)F)c(-c2ccc(-c3ccc(C(=O)OC)s3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cn1,WMDXHEIUSHFTEU-UHFFFAOYSA-N
-rxn:5:194782:227838:226374,Cc1ccc(C2CC2)c(-c2ccc(-c3cncnc3C3CCCCC3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,XDNQRMLTSAKOMK-UHFFFAOYSA-N
-rxn:5:194791:226903:227495,CCN(C)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5c(C)ccc6ccccc56)C(=O)C34)cc2)c(F)cn1,JRWJCVDBBUAXTE-UHFFFAOYSA-N
-rxn:5:194791:227142:225982,COc1ccc2sc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6cnc(N7CCOCC7)cc6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2c1,IMAPZWZYJOWGGC-UHFFFAOYSA-N
-rxn:5:196408:222985:222956,Cc1ccc(-c2ccc(C3=NOCCO3)c(-c3ccc(C4CCCNC4)nc3C)c2)c(C2CCCNC2)c1,MFPCECBLPGNTNT-UHFFFAOYSA-N
-rxn:5:196670:225884:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(-c2ccc(C3COCCO3)c(F)c2)c1C1CCCC1,WDIDQNFCPBVORX-UHFFFAOYSA-N
-rxn:5:196790:223141:225655,CC1CCN(c2cncc(-c3ccc(N4CCOCC4=O)c(-c4cncc(C5CCNCC5)c4)c3)c2)CC1,MSRFIONOTCRDJB-UHFFFAOYSA-N
-rxn:5:196791:226395:225849,O=C1COCCN1c1cccc(-c2cncc(N3CCCCC3)c2)c1-c1cnc(N2CCCCC2)cc1F,BRNQPRIRFOLCGQ-UHFFFAOYSA-N
-rxn:5:196795:222980:223183,CNS(=O)(=O)c1ccc(-c2ccc(N3CCOCC3=O)cc2-c2ccc(CN3CCNCC3)cc2)c(C)c1,MRRYGAFOHHYZHA-UHFFFAOYSA-N
-rxn:5:196858:223007:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ncc1-c1cc(F)cc(C2CCNCC2)c1,LXSNULBAMGBCIB-UHFFFAOYSA-N
-rxn:5:196858:226794:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cnc(N2CCSCC2)nc1,LLMMVJXHURYAAO-UHFFFAOYSA-N
-rxn:5:196870:225832:227390,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnn2C2CCCCC2)cc(N2CCOCC2)c1,PLIWTWQNLXIKDP-UHFFFAOYSA-N
-rxn:5:196917:225833:223173,CC1(C)COC(c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2ccnc(N3CCCCC3)c2F)=N1,SHLPNCCZJWFOEZ-UHFFFAOYSA-N
-rxn:5:196917:225849:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cnc(N3CCCCC3)cc2F)=N1,LLLDGCKWERNMBP-UHFFFAOYSA-N
-rxn:5:196917:225849:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cnc(N3CCCCC3)cc2F)=N1,LZNWGQUGDLCZAQ-UHFFFAOYSA-N
-rxn:5:196917:225985:226177,CC1(C)COC(c2cc(-c3ccnc(C4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,NOFLVCMZKDUREQ-UHFFFAOYSA-N
-rxn:5:196917:225985:226366,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,NFOVLIMFISZGGN-UHFFFAOYSA-N
-rxn:5:196917:225985:226422,CC1(C)COC(c2cc(-c3cc(F)ccc3N3CCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,RZTWGTWZYDBAAQ-UHFFFAOYSA-N
-rxn:5:196917:225985:226664,CC1(C)COC(c2cc(-c3cc(N4CCCC4)ncc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,JBHHHBSDGIACKJ-UHFFFAOYSA-N
-rxn:5:196917:225986:226658,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)nc3F)ccc2-c2ccccc2N2CCCS2(=O)=O)=N1,DBFJMCMPWPWFOV-UHFFFAOYSA-N
-rxn:5:196917:226658:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(N3CCCC3)nc2F)=N1,WVALSUKPHPLQNJ-UHFFFAOYSA-N
-rxn:5:196919:223173:225833,CC1(C)COC(c2ccc(-c3ccc4c(c3)C(O)CS4(=O)=O)cc2-c2ccnc(N3CCCCC3)c2F)=N1,NZPOFXDRLWZAMS-UHFFFAOYSA-N
-rxn:5:196919:225985:226366,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(N3CCCCC3)c2)=N1,VTONFDWJADTKJW-UHFFFAOYSA-N
-rxn:5:196919:225985:226658,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCCC3)nc2F)=N1,KFBSYBDJNHZOJF-UHFFFAOYSA-N
-rxn:5:196919:225986:226679,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cnc(N3CCCC3)cc2F)=N1,MVDDILQDUFXGJV-UHFFFAOYSA-N
-rxn:5:196919:225987:226664,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cc(N3CCCC3)ncc2F)=N1,NCSYPTOKAXEHCZ-UHFFFAOYSA-N
-rxn:5:196919:225987:226679,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cnc(N3CCCC3)cc2F)=N1,CSJZCXFCPFNLJL-UHFFFAOYSA-N
-rxn:5:196919:226366:225985,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,OKMJDTGIZMTTKQ-UHFFFAOYSA-N
-rxn:5:196919:226366:225986,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,SHWAIWAZUQVWQW-UHFFFAOYSA-N
-rxn:5:196919:226664:225985,CC1(C)COC(c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,LPYOOZMWSQOMHF-UHFFFAOYSA-N
-rxn:5:196969:222958:223062,Cc1ccc(-c2cnc(C3CCCCC3)cc2-c2cnc(C3CCNCC3)cc2F)cc1C1CCNCC1,ORKDQGHGSXKWDV-UHFFFAOYSA-N
-rxn:5:196969:222988:223063,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2cc(F)nc(C3CCNCC3)c2)cc(C2CCNCC2)n1,JNMSFBVNGGBDFF-UHFFFAOYSA-N
-rxn:5:196970:222986:223001,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2cc(C3CCCNC3)ccc2F)cc(C2CCCNC2)n1,BAVRUQXDEJCJJP-UHFFFAOYSA-N
-rxn:5:196971:223001:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCCNC3)ccc2F)ncc1C1CCCCC1,YDQVDOKEPRANNU-UHFFFAOYSA-N
-rxn:5:196978:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCNC3)nc2)ccc1N1CCCCC1,AYTHIHSFAZUEBS-UHFFFAOYSA-N
-rxn:5:225498:193808:227371,COc1c(C)ccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2CN2CCC(C)CC2)c1OC,VYRZQRWQWLRNFK-UHFFFAOYSA-N
-rxn:5:225672:196969:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1cc(F)nc(C2CCCCC2)c1,IEWDDIXXZWYRJU-UHFFFAOYSA-N
-rxn:5:225832:181907:226382,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2cnc(C3CCCCC3)nc2)c(C2OCCO2)c1,JOPLXAKHZMELRD-UHFFFAOYSA-N
-rxn:5:225832:182010:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2c(C)nn(C3CCCCO3)c2C)c1,DPEKFERUBMOOMM-UHFFFAOYSA-N
-rxn:5:225832:192082:223058,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OC2COC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,HSYJKXLIURQVQG-UHFFFAOYSA-N
-rxn:5:225832:196408:223137,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCCNC3)c2)ccc1C1=NOCCO1,DFXLPZNXKGNQIW-UHFFFAOYSA-N
-rxn:5:225832:196869:226182,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2cccnc2C2CCCCC2)c1,FZEYDLTUEQZBNZ-UHFFFAOYSA-N
-rxn:5:225832:196971:223058,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)c(C2CCCCC2)cn1,MMDHIBDHVJDZQQ-UHFFFAOYSA-N
-rxn:5:225849:194058:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCCCC1,FFHPYXFIGHTYAL-UHFFFAOYSA-M
-rxn:5:225871:189320:226154,COc1cc(C(C)(C)C)ccc1-c1ncc(C(=O)OC(C)(C)C)cc1-c1cccc(N2C(=O)C=CC2=O)c1,HXOBOFFRKZTJDB-UHFFFAOYSA-N
-rxn:5:226059:189322:223082,CNS(=O)(=O)c1c(C)cc(-c2ncc(-c3ccc(C(C)C)cc3C(C)C)cc2C(=O)OC(C)(C)C)cc1C,TUKLUTHJYUMTHG-UHFFFAOYSA-N
-rxn:5:226061:178295:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,USRQJDIJTSKPTL-UHFFFAOYSA-N
-rxn:5:226085:178295:227932,COCc1ccc(C)c(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AIJNMSSTSQUGGV-UHFFFAOYSA-N
-rxn:5:226154:178295:228608,COC(=O)C1(c2cc(-c3ccc(C)cc3OC)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,NOLKEUDSBJISRO-UHFFFAOYSA-N
-rxn:5:226183:180022:225674,COc1c(-c2cnc(C3CCCCC3)cc2F)ccc(-c2cnccc2C2CCCCC2)c1C1OCCO1,WDMCQCKQNBGGRD-UHFFFAOYSA-N
-rxn:5:226322:178295:227970,COC(=O)C1(c2cc(-c3ccncc3C(C)(C)C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,RXDWJPMYSGFTLP-UHFFFAOYSA-N
-rxn:5:226324:180022:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2cccnc2OC2CCCC2)c1C1OCCO1,LMEKGMAQMACUCA-UHFFFAOYSA-N
-rxn:5:226366:193972:228883,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)cnc1F,LTAYYEBMSJWYSV-UHFFFAOYSA-N
-rxn:5:226374:180022:225449,COc1c(-c2cccc(OC3CCCCC3)c2)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,NYBPKTVTOQRFJP-UHFFFAOYSA-N
-rxn:5:226437:197876:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AXNQMXJDEFCBLJ-UHFFFAOYSA-N
-rxn:5:226438:182012:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCCC3)cc2F)cc1C1CCCOC1,XWXWXLXPYZWCCE-UHFFFAOYSA-N
-rxn:5:226438:197876:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cnc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,XHWVNNRYBULFLS-UHFFFAOYSA-N
-rxn:5:226579:178295:228555,COCc1ccccc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZJWAZVXFBXGPKZ-UHFFFAOYSA-N
-rxn:5:226686:182013:225683,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2CCOCC2)c1,REZIXJMFOREKJB-UHFFFAOYSA-N
-rxn:5:226686:196858:223063,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1cc(F)nc(C2CCNCC2)c1,RCBIDSXAJJNMKG-UHFFFAOYSA-N
-rxn:5:226686:196870:222985,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCNC3)nc2C)cc(N2CCOCC2)c1,HTXZKCQSIIKHBB-UHFFFAOYSA-N
-rxn:5:226686:196969:225638,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1ccc(N2CCC(C)CC2)nc1,CXTPXUYFGBEPPF-UHFFFAOYSA-N
-rxn:5:226686:196970:225638,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccc(N2CCC(C)CC2)nc1,PLXZNYIIAYLQEB-UHFFFAOYSA-N
-rxn:5:226772:178295:228549,CCCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FECSUYRVJIKBJD-UHFFFAOYSA-N
-rxn:5:226778:189908:226069,COc1cc(-c2cnc(-c3cccc(C4CCCCC4)c3)c(OCC3CCCCC3)c2)c(F)c(F)c1OC,JEBZDFTWJNXKCS-UHFFFAOYSA-N
-rxn:5:226911:178295:227330,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(=O)OC)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,NURTUCRKNIMADE-UHFFFAOYSA-N
-rxn:5:226914:178295:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,IPMPTOBGYSCWLI-UHFFFAOYSA-N
-rxn:5:226916:178295:227816,CCCc1ccc(-c2ccc(-c3cccc(C4=CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,MZXOGJPRJMJPOR-UHFFFAOYSA-N
-rxn:5:226920:178295:226913,CCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,WUHVJUJQJPNGTB-UHFFFAOYSA-N
-rxn:5:226926:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,XFPXOUMLKLUJHH-UHFFFAOYSA-N
-rxn:5:227038:178295:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JGVVAKPHUMMPNM-UHFFFAOYSA-N
-rxn:5:227045:178295:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,WANWSCOYKNCTBH-UHFFFAOYSA-N
-rxn:5:227048:178295:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,ZFVHOIODFBKUGZ-UHFFFAOYSA-N
-rxn:5:227052:190833:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,FROVPXIIENVFOU-UHFFFAOYSA-N
-rxn:5:227065:178295:228239,COC(=O)C1(c2cc(-c3cc(C)c(OC)nc3C)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,SCOLFYFIGNSDPV-UHFFFAOYSA-N
-rxn:5:227075:178295:228567,CCC(C)c1sccc1-c1ccc(-c2cc(OC)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,FMOPKLDUWXPHQL-UHFFFAOYSA-N
-rxn:5:227078:178295:228400,COC(=O)C1(c2cc(-c3ccc(F)c(F)c3OC)ccc2-c2cc(OC)ccc2C2CC2)CCC(=O)CC1,LDMBJQQHMBSWAT-UHFFFAOYSA-N
-rxn:5:227079:178295:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(CC(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KYTWGBHXQOSYJZ-UHFFFAOYSA-N
-rxn:5:227084:189208:226926,Cc1cc(C(C)(C)C)ccc1-c1cc(-c2ccc(C(C)(C)C)nc2C)ccc1C(=O)ON1C(=O)CCC1=O,BVKMNWADDDZLLH-UHFFFAOYSA-N
-rxn:5:227313:178295:227826,CCC(C)c1cc(-c2ccc(-c3cccc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,AZVFCLZXQFBEFE-UHFFFAOYSA-N
-rxn:5:227336:178295:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(F)cc3OC(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UCPHXDBGPAMGPE-UHFFFAOYSA-N
-rxn:5:227346:178295:228333,CCCc1cc(F)c(-c2ccc(-c3c(SC)ccnc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,XCFUEAQESNOPBK-UHFFFAOYSA-N
-rxn:5:227353:178295:228415,COC(=O)C1(c2cc(-c3cc(F)ccc3C(F)F)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,VSZZKZNSBBMLSC-UHFFFAOYSA-N
-rxn:5:227415:178295:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(C(C)(C)C)nc2F)CCC(=O)CC1,PKKFHOGRJBCJDZ-UHFFFAOYSA-N
-rxn:5:227525:178295:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3CC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,ITYYOIFEUHWFOT-UHFFFAOYSA-N
-rxn:5:227540:178295:227038,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3OC)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,FZPCNLWRVAUWEH-UHFFFAOYSA-N
-rxn:5:227561:190194:227119,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)cs2)cc1OC,XVDSNZZSRRBDSO-UHFFFAOYSA-N
-rxn:5:227588:178295:228181,COCc1cc(F)ccc1-c1ccc(-c2c(OC)cc(F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,FNZCUMMCPTYBCO-UHFFFAOYSA-N
-rxn:5:227589:178295:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C)cc(OC(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,GVCBXHDBGIIJRQ-UHFFFAOYSA-N
-rxn:5:227611:190194:228200,COC1CCN(Cc2cccc(-c3ccnn3C3CCCCO3)c2-c2ccnn2C2CCCC2)CC1,SWRVYFVJUAWCIX-UHFFFAOYSA-N
-rxn:5:227675:178295:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(OC)c(C)c(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,AFLLEUMABMSZGV-UHFFFAOYSA-N
-rxn:5:227701:178295:227831,CCc1c(C)cc(-c2ccc(-c3cc(C(=O)OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,CCHPUGQNSQWZLX-UHFFFAOYSA-N
-rxn:5:227813:178295:227529,CCc1cccc(CC)c1-c1ccc(-c2ccc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,NVHZLSBJEUOVIF-UHFFFAOYSA-N
-rxn:5:227818:178295:227301,CCC(C)c1cccc(-c2ccc(-c3ccc(F)cc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JOGVWGHMWZWEFJ-UHFFFAOYSA-N
-rxn:5:227821:178295:225499,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,OEFCKIFGYKCKCM-UHFFFAOYSA-N
-rxn:5:227821:178295:227508,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C)nc(C(=O)OC)c2)cc1C1(C(=O)OC)CCC(=O)CC1,MSIONLKTQFVATP-UHFFFAOYSA-N
-rxn:5:227872:178295:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2ccc3c(c2)CCC3=O)CCC(=O)CC1,MSZGIQXJOAOSLB-UHFFFAOYSA-N
-rxn:5:227901:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,MIINSLVRAKMMFV-UHFFFAOYSA-N
-rxn:5:227907:178295:227313,CCC(C)c1cncc(-c2ccc(-c3cc(C(C)CC)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,SBXABELHBBVYCF-UHFFFAOYSA-N
-rxn:5:227907:178295:227326,CCC(C)c1cncc(-c2ccc(-c3cc(C(=O)OC)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KWJLPYVSABWKEL-UHFFFAOYSA-N
-rxn:5:227909:178295:227338,CCC(C)c1cc(-c2ccc(-c3cc(OC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,FLOXFMFOWGFBGN-UHFFFAOYSA-N
-rxn:5:227914:178295:227287,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3OC)ccc2-c2ccccc2OC(C)C)CCC(=O)CC1,XSHGGBNXGGNREU-UHFFFAOYSA-N
-rxn:5:227922:178295:227568,CCc1cc(OC)ccc1-c1ccc(-c2c(F)cc(OC)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,NBZXMTCOTBGYHR-UHFFFAOYSA-N
-rxn:5:227926:178295:227704,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3OC)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,LZBDNVKBGGUOOU-UHFFFAOYSA-N
-rxn:5:227935:178295:227521,CCc1cc(-c2ccc(-c3cc(C(=O)OC)cnc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,NXEPZFCPTYTCCA-UHFFFAOYSA-N
-rxn:5:227940:178295:227329,CCc1cc(SC)cc(-c2ccc(-c3cc(C(C)=O)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZSIFYSFALLGPBZ-UHFFFAOYSA-N
-rxn:5:227955:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(C)cnc2C(C)C)CCC(=O)CC1,NGAYDRBULHBXOZ-UHFFFAOYSA-N
-rxn:5:228012:193506:226395,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C3CC3)cc2-c2cncc(N3CCCCC3)c2)CC1,FYHGURNGRFKNAX-UHFFFAOYSA-N
-rxn:5:228016:178295:227935,CCc1cc(-c2ccc(-c3cc(C4CCCC4)cs3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,BFQLHRPCQDDPJY-UHFFFAOYSA-N
-rxn:5:228144:178295:227544,CCCc1ccc(-c2ccc(-c3cc(F)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,IXNOWGXUYXLIOD-UHFFFAOYSA-N
-rxn:5:228146:178295:226059,CCc1cncc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,CCMNXSSZCYOKJJ-UHFFFAOYSA-N
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-rxn:5:228177:178295:227544,COCc1ccc(F)cc1-c1ccc(-c2cc(F)ccc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,WLEDLCHNPAFVAT-UHFFFAOYSA-N
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-rxn:5:228274:178295:227312,CCC(C)c1ccc(-c2ccc(-c3cc(SC)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,JRLHFPDDNCVWDN-UHFFFAOYSA-N
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-rxn:5:228515:178295:226059,CCc1cccc(C)c1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,RJVVAZOCIMMEGK-UHFFFAOYSA-N
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-rxn:5:228567:178295:227058,CCC(C)c1sccc1-c1ccc(-c2cc(C3CC3)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,KXLTWENNOUECSK-UHFFFAOYSA-N
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-rxn:5:228732:193972:226366,Cc1cc(-c2cccc(C#N)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IOSYTZCKNXVGTM-UHFFFAOYSA-N
-rxn:5:228732:193972:226794,Cc1cc(-c2cccc(C#N)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,OBOKZCRCADFVAD-UHFFFAOYSA-N
-rxn:5:229053:193867:225498,COCc1ccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)cc(C3(N4CCC(=O)CC4)CC3)c2)s1,FZUCKDULDZLFHH-UHFFFAOYSA-N
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-rxn:4:173477:222389,CCOC(=O)c1ccc(OCc2ccccc2F)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,VBAIBYRFQUSMQL-UHFFFAOYSA-N
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-rxn:4:173657:223939,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc3c(c1)N(C(=O)OC(C)(C)C)CCO3)C2=O,LUKZDUOJMCPZQT-UHFFFAOYSA-N
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-rxn:4:173809:226844,O=C(c1cc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)ccn1)C(F)(F)F,HQYQFPDDXRABCH-UHFFFAOYSA-N
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-rxn:4:174148:223489,CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1Cl,UCIFCVWMEUDNJX-UHFFFAOYSA-N
-rxn:4:174153:222624,COC(=O)C(C)(C)COc1cc(F)cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)c1,IEQATBPPOIAULA-UHFFFAOYSA-N
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-rxn:4:174247:223669,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,JESJCYOAQXUETA-UHFFFAOYSA-N
-rxn:4:174302:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(C)(C)C(=O)OCC)c(OC)c3)cc2)CC1,KFNZIVIAMNRFOD-YHBQERECSA-N
-rxn:4:174406:223881,COC(=O)C1(c2ccc(-c3cc4ccc(C)cc4n3C(=O)OC(C)(C)C)cc2)CC(OC)(OC)C1,JREKMSLMYZTFCK-UHFFFAOYSA-N
-rxn:4:174406:224933,COC(=O)C1(c2ccc(-c3ccc(OCCN4CCCC4)cc3)cc2)CC(OC)(OC)C1,PEFCBSOKCMXPOU-UHFFFAOYSA-N
-rxn:4:174406:224949,COC(=O)C1(c2ccc(-c3ccc(OC)c(CN4CCCC4)c3)cc2)CC(OC)(OC)C1,YRSLSZKUVOLIAN-UHFFFAOYSA-N
-rxn:4:174407:225183,COC(=O)C1(c2cccc(-c3ccc(OC4CCCCC4)nc3F)c2)CC(OC)(OC)C1,DIYRARSPRRNLLI-UHFFFAOYSA-N
-rxn:4:174427:222606,CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)c1,NGLKBHHOAOTIBX-UHFFFAOYSA-N
-rxn:4:174508:222584,CC1(C)CC(=O)C(Sc2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)=C(OC(=O)c2ccco2)C1,CLJADXSOLLBILJ-UHFFFAOYSA-N
-rxn:4:174517:224656,CCCCCC1CCC(c2ccc(-c3ccc(OC)c(OC4CCCC4)c3F)cc2)CC1,UAUSTBOHZVFADA-UHFFFAOYSA-N
-rxn:4:174522:224283,CC(C)[Si](C#Cc1ccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1)(C(C)C)C(C)C,FXLVLYNLUUPKGC-UHFFFAOYSA-N
-rxn:4:174540:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(OCC45CC(C(=O)OC)(C4)C5)c3)c(F)cc2C)CC1,IDLGGASYXLWQIN-UHFFFAOYSA-N
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-rxn:4:174649:222495,COc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2F)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,UXXNLNAZGHUDQK-UHFFFAOYSA-N
-rxn:4:174653:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)[C@@H](c2cc(OC)cc(OC)c2)[C@@H](c2ccc(OC)cc2)O3)c(F)c1,KULRTHNNIXYDHF-KKLWWLSJSA-N
-rxn:4:174663:223142,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(C3CCCNC3)nc2)cc1,HEBXYMWTXXQVSE-FFBLWCPDSA-N
-rxn:4:174663:223184,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc(N3CCNCC3)nc2)cc1,HQPMNAQFNOVJIF-OUYRWIGOSA-N
-rxn:4:174689:222744,CC(C)(C)OC(=O)NCc1ccccc1-c1cc(OC(F)(F)F)ccc1C(=O)C(F)(F)F,JDOSYOZQGWCTON-UHFFFAOYSA-N
-rxn:4:174930:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(S(=O)(=O)CCC(F)(F)F)c1,RUAPHUUDOFCNEL-UHFFFAOYSA-N
-rxn:4:174943:223652,CCOC(=O)c1cc(C(F)(F)F)c(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)cc1F,LPCCGOZLTJGJLT-UHFFFAOYSA-N
-rxn:4:175224:223687,CCCOc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1C(C)=O,OKWMHTJMSKDYOE-UHFFFAOYSA-N
-rxn:4:175296:223501,CC(C)CCOc1cc(F)cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,JSNMFKNZPYRDAA-UHFFFAOYSA-N
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-rxn:4:175740:222573,C[Si](C)(C)C(F)(F)C(F)(F)Oc1ccc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)cc1,ZHOJAAMHHQRDMX-UHFFFAOYSA-N
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-rxn:4:176147:224246,CC1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)Oc4ccc(C5SCCCS5)cc4)cc3)cc2F)CC1,OBSMNTDHPVCQDO-UHFFFAOYSA-N
-rxn:4:176433:223786,CN1CCN(CCCOc2ccc(-c3ccc(OCC(F)(F)F)c(F)c3Cl)cc2Cl)CC1,JINIUIWDAYIHMX-UHFFFAOYSA-N
-rxn:4:176515:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2C(F)(F)F)cc1C(F)(F)F,DWBSKPLVQNCTFQ-UHFFFAOYSA-N
-rxn:4:176625:223521,COC(=O)Cc1ccc(F)c(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,QKNMJBIGGOAFLB-UHFFFAOYSA-N
-rxn:4:177848:223712,COc1ccc(-c2ccc(OC3CCC3)c(C(C)=O)c2)cc1C12CC3CC(CC(C3)C1)C2,LTOCMRNBGMPCHU-UHFFFAOYSA-N
-rxn:4:178124:223918,COc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c(F)c1OC1CCCC1,VEJJUUNIMGHEBU-UHFFFAOYSA-N
-rxn:4:178328:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)CC3CCCCC3)cc2)CC1,QQEYCHQXSFHJNP-UHFFFAOYSA-N
-rxn:4:178329:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)CC4CCCCC4)c3)c2)CC1,SUSOCFPCVCIEBZ-UHFFFAOYSA-N
-rxn:4:178384:226253,CCCOc1cc(OC)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,VMEPGFZQLKPTNH-UHFFFAOYSA-N
-rxn:4:178384:226341,COc1cc(F)c(C(C)C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,URHFOKAARXUSHN-UHFFFAOYSA-N
-rxn:4:178384:228738,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C)n1,XDSJZWUYBOBHKG-UHFFFAOYSA-N
-rxn:4:178384:228849,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(Cl)c1F,NYJMPWCJPSIFDC-UHFFFAOYSA-N
-rxn:4:178384:228936,Cc1c(Cl)cnc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,OIHGRGPAPDEMAQ-UHFFFAOYSA-N
-rxn:4:178594:226448,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cnc(Cl)c(C2CCCC2)c1,HETXYXLQYZFIEL-UHFFFAOYSA-N
-rxn:4:178597:224996,COc1nccc(-c2ccccc2)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,OJWKSKWALDBGMI-UHFFFAOYSA-N
-rxn:4:178597:228219,CC(C)c1cc(F)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,ROUAFXOLKURKDC-UHFFFAOYSA-N
-rxn:4:179270:223533,CC(=O)Cc1c(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1F,HGUPNDGDLGGGBA-UHFFFAOYSA-N
-rxn:4:180373:224316,CN1CCN(C(=O)c2cc(F)cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c2)CC1,LGNDLSMKYYBQMB-UHFFFAOYSA-N
-rxn:4:180792:224865,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CCN4CCCCC4)cc3)cc1C2=O,CGWIFTQOQJRWAL-UHFFFAOYSA-N
-rxn:4:180792:224885,CCOC1CCC2(CC1)Cc1ccc(-c3ccccc3CN3CCC(C)CC3)cc1C2=O,SXVNNBQIAPKEKB-UHFFFAOYSA-N
-rxn:4:180792:225174,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(F)cc3CN3CCOCC3)cc1C2=O,OZPUIWNNXFWGJI-UHFFFAOYSA-N
-rxn:4:181049:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c(F)c(F)c(F)c(F)c3C(F)(F)F)c2)CC1,CRDGNUUUECUWFI-UHFFFAOYSA-N
-rxn:4:182299:223838,CC(=O)c1cc2c(cc1-c1ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc1)OCCCO2,OOYCYSMOSKYABB-UHFFFAOYSA-N
-rxn:4:182359:223755,COC1CCC2(CC1)Oc1ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc1C2=O,ZHIWCTDMZOXSMP-UHFFFAOYSA-N
-rxn:4:182372:223712,COc1ccc(-c2ccc3c(c2)C(=O)[C@]2(CC[C@H](OC)CC2)C3)cc1C12CC3CC(CC(C3)C1)C2,VRFVIVDABZFQOB-FYKFBODXSA-N
-rxn:4:182376:223812,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3C2=O)C[C@@H]1C,OBRGPCCVAPEDAE-CAKCGFARSA-N
-rxn:4:182862:223520,CC(c1ccc(-c2cc3c(cc2F)CCC3=O)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,VLBNPWVDKDVMHK-UHFFFAOYSA-N
-rxn:4:183272:228426,COc1cc(Cl)cc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,AWNSIFFSXOMMCV-UHFFFAOYSA-N
-rxn:4:183273:223322,Cc1cc2[nH]ncc2cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MIVFIPXNDOMIJA-UHFFFAOYSA-N
-rxn:4:183273:227704,COc1cnc(C(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VEMFOAXDELLGQM-UHFFFAOYSA-N
-rxn:4:183274:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,PTHVUZHNJIRUAW-UHFFFAOYSA-N
-rxn:4:183379:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)c(C(F)(F)F)c1,GBKAIVSPHROUIM-UHFFFAOYSA-N
-rxn:4:183586:225313,COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])ccc(F)c1-c1ccc(N2CCN(C)CC2)nc1F,IIRCFBBOKVPOOD-UHFFFAOYSA-N
-rxn:4:183729:225553,CC(C)N(C)C(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)cc1,NXVIKBLIYHHPCD-UHFFFAOYSA-N
-rxn:4:183742:222439,O=C(CCCOc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc1)N1CCCC1,CRDUJGKWCSPJNV-UHFFFAOYSA-N
-rxn:4:183783:223577,CN(CCC(=O)OC(C)(C)C)c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,LBHQJNDQJRZKNG-UHFFFAOYSA-N
-rxn:4:183793:222603,COc1cc(-c2ccc(CCN(C)C(=O)OC(C)(C)C)cc2F)c(Cl)cc1NC(=O)OC(C)(C)C,WCAAEZFGPUAQMI-UHFFFAOYSA-N
-rxn:4:183793:223893,CCN1CCN(CCOc2cccc(-c3ccc(CCN(C)C(=O)OC(C)(C)C)cc3F)c2)CC1,KCDCZAABTSCTNZ-UHFFFAOYSA-N
-rxn:4:183797:222470,CCCCN(C(=O)c1ccc(-c2cccc(C(=O)NCc3ccc(OC)cc3)c2)o1)C1CCS(=O)(=O)C1,CTFHEOGVEBBFFM-UHFFFAOYSA-N
-rxn:4:183798:224881,COCCOc1cc(-c2cccc(CN3CCCCCC3)c2)ccc1C(=O)N1CCOCC1,SSBXZZLDEHJCKV-UHFFFAOYSA-N
-rxn:4:183826:222772,CC(C)(C)OC(=O)N(Cc1cccc(-c2ccc(Cl)c(C(=O)NC3CCCC3)c2)c1Cl)C1CC1,MHQKDFDTIVPLRF-UHFFFAOYSA-N
-rxn:4:183833:226725,C#Cc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,SRHIYADIULFFFY-UHFFFAOYSA-N
-rxn:4:183854:223608,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1)N(Cc1ccc(F)cc1)Cc1ccco1,NPKWBGAMQLYVIU-UHFFFAOYSA-N
-rxn:4:183861:224848,CC[C@H]1CC[C@H](c2ccc(-c3cccc(OCC4CCN(CC(=O)OC)CC4)c3)cc2)CC1,CIBCHCINQWARJI-HCGLCNNCSA-N
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-rxn:4:187489:225515,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cccc2c1OCC(C)(C)CO2,ZYSRJKGZLBECBD-UHFFFAOYSA-N
-rxn:4:187542:225199,COc1cc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc(OC)c1CN1CCC(C)CC1,FKUNROXQSPHSAM-UHFFFAOYSA-N
-rxn:4:187544:225197,COc1cc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)cc(OC)c1CN1CCCCC1C,QAZVVRFUBXJFRR-UHFFFAOYSA-N
-rxn:4:187592:222854,COc1ccc(C2CCCNC2)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,VWEAKPWLXORKEG-UHFFFAOYSA-N
-rxn:4:187598:222723,O=C(c1ccccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,ZRQIBAJAMKSCHM-UHFFFAOYSA-N
-rxn:4:187598:225830,Cc1nc(N2CCCCC2)ncc1-c1ccccc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1,NJJVKCZINWWSBD-UHFFFAOYSA-N
-rxn:4:187605:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)c4ccc(CN5CCCCC5)cc4)cc3F)c(F)c2)CC1,SBBOPBPOQUAANK-UHFFFAOYSA-N
-rxn:4:187656:225735,CCOc1cc(-c2cc(C)c(S(=O)(=O)N(CC)C3CCCCC3)cc2C)cc(Cl)c1OCC,ZTXOAWYDILJVNQ-UHFFFAOYSA-N
-rxn:4:187659:226123,COCc1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C1CC1,IOXPVUWBAAXVRV-UHFFFAOYSA-N
-rxn:4:187662:222978,Cc1cc(-c2ccc(C(=O)NC3CCC3)cc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,KHCHPWXVWZDNHI-UHFFFAOYSA-N
-rxn:4:187665:223580,COC(=O)c1ccc2c(c1)cc(-c1cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c1)n2C(=O)OC(C)(C)C,JCGLBJTZEUKZIG-UHFFFAOYSA-N
-rxn:4:187690:223583,COC(=O)c1ccc2c(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)cc3F)cn(C(=O)OC(C)(C)C)c2c1,VZXJTKIBLXCAEB-UHFFFAOYSA-N
-rxn:4:187695:225333,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(COCC(F)(F)F)c(F)c3)c2)CC1,QXYQMYUSXZPVEL-UHFFFAOYSA-N
-rxn:4:187879:224593,CC1CCN(Cc2cc(-c3ccc4c(c3)CCC(=O)N4CC(=O)OC(C)(C)C)ccc2F)CC1,QNJQXGNDCNRYQV-UHFFFAOYSA-N
-rxn:4:187916:225043,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(OC2CCCCC2)c(F)c1,SEOWNJNQJPRLHD-UHFFFAOYSA-N
-rxn:4:187916:225498,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C2CCCCC2)ccc1F,BIAJHWKCGRQPBJ-UHFFFAOYSA-N
-rxn:4:187917:225347,COc1ccc(-c2cnc(OC(C)C)c(C(F)(F)F)c2)c(C(=O)N2C3CCC2CC(SC)C3)c1,OOBFOCAJFBMXHM-UHFFFAOYSA-N
-rxn:4:187932:223787,CN1CCN(CCCOc2ccc(-c3ccc4cc(CO[Si](C)(C)C(C)(C)C)ncc4c3)cc2F)CC1,XDOZITGGSGNZHG-UHFFFAOYSA-N
-rxn:4:187948:224365,CCCCOc1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C(F)(F)F)c1F,VOSFJSVLLVUDQX-UHFFFAOYSA-N
-rxn:4:187961:222778,COC(=O)Cc1cc2c(n1-c1ccc(-c3cncc(CNC(=O)OC(C)(C)C)c3)cc1)CC(C)(C)CC2=O,RPNCVTKFLZBKSF-UHFFFAOYSA-N
-rxn:4:187961:224720,COC(=O)Cc1cc2c(n1-c1ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc1)CC(C)(C)CC2=O,IZDQOCZUBHCEEQ-UHFFFAOYSA-N
-rxn:4:187968:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1,VKONOLHFCHMNKY-UHFFFAOYSA-N
-rxn:4:188005:224440,COc1ccc(CN2C(=O)C3C(c4ccc(-c5cc(C)cc(OCc6ccccc6)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,NGGIPOVLCRKRGK-UHFFFAOYSA-N
-rxn:4:188675:222538,COc1cc(C(F)(F)F)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1[N+](=O)[O-],OHORSOUVGTZQLQ-UHFFFAOYSA-N
-rxn:4:188735:223540,COc1cc(OC)c([N+](=O)[O-])c(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c1,NCLWIWBXWAQVDN-UHFFFAOYSA-N
-rxn:4:189521:223785,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCC(OC)C4)o3)cc2Cl)CC1,CSISHAPTJMAVRF-UHFFFAOYSA-N
-rxn:4:189731:222724,O=C(c1cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc(C(F)(F)F)c1)N1CCCC1,OQXPOXPASHBUNY-UHFFFAOYSA-N
-rxn:4:189847:223687,CC(=O)N(c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1)C1C=CS(=O)(=O)C1,OQLBMLGTQKZLAD-UHFFFAOYSA-N
-rxn:4:189919:222584,O=[N+]([O-])c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1SC1CCCCC1,KKMBLOVNRNWOQB-UHFFFAOYSA-N
-rxn:4:189980:223995,COc1ccc(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1CN1CCOCC1,MQXPCUFGXSKMLP-UHFFFAOYSA-N
-rxn:4:190004:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1cc(F)ccc1CC(=O)N1CCCCC1,UNWULDCOMAXRAZ-UHFFFAOYSA-N
-rxn:4:190055:225355,COC(=O)c1ccc(-c2ccc(F)cc2CC(=O)N2CCC(F)(F)CC2)c(C(F)(F)F)c1,RFNJAAMIBDLJAM-UHFFFAOYSA-N
-rxn:4:190058:224061,CCCC1CCC(c2ccc(-c3cc(F)ccc3CC(=O)N3CCC(F)(F)CC3)c(F)c2)CC1,NQILPEGNQPUPOP-UHFFFAOYSA-N
-rxn:4:190084:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cccc(C(F)(F)F)c1C(=O)N1CCCC(F)(F)C1,GPTHPMDJUPKIJK-UHFFFAOYSA-N
-rxn:4:190104:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3nccc(C4CCCCC4)c3C(=O)OC)c(F)c2)CC1,WSWQPYYFLDLJGO-HZCBDIJESA-N
-rxn:4:190107:223872,CCN(C(=O)c1cccc(-c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1)C1CCCCC1,QHJMQABLWYNQAH-UHFFFAOYSA-N
-rxn:4:190144:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(F)cc2CCN2CCC(F)(F)CC2)CC1,BWGXCFGDFBQODS-UHFFFAOYSA-N
-rxn:4:190152:222823,CCC(C)N1C(=O)SC(=Cc2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3F)c2)C1=O,WNSFCRKZUPETBK-UHFFFAOYSA-N
-rxn:4:190187:222389,COc1cc(CN2CCCCC2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,IDMMHTKKFDUSQH-UHFFFAOYSA-N
-rxn:4:190288:225731,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2C(F)(F)F)c(OC)c1,XUOYDAKMQVHXGE-UHFFFAOYSA-N
-rxn:4:190298:224393,COc1ccccc1N1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)SC1=S,FEYSVGNWRJAAFW-UHFFFAOYSA-N
-rxn:4:190316:224179,CC1CCCCN1CCc1ccc(F)c(-c2ccc(OCCN3CCN(C)CC3)cc2)c1,MWYKKYRFKLFZFD-UHFFFAOYSA-N
-rxn:4:190322:223637,CCS(=O)(=O)N1CCC(c2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,HBNFGXGYFVWWCF-UHFFFAOYSA-N
-rxn:4:190324:222719,O=C(N1CCCCC1)C1(c2cccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)CC1,FPDHSDWBCNPWAA-UHFFFAOYSA-N
-rxn:4:190330:224744,CC(C)S(=O)(=O)N1CCCC1c1ccc(-c2cc(Cl)c(C(=O)OC(C)(C)C)cc2F)cc1,VZIVDQDWNWFOAV-UHFFFAOYSA-N
-rxn:4:190332:222584,CC(C)(C(=O)N1CCOCC1)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,ZSGDVCSNLZFKAK-UHFFFAOYSA-N
-rxn:4:190356:224063,CC1CCCN(c2cc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3C(F)(F)F)cc(C3CC3)c2)C1,YIQJWHCWYAEQIU-UHFFFAOYSA-N
-rxn:4:190392:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)c(F)c2)cc1,MJNFZICDILOSJQ-UHFFFAOYSA-N
-rxn:4:190410:223775,COc1ccc2c(c1)c(-c1ccc(C3CCN(C(=O)C(C)C)CC3)cc1)cn2C(=O)OC(C)(C)C,LBGPJBNDNVKCCP-UHFFFAOYSA-N
-rxn:4:190417:223926,O=S(=O)(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1)N1CCSC(c2ccco2)CC1,WKWNKWXHIARPCG-UHFFFAOYSA-N
-rxn:4:190447:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)c(C)c2)c(F)cc1C,OSRGWEUJKHACPL-UHFFFAOYSA-N
-rxn:4:190841:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc2c(cc1C(=O)c1ccc([N+](=O)[O-])cc1)OCCO2,YBVDDGOPDJSARN-UHFFFAOYSA-N
-rxn:4:190851:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2,KENLSJBRFHVMTP-UHFFFAOYSA-N
-rxn:4:190926:222751,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)cc1NC(=O)OC(C)(C)C,DALOJUWGGOYSKW-UHFFFAOYSA-N
-rxn:4:190957:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc3c2CCCN3C(=O)OC(C)(C)C)c1,SJHPPCWWXGRSSE-UHFFFAOYSA-N
-rxn:4:190959:224877,CC(C)(C)OC(=O)N1CCCc2sc(-c3ccc(COC4CCCCC4)cc3)cc2C1,PPFQIPHVQLYPHR-UHFFFAOYSA-N
-rxn:4:190972:223054,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)s1)N1CCC(O)C1,WLMQKDVTDWXGEL-UHFFFAOYSA-N
-rxn:4:190985:222902,COC(=O)CNC(=O)c1cccc(-c2cccc(C(=O)N3C4CCC3CC(OC)C4)c2)c1,JAVHTXPGNNRJRG-UHFFFAOYSA-N
-rxn:4:190988:224415,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)ccc2C1,OHWKJEHHSNDCAB-UHFFFAOYSA-N
-rxn:4:191032:225464,CC1CCCN(c2cccc(-c3cc4c(s3)C(C)(C)N(C(=O)OC(C)(C)C)CC4)c2)C1,WBYUJYBGZAEUNL-UHFFFAOYSA-N
-rxn:4:191041:223054,CC(c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)s1)N1CCC(O)C1,BDHFXZZYAKRJGM-UHFFFAOYSA-N
-rxn:4:191042:224847,CC(C)(C)OC(=O)N1CC2(Cc3ccc(-c4cc(C(C)(C)C)ccc4C(C)(C)C)cc3C2=O)C1,UVEULSWUHABKTG-UHFFFAOYSA-N
-rxn:4:191043:222894,CCCCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CN([C@H]2CC[C@H](C(=O)OC)CC2)C3=O)c1,PZZXWCBUPWPHHN-RXAXNXDRSA-N
-rxn:4:191043:226140,COc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)CN([C@H]1CC[C@H](C(=O)OC)CC1)C2=O,NMXZVRFBDUKQSU-CYWCHRQTSA-N
-rxn:4:191057:225499,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc(C4CCCCC4)cc3F)ccc2C2(CC2)C1,UPVCVXXDROJHRD-UHFFFAOYSA-N
-rxn:4:191058:225537,CCN(CC)Cc1ccc(F)c(-c2ccc3c(c2)CCC3N2CCC(C(=O)OC)CC2)c1,LFWFPCILRYEEFZ-UHFFFAOYSA-N
-rxn:4:191062:227131,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(C2CCOC2)c1,FNORMSCXECFVTO-UHFFFAOYSA-N
-rxn:4:191062:227432,Cc1nc(C2COC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,ZTUGZNBNQSWLGT-UHFFFAOYSA-N
-rxn:4:191067:222853,O=S(=O)(c1ccc2c(c1)CCO2)N1CCSC1c1ccc(F)c(-c2ccc(CN3CCC(O)CC3)cc2)c1,HCNPLAXMQNWNBL-UHFFFAOYSA-N
-rxn:4:191089:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c1,PLLCDVZLJGPOGK-UHFFFAOYSA-N
-rxn:4:191090:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1,KBXPJKYWZDUAMO-UHFFFAOYSA-N
-rxn:4:191103:223863,CC(C)COc1ccc(-c2ccc(-c3ccc4c(c3)C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,DPTPPQSIYDGYQY-UHFFFAOYSA-N
-rxn:4:191103:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,QEYXYNRJWBYXNE-UHFFFAOYSA-N
-rxn:4:191103:227069,COc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(C(C)C)c1,OQHDUGYMGIBVPV-UHFFFAOYSA-N
-rxn:4:191103:227259,COc1ccc(CSC)cc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,BWIPZMKXJBPXQU-UHFFFAOYSA-N
-rxn:4:191104:227071,COCc1cc(C)c(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)c(C)c1,BVVZCRGXWYKMKQ-UHFFFAOYSA-N
-rxn:4:191105:223080,CC(C)NS(=O)(=O)c1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,BBAHQWIDMRZURU-UHFFFAOYSA-N
-rxn:4:191125:227348,COc1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OC,HBIRIBJQZJMGQP-UHFFFAOYSA-N
-rxn:4:191127:223215,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc4c(c3)NC(=O)CC4)cc1O2,NYCBMESTDHMELY-UHFFFAOYSA-N
-rxn:4:191139:223590,CCOC(=O)c1nc2c(s1)CCOc1ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cc1-2,CUZOOOCDFKEZCH-UHFFFAOYSA-N
-rxn:4:191171:223167,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4ccnc(N5CCNCC5)c4)cc1c32,MRFWLCXVEVVUGZ-UHFFFAOYSA-N
-rxn:4:191194:223771,COc1ccc2c(c1)cc(-c1ccc3c4c(cccc14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O)n2C(=O)OC(C)(C)C,VROHWRJXQXYEIH-UHFFFAOYSA-N
-rxn:4:191195:224943,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(OCc3ccccc3)nc1)c1c2CCC1,ZWAGDBUDGNLLKC-UHFFFAOYSA-N
-rxn:4:191195:225454,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C3=CCN(C)CC3)cc1)c1c2CCC1,UUJXRYUGPXFBED-UHFFFAOYSA-N
-rxn:4:191195:227898,CC(C)Cc1cncc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,YQHAYAXGQBLITB-UHFFFAOYSA-N
-rxn:4:191519:223542,COC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cnc1F,VLBBOBZXXSROQP-UHFFFAOYSA-N
-rxn:4:192219:223699,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)o1)N1CCSC1,BGVUBBHRBKUFOF-UHFFFAOYSA-N
-rxn:4:192323:223489,COc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cnc1C1CC1,FIDOZSYJUFRCMX-UHFFFAOYSA-N
-rxn:4:193354:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C=NC2CCS(=O)(=O)C2)cc1,NAGNZTGPWRRXJX-UHFFFAOYSA-N
-rxn:4:193518:224959,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(OCC3CCCCO3)cc2)cc1,VFRREFHSRAJDHD-UHFFFAOYSA-N
-rxn:4:193555:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=N)(=O)C4CCOCC4)c3)cc2)CC1,JAFFGDLGUPNEPQ-UHFFFAOYSA-N
-rxn:4:193574:223814,Fc1cc(CN2CCC3(CC2)OCCO3)ccc1-c1ccc(CN2CCC(F)(F)CC2)cc1,AZXNFTCALQDMLY-UHFFFAOYSA-N
-rxn:4:193627:222724,O=S1(=O)CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,NEIUVRODKGXNDY-UHFFFAOYSA-N
-rxn:4:193681:223712,COc1ccc(-c2ccc(Cl)c(OC3CCN(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,QCGSGZJMJPVIAW-UHFFFAOYSA-N
-rxn:4:193866:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2Cl)CC1,CRGVASYWGBAIRI-UHFFFAOYSA-N
-rxn:4:193893:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(CN3CC(C)OC(C)C3)cc2)c1F,HQLOYJIWDMUOHN-UHFFFAOYSA-N
-rxn:4:193973:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,LPQQOICRXQMISK-UHFFFAOYSA-N
-rxn:4:193976:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1,VJMICXKDGYWJNT-UHFFFAOYSA-N
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-rxn:4:202273:223041,O=C(NC1CC1)c1ccc(F)c(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)c1,BDFGMJPFIGYUFU-UHFFFAOYSA-N
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-rxn:4:202322:223435,COC(=O)c1ccc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCCC3)c2)[nH]1,OFGOJHVRUSXPLS-UHFFFAOYSA-N
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-rxn:4:202457:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(C(F)F)c2cnn(C(=O)OC(C)(C)C)c2c1,NAKJDNHPEVEZAB-UHFFFAOYSA-N
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-rxn:4:202700:224703,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cc(C3CCCC3)cc(C(F)(F)F)c2)cc1,YCXBIAYCQPSFBB-UHFFFAOYSA-N
-rxn:4:202703:226417,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(Cl)cc(N4CCCC4)c3)ccc21,BSOKNHCJMCAMLH-UHFFFAOYSA-N
-rxn:4:202708:228191,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cnc(N(C)C)c(C)c3)ccc21,WQOHCVFSOFFQCH-UHFFFAOYSA-N
-rxn:4:202734:224757,O=C(c1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)c1)N1CCOCC1,MWMGTFCTPGTPOG-UHFFFAOYSA-N
-rxn:4:202756:222640,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3cccc(C(=O)NCc4cccnc4)c3)ccc21,HXMRUUQRIYPRLX-UHFFFAOYSA-N
-rxn:4:202778:222880,CCn1c2c(c3cc(-c4cc(Cl)ccc4NC(=O)C(C)(C)C)ccc31)CN(C(=O)OC(C)(C)C)CC2,KHQANOOTJBTDRO-UHFFFAOYSA-N
-rxn:4:202807:224127,CCN1CCN(C(C)c2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,NJMQAYXELGJTAM-UHFFFAOYSA-N
-rxn:4:202807:224182,Cc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)ccc1OCCN1CCOCC1,AVTNSMACVSJQMA-UHFFFAOYSA-N
-rxn:4:202811:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccnc1OC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,OVAPFYPCNBOPAW-UHFFFAOYSA-N
-rxn:4:203004:223562,CCn1ncc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C(=O)OC,BPOGWXLSWXPYFM-UHFFFAOYSA-N
-rxn:4:203152:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nccn3C(=O)OC(C)(C)C)cc21,KYFGKWHGABHLNG-UHFFFAOYSA-N
-rxn:4:203531:223845,CSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,MRWQCVUSYZWFDU-UHFFFAOYSA-N
-rxn:4:203566:222630,COC(=O)c1[nH]c(C2CCOCC2)nc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,FJJGOJVTFJTQLP-UHFFFAOYSA-N
-rxn:4:203639:223786,CN1CCN(CCCOc2ccc(-c3ccc(S(=O)(=O)NN4CCSCC4)cc3)cc2Cl)CC1,MSUFARAIMXQPKX-UHFFFAOYSA-N
-rxn:4:203644:223945,CS(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(OCCCN3CCOCC3)c(F)c2)C1,HTLANYPVDHUYTL-UHFFFAOYSA-N
-rxn:4:203675:223812,O=C(c1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc([N+](=O)[O-])c1)N1CCCCC1,HITFEIPTJVBIHX-UHFFFAOYSA-N
-rxn:4:203694:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc(C#N)c(N3CCC(C(F)(F)F)CC3)c2)c1,UJAPUJTXHUGLKW-UHFFFAOYSA-N
-rxn:4:203731:222723,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)o1)N1CC(N2CCCC2)C1,SYBXBYFWDZVXCL-UHFFFAOYSA-N
-rxn:4:203756:225743,COC(=O)Cc1ccc(OC)c(-c2cncc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c2)c1,RQBUPYQDXLJZHF-UHFFFAOYSA-N
-rxn:4:203760:225784,O=[N+]([O-])c1cc(F)c(-c2ccc(CN3CCOCC3)nc2)cc1N1CCC(C(F)(F)F)CC1,YIRBCLHQPOUEEC-UHFFFAOYSA-N
-rxn:4:203825:223812,CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)CC1,YOBXYNNFTSCHSC-UHFFFAOYSA-N
-rxn:4:203880:222694,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)n2)C1,OMNCFDADCHYRJY-UHFFFAOYSA-N
-rxn:4:203885:222693,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2)CC1,VDWWMAZVIAWBBT-UHFFFAOYSA-N
-rxn:4:203889:222803,COC(=O)c1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1N1CCN(C)CC1,HKTDKTCOSNYSFU-UHFFFAOYSA-N
-rxn:4:203952:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(CC3CCCN(C(C)=O)CC3)c2)CC1,PPMRKAKENMDMEH-UHFFFAOYSA-N
-rxn:4:204016:222723,CS(=O)(=O)N1CCCC(Cc2cncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)CC1,BJUMCVSXOXUBOK-UHFFFAOYSA-N
-rxn:4:204028:223891,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,IJYSOXRJFVXPFN-FQEVSTJZSA-N
-rxn:4:204037:224650,CN(C)C1CCN(c2ccc(C(F)(F)F)c(-c3cc(F)ccc3OCC3CCOCC3)c2)CC1,RJPWMUURGHSPKE-UHFFFAOYSA-N
-rxn:4:204044:223841,Cc1cc(F)c(-c2ccccc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCN(C)CC1,QDZLSFCVTIGCQQ-UHFFFAOYSA-N
-rxn:4:204054:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCN(C5CCOC5)CC4)o3)cc2F)CC1,WDSHDTLXNCOGJC-UHFFFAOYSA-N
-rxn:4:204094:223840,COc1ccc(-c2cc(C)cc(CN3CCN(C(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,WUPCRSWHEPVQDW-UHFFFAOYSA-N
-rxn:4:204096:224566,COC(=O)C1(c2ccc(-c3cccc(C(C)N4CCN(C(C)C)CC4)c3)cc2)CCCC1,AZNBCWKQVWMNAQ-UHFFFAOYSA-N
-rxn:4:204134:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,WYRRGNPLHTUOQC-UHFFFAOYSA-N
-rxn:4:204150:222828,O=C(c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c1)N1CCCN(C2CCSCC2)CC1,KFAMVDHAORRFBI-UHFFFAOYSA-N
-rxn:4:204352:222603,CCOC(=O)c1nn2c(c1-c1cc(OC)c(NC(=O)OC(C)(C)C)cc1Cl)OCCC2,SULVPHRPBDVDNK-UHFFFAOYSA-N
-rxn:4:204403:223637,COCn1ncc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)c1C12CCCC1O2,JTMLALHRYINEQW-UHFFFAOYSA-N
-rxn:4:204509:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3nc4c(s3)CCN(C(=O)OC(C)(C)C)C4)ccc2F)CC1,NRPYVCDJRHKUQK-UHFFFAOYSA-N
-rxn:4:204514:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1,DAKVBXNTPZFVMR-INIZCTEOSA-N
-rxn:4:204551:224886,COC(=O)C1C2CCC1CN(c1nc(-c3ccc(CN4CCC(C)CC4)cc3)cs1)C2,VXLUCWLFXMBMNV-UHFFFAOYSA-N
-rxn:4:204557:222699,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cnc21,MCACXEIKYBQLCW-UHFFFAOYSA-N
-rxn:4:204572:224421,CC(C)c1cc(C(C)C)c(-c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)c(C(C)C)c1,OZKACOBYFLAGKN-UHFFFAOYSA-N
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-rxn:4:204599:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,IBEIYQUWBLEBAL-UHFFFAOYSA-N
-rxn:4:204683:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,HUUYBBXLBCHDQM-UHFFFAOYSA-N
-rxn:4:204744:225977,O=C(c1ccccc1-c1cc(Cl)cnc1N1CCOCC1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,OYTSBDVSTDGJLR-UHFFFAOYSA-N
-rxn:4:204764:223047,O=C(NC1CC1)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)c1,GILIWDSZBPUECB-UHFFFAOYSA-N
-rxn:4:204836:225553,CC(C)N(C)C(=O)c1ccc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)c2)cc1,IAYYFCCQUHDQPC-UHFFFAOYSA-N
-rxn:4:204884:222895,CCCCS(=O)(=O)Nc1ccc(-c2nc3c(s2)C2CCC(C3)N2C(=O)OC(C)(C)C)cc1,IECWJBIWTKJPQN-UHFFFAOYSA-N
-rxn:4:204944:222637,CC(C)c1ccc(C2Oc3ccc(-c4ccc(C(C)NC(=O)OC(C)(C)C)cc4)cc3C3CC(c4ccco4)=NN32)cc1,GQVLMTUVOJHISD-UHFFFAOYSA-N
-rxn:4:204946:222859,Cc1ccc(N2C(=O)N(C(=O)c3ccc(-c4ccc(C(=O)NCCN(C)C)cc4)o3)C3CC2(C)Oc2ccccc23)cc1,LHYQRFPCCFEIST-UHFFFAOYSA-N
-rxn:4:204949:223522,COc1ccc(C2=NN3C(C2)c2ccccc2OC3(C)c2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2)cc1,IEESXANEZVYBIN-UHFFFAOYSA-N
-rxn:4:205737:222514,COc1ccc(-c2cc(S(N)(=O)=O)ccc2S(N)(=O)=O)cc1S(=O)(=O)NC1CCCCC1,XWOGWEWFPQXESA-UHFFFAOYSA-N
-rxn:4:206436:222584,O=C(c1cnc(Cl)c(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCOCC1,BISHXMGREFBRNS-UHFFFAOYSA-N
-rxn:4:206439:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(F)c(C(=O)N4CCOCC4)c3)c(F)c2)CC1,JTDYPPYAUSGNPP-MXVIHJGJSA-N
-rxn:4:206487:223542,CCc1nc(N2CCOCC2)sc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,BJSKJJXXLNDRAN-UHFFFAOYSA-N
-rxn:4:206489:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cn(C4CCCCO4)c(OC)n3)c(F)c2)CC1,WOCBXPNAWAPWIL-YYSPQECZSA-N
-rxn:4:206601:223813,COc1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1N1CCOCC1,BOUSZANAJAWEGZ-UHFFFAOYSA-N
-rxn:4:206698:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(CN4CCC(F)(F)CC4)n3)c2)CC1,XVDPLKVPJNDQAS-UHFFFAOYSA-N
-rxn:4:206963:222724,CS(=O)(=O)N1CCN(c2ccccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,XCFQKSKDFFCTSH-UHFFFAOYSA-N
-rxn:4:207092:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3=NC(C)(C)CO3)ccc2C2=NC(C)(C)CO2)cc1,MSVKZMMMMAUYRX-UHFFFAOYSA-N
-rxn:4:207589:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(C(=O)N2C3C=CCC2CC3)c1,NILZFPLAGVOWEW-UHFFFAOYSA-N
-rxn:4:207623:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OC2CN3CCC2CC3)nc1,QQBMYRWCCGUMFT-UHFFFAOYSA-N
-rxn:4:207669:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(n1)OCCN2C(=O)C(C)(C)C,WVWJROFKXBAHJG-UHFFFAOYSA-N
-rxn:4:207779:222923,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)NC1CC1,PEVSXUCGRHFZHH-UHFFFAOYSA-N
-rxn:4:207779:225805,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)s1)N1CCOCC1,DQBYDAXAJYCTDT-UHFFFAOYSA-N
-rxn:4:207946:225215,COc1cc(-c2ccnc(N3CCC(C)CC3)c2Cl)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,DTWGPYDCDWMQSA-UHFFFAOYSA-N
-rxn:4:207959:226321,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(SC5CCCC5)nc4)ccc2OC3C2CCCCC2)cc1,RAQMWCCCFNRDJX-UHFFFAOYSA-N
-rxn:4:207965:226324,COc1ccc(C2=NN3C(C2)c2cc(-c4cccnc4OC4CCCC4)ccc2OC32CCC(C)CC2)cc1,PIVUHIZJRNKLMZ-UHFFFAOYSA-N
-rxn:4:207965:227284,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C#N)ncc4C4CC4)ccc2OC32CCC(C)CC2)cc1,ALUGGRWATVVANW-UHFFFAOYSA-N
-rxn:4:209876:222466,CN1CCN(c2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc(F)c2F)CC1,ICLANNZJYCEFPJ-UHFFFAOYSA-N
-rxn:4:211089:223639,N#CC1=C2CCCCCN2c2cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)ccc2S1(=O)=O,AGBNTMBVSNKLKR-UHFFFAOYSA-N
-rxn:4:211101:222986,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nc(C5CCCNC5)c4)ccc2OC32CCC(C)CC2)cc1,CIIXPOGWKBKLIZ-UHFFFAOYSA-N
-rxn:4:211101:223139,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCNCC5)nc4)ccc2OC32CCC(C)CC2)cc1,NBZJEWKGWDGHPP-UHFFFAOYSA-N
-rxn:4:211101:224392,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4C)ccc2OC32CCC(C)CC2)cc1,LTEZZXSJEMLEKA-UHFFFAOYSA-N
-rxn:4:211101:225600,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccnc4OC4CCCCC4)ccc2OC32CCC(C)CC2)cc1,GMNVNDYNITURGZ-UHFFFAOYSA-N
-rxn:4:211101:226371,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCC5)cc4C)ccc2OC32CCC(C)CC2)cc1,RPXNGRYSTHTZKI-UHFFFAOYSA-N
-rxn:4:212526:222588,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)CC1,INRONTVAJXVRPF-UHFFFAOYSA-N
-rxn:4:212539:224848,CCN(Cc1c(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cnn1C)C(=O)OC(C)(C)C,SZXAKHKXPFUOKV-MXVIHJGJSA-N
-rxn:4:212542:223951,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cn2)C1,AKOPJFUIJJPCFF-UHFFFAOYSA-N
-rxn:4:212556:224399,O=C(CSc1ccc(F)cc1)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cn2)C1,SMJMZVRBDHDDNX-UHFFFAOYSA-N
-rxn:4:212584:223072,CCCNS(=O)(=O)c1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,JMVJUKNTUBRATG-UHFFFAOYSA-N
-rxn:4:212587:223969,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(C(F)(F)F)ccc4N4CCC(C)CC4)cn3)C2)cc1,PWXUPOAPYQHCMA-UHFFFAOYSA-N
-rxn:4:212598:222742,COc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)C2)cc1,OOGKEONTEBVZMY-UHFFFAOYSA-N
-rxn:4:212607:226116,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(OCC4CC4)c(C)c3)cn2)CC1,XVZRNELMUCNIAL-UHFFFAOYSA-N
-rxn:4:212619:225867,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCCCC4)c3)cn2)C1,BMRVVSLGWWCDRQ-UHFFFAOYSA-N
-rxn:4:212628:226127,CCOc1ccc(C(C)C)cc1-c1cnc(OC2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1,KFPYDXZLQFONMJ-UHFFFAOYSA-N
-rxn:4:212630:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(COc5ncccc5C(F)(F)F)C4)c3)c2)CC1,BDIGMWYMQFJIBL-UHFFFAOYSA-N
-rxn:4:212631:226118,CCC(C)Oc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)cc1C,KDXMGNNKKNQQAD-UHFFFAOYSA-N
-rxn:4:212653:226859,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(OC(F)(F)F)cc2Cl)n1,GSUXQXWJYFASBN-UHFFFAOYSA-N
-rxn:4:212657:222723,COc1ccccc1CN1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,CGVQARBCJHKRKJ-UHFFFAOYSA-N
-rxn:4:212694:222431,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3)CC2)C1=O,FBZDFAIXYNZPTQ-UHFFFAOYSA-N
-rxn:4:212739:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,SNGIMVHCJAHNSZ-UHFFFAOYSA-N
-rxn:4:212765:225145,N#Cc1cc(-c2ccc(OC(F)F)c(CCC(=O)N3CCc4ncncc4C3)c2)ccc1N1CCOCC1,WHHKEISSWFLATE-UHFFFAOYSA-N
-rxn:4:212771:225978,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccc(N4CCOCC4)nc3F)cc2s1,LOGSIQBSIJLFKI-UHFFFAOYSA-N
-rxn:4:212782:225122,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2cncc(O[Si](C)(C)C(C)(C)C)c2)sc2cc(S(N)(=O)=O)ccc21,HFJIDOOSIBGSSW-UHFFFAOYSA-N
-rxn:4:212800:224365,CCCCOc1cc(-c2ccc(C(=O)N(CCN(C)C)c3nc4c(C)c(C)ccc4s3)cc2)cc(C(F)(F)F)c1F,LEQKJYTXBYRYOX-UHFFFAOYSA-N
-rxn:4:212819:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(-c3cnc(SCC(=O)N4CCc5ccccc54)n3-c3ccc(Cl)cc3)cc2)cc([N+](=O)[O-])c1,XMZZPJNWZMYKEF-UHFFFAOYSA-N
-rxn:4:212822:222502,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccc(CNC(=O)c6cc(F)ccc6F)cc5)cc43)CC2)cc1,MAFLOPZGTZHEDY-UHFFFAOYSA-N
-rxn:4:212906:224325,CC(C)(C)OC(=O)N1CC(Oc2cncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)n2)C1,PZSVSFZHTULYDC-UHFFFAOYSA-N
-rxn:4:212917:222466,COC(=O)CN1CCC(Cn2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,CEJLJCZBIHQCBD-UHFFFAOYSA-N
-rxn:4:212917:224571,COC(=O)CN1CCC(Cn2cc(-c3ccc(N4CCN(C(C)C)CC4)cc3)cn2)CC1,SHIUQYKVVVVRGG-UHFFFAOYSA-N
-rxn:4:212918:224371,COC(=O)C1CCN(c2ncc(-c3cnn(CC4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,ZZGDHNQQTPPUHS-UHFFFAOYSA-N
-rxn:4:212926:224022,O=C(Cc1ccc(F)cc1F)N1CC(Cn2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cn2)C1,JGTDLILJROKYQF-UHFFFAOYSA-N
-rxn:4:212938:224196,CCC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cn2)C1,SMJGXLYIKBTTAT-UHFFFAOYSA-N
-rxn:4:212938:224789,CCCOc1cc(OC(F)(F)F)cc(-c2cnc(OCC3CCCN(C(=O)CC)C3)nc2)c1,JSPXTIOSIWJPTE-UHFFFAOYSA-N
-rxn:4:212963:225163,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccccc3C(=O)N3CCOCC3)n2)C1,QVLFVZSCODGSQC-UHFFFAOYSA-N
-rxn:4:212968:225893,COCCOc1c(Cl)ccc(-c2cnc(OCC3CCCN(C(=O)C4CC4)C3)nc2)c1F,DFQYXLCVGUXHEB-UHFFFAOYSA-N
-rxn:4:212970:222438,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1Cl,VPPCBSVPRDIVEW-UHFFFAOYSA-N
-rxn:4:212978:223606,COc1ccc(F)cc1S(=O)(=O)N1CC(Cn2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,ZDQODCDSYUHSTD-UHFFFAOYSA-N
-rxn:4:213002:227468,CCN(CC)c1ncc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)cn1,QPJKOMCQLWHRAE-UHFFFAOYSA-N
-rxn:4:213012:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)CC(C)C)CC3)nc2)cc1,KZSDQAVPRMMDKV-UHFFFAOYSA-N
-rxn:4:213031:224691,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)cn2)C1,HEORFEBVEDYOSP-UHFFFAOYSA-N
-rxn:4:213042:225163,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3ccccc3C(=O)N3CCOCC3)cn2)C1,BHVQAZTZZMYHDJ-UHFFFAOYSA-N
-rxn:4:213046:225539,CCN(CC)Cc1c(F)cccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1C,IHMCMQFVLHKFDN-UHFFFAOYSA-N
-rxn:4:213053:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)CC1,AGZFBFMTHHGKKH-UHFFFAOYSA-N
-rxn:4:213070:225056,CC1CCCN(c2ccc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)C1,ABQLKVCXDTWXDV-UHFFFAOYSA-N
-rxn:4:213075:225760,CCN(C)C(=O)c1ccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(F)c1,DWLXYDLFMAWLAU-UHFFFAOYSA-N
-rxn:4:213132:225313,CN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)c(F)n2)CC1,HRCXGMAGLFWSAT-UHFFFAOYSA-N
-rxn:4:213134:222684,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,APIZVRBFCOPOJA-UHFFFAOYSA-N
-rxn:4:213134:224592,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,GOTUKGYGENTBTB-UHFFFAOYSA-N
-rxn:4:213137:227103,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1sccc1C1CCCCC1,QRJCKMBGHSFFCA-UHFFFAOYSA-N
-rxn:4:213171:225213,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2ccc(N3CCN(C)CC3)cc2Cl)CC1,LXJKIJPWSPQOAK-UHFFFAOYSA-N
-rxn:4:213205:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(COc3ncc(C)cn3)C2)cc1,NSRQCTZQXKHKFC-UHFFFAOYSA-N
-rxn:4:213215:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)ccc1F,LHUYEPDGDSFYLW-UHFFFAOYSA-N
-rxn:4:213220:224583,CC1CN(c2ccc(-c3cc(-c4ccncn4)cc(C4CC4)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,HPVXJFVRGZZZOD-UHFFFAOYSA-N
-rxn:4:213225:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)cc1,IYLPTKYRWFCUAC-DEOSSOPVSA-N
-rxn:4:213260:225429,Cc1ccc(OCCC(C)C)c(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)c1,HGXMXXAYZAVNIE-UHFFFAOYSA-N
-rxn:4:213268:226661,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,LYTHWILBSJIPSI-CYFREDJKSA-N
-rxn:4:213269:223049,COc1ccc(-c2ccc(C(=O)NC3CC3)cc2F)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,WFBCGOKJMIVDAV-UHFFFAOYSA-N
-rxn:4:213269:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(OC)cc3C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)CC1,QOXWIEWDMLXQRF-UHFFFAOYSA-N
-rxn:4:213272:224061,CCCC1CCC(c2ccc(-c3ccc(OC4CCN(C(=O)c5ccc(N6CCOCC6)cc5)C4)nc3)c(F)c2)CC1,SEHCKVPBMQEXDB-UHFFFAOYSA-N
-rxn:4:213281:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,AHPPXVNEPODNOP-UHFFFAOYSA-N
-rxn:4:213281:225505,CCCCn1ncc2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc21,DTOHXHGCGDCYEY-UHFFFAOYSA-N
-rxn:4:213281:226785,Cc1cnn(-c2ncc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cn2)c1,HZAGXAPNFUVLRB-UHFFFAOYSA-N
-rxn:4:213337:222634,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3s2)CC1,OKOQWGNHDPNOOY-UHFFFAOYSA-N
-rxn:4:213388:224666,CN1CCN(Cc2cc(-c3ccnc4c3ccn4CC3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,XSUIMUBQRDASIZ-UHFFFAOYSA-N
-rxn:4:213407:225891,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5cnc(C(OC)OC)c(OC)c5)cc4s3)CC2)cc1,POIIZRDXUIVVEQ-UHFFFAOYSA-N
-rxn:4:213414:223671,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2[nH]1,MDCCGYNHECYJPY-UHFFFAOYSA-N
-rxn:4:213449:224719,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)cc3c2-c2ccccc2)=NN1C(C)=O,UONQUUXADHCKON-UHFFFAOYSA-N
-rxn:4:213458:223279,COc1ccc(-c2cnc(C3CCCN3)nc2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,FOIRZPYQNVJIFA-IHFZQIOASA-N
-rxn:4:213471:222690,O=C(Nc1ccccn1)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)c1,OXFQVWYSDXOUFD-UHFFFAOYSA-N
-rxn:4:213475:225925,COc1cc(-c2cc(S(=O)(=O)N(C)C)ccc2C)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,CWMUUUVYETYNOW-MCHKMMHZSA-N
-rxn:4:213480:223048,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C(=O)NC5CC5)c4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,VNRAFKPWJTYHQQ-AVSRAWEBSA-N
-rxn:4:213480:223059,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCNCC5)cc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YZUQHEYQXKIVJD-CPPXEKLYSA-N
-rxn:4:213480:223917,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)N(C)C5CCCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OTMBCFICRYSDQN-KPOKQVIPSA-N
-rxn:4:213480:224496,CCN1CCN(Cc2cccc(-c3cncc(C(=O)OC[C@H]4CN(C)[C@@H]5Cc6c[nH]c7cccc(c67)[C@@]5(OC)C4)c3)c2)CC1,GMTDWTJITZCFNH-FCXOZWAYSA-N
-rxn:4:213481:222999,COC12CC(COC(=O)c3cncc(-c4cc(Cl)cc(C5CCCNC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,NWLPLEDTASXEES-UHFFFAOYSA-N
-rxn:4:213481:225878,COC12CC(COC(=O)c3cncc(-c4cc(Cl)cc(N5CCOCC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,TUODPOHJBHGMML-UHFFFAOYSA-N
-rxn:4:213481:226659,COC12CC(COC(=O)c3cncc(-c4cnc(N5CCCC5)c(Cl)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,HNYHTIPPPMVAKP-UHFFFAOYSA-N
-rxn:4:213580:224170,FC(F)CN1CCC(Cn2cc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cn2)C1,IXEYXFCTTOTNAP-UHFFFAOYSA-N
-rxn:4:213617:223972,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3CCC(Oc4nncs4)CC3)o2)c(C(F)(F)F)c1,TUSWQLWRSHJZMT-UHFFFAOYSA-N
-rxn:4:213653:222911,COC(=O)c1cc(NC(C)=O)cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1,RHAAXSFSWDENAY-UHFFFAOYSA-N
-rxn:4:213653:226279,Cc1cnc(OCC(C)C)c(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1,YYFYWGATSVRJQZ-UHFFFAOYSA-N
-rxn:4:213653:226500,CC(C)COc1ncc(Cl)cc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,WOKXEYAKLJRNJA-UHFFFAOYSA-N
-rxn:4:213661:222584,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,DSMNRBBIBYQFAJ-UHFFFAOYSA-N
-rxn:4:213692:226844,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,VENSXQKHDDNXET-UHFFFAOYSA-N
-rxn:4:213716:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)C)CC3)c2)cc1,SCQPEUIGYZNXOQ-UHFFFAOYSA-N
-rxn:4:213761:224960,COc1ccc(-c2cnn(CC3CN(C(=O)C4CC=CCC4)C3)c2)cc1OC1CCCC1,BOPSFNQVCJRNTL-UHFFFAOYSA-N
-rxn:4:213794:222854,COc1ccc(C2CCCNC2)cc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,KXXKZPXHRUYRPZ-UHFFFAOYSA-N
-rxn:4:213803:225877,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(Cl)cc2N2CCOCC2)cn1,BBSRDPVYWPCOIH-UHFFFAOYSA-N
-rxn:4:213822:222524,Cc1nccc(OC2CCN(C(=O)c3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)ccc3Cl)C2)n1,GWPNWKBTOHXGQB-UHFFFAOYSA-N
-rxn:4:213832:222581,CC(C)NS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc12,GNRMQCUSJOIDAK-UHFFFAOYSA-N
-rxn:4:213883:225221,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cc(N2CCCC(C)C2)ncc1F,HGRSTVNQZBYJIT-UHFFFAOYSA-N
-rxn:4:213893:223885,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)CC1,WPQIFKXZEGDIEH-UHFFFAOYSA-N
-rxn:4:213894:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,MTBLIIXOGIQYSD-UHFFFAOYSA-N
-rxn:4:213909:223528,Cc1oncc1CN1CCN(C(=O)c2cccc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,XAGKXQJLDWNIPC-UHFFFAOYSA-N
-rxn:4:213927:224690,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(CN5CCC(=O)CC5)cc4F)o3)CC2)nc(C)n1,KBSKRYMQUJCKIO-UHFFFAOYSA-N
-rxn:4:213931:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCC2)C1,JRHRNRCGZUUNRE-UHFFFAOYSA-N
-rxn:4:213945:223035,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2cccnc2NC(=O)C(C)(C)C)c1,VXZAXAUMBHXNMV-UHFFFAOYSA-N
-rxn:4:213968:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)c3cc(C)ccc3C)C2)nc1,MKWPVLMAMYWUQM-UHFFFAOYSA-N
-rxn:4:213969:225986,O=C(c1ccc(-c2ccccc2N2CCCS2(=O)=O)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,CXNWRJZVEYXEPA-UHFFFAOYSA-N
-rxn:4:213971:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)ccn2)CC1,ZRBCHEAAQOXLSS-UHFFFAOYSA-N
-rxn:4:213971:229167,CN(C)c1nc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cs1,YGYMLJZTPHVGEE-UHFFFAOYSA-N
-rxn:4:213974:225759,CCN(C)C(=O)c1ccc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)cc1F,OWNVIGSISXQXQU-UHFFFAOYSA-N
-rxn:4:213978:222497,CN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(NC(=O)OCc4ccccc4)c(Cl)c3)n2)CC1,VGYXKDIDQGRTJQ-UHFFFAOYSA-N
-rxn:4:213979:226533,CCOC(=O)c1cc(F)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2C)nn1,UKNZSKZNAIPDAW-UHFFFAOYSA-N
-rxn:4:214012:224163,Cc1c(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)ccc2c1cnn2C1CCCCO1,DBDPZWDYYYQNDN-UHFFFAOYSA-N
-rxn:4:214026:225544,COc1ccc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1OCC(C)C,FQFSHGUQWGFEAN-UHFFFAOYSA-N
-rxn:4:214033:222665,CC(C)[C@H]1COC(c2cc(-c3cccc(C(=O)Nc4cccc(F)c4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,MWNHGSNQKSRASF-KAYWLYCHSA-N
-rxn:4:214033:226143,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc(C)c1OC(C)C,GERNFVJCNLSUMU-JWQCQUIFSA-N
-rxn:4:214033:227860,CC(C)[C@H]1COC(c2cc(-c3ccc4c(c3)CCN4C)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,MEYVTLKVSHHLLA-DHIUTWEWSA-N
-rxn:4:214051:224985,CC(C)c1sc(-c2ccc(C3CC3)c(-n3cccn3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,DCASQKHXDUZKOD-UHFFFAOYSA-N
-rxn:4:214066:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc(N4C(=O)CC(N5CCN(C(=O)c6ccccc6)CC5)C4=O)c3)c2)CC1,SVXMJSDMJRVIEA-UHFFFAOYSA-N
-rxn:4:214153:224950,COc1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c(CN2CCCC2)c1,BNIHDWKNFSNTRZ-GOSISDBHSA-N
-rxn:4:214153:225634,Cc1cc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cnc1N1CCCCC1,LNJOJEBNNPNSPX-GOSISDBHSA-N
-rxn:4:214181:222462,CCCC(=O)N1CCN(c2nc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3s2)CC1,OIAQLFQTCXREDD-UHFFFAOYSA-N
-rxn:4:214201:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc1,KBKCMFLUAVOUFX-UHFFFAOYSA-N
-rxn:4:214230:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc2c(C3=CCN(C(=O)OC(C)(C)C)CC3)c[nH]c2c1,WZRYYCDTFIOZRF-UHFFFAOYSA-N
-rxn:4:214253:223769,CCN1C(=O)C(=Cc2c(Oc3ccc(-c4cc5cccc(C#N)c5n4C(=O)OC(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S,GNAMHTWXWPOZOK-UHFFFAOYSA-N
-rxn:4:214274:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1,KJSIOLNPOROQJD-FQEVSTJZSA-N
-rxn:4:214274:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)c1,ATCVYSNMEPOWNY-UHFFFAOYSA-N
-rxn:4:214276:222584,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cnc3[nH]2)CC1,UILQGSVPXCAYBP-UHFFFAOYSA-N
-rxn:4:214320:224664,CN1CCN(Cc2cc(F)cc(-c3ccc4ncn(C5CCCN(C(=O)OC(C)(C)C)CC5)c4c3)c2)CC1,GTQDYLUXDXXOOQ-UHFFFAOYSA-N
-rxn:4:214320:225540,CC(C)COc1cc(-c2ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c2)ccc1C#N,JJLKQZYVBXIHRP-UHFFFAOYSA-N
-rxn:4:214333:224718,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(-c3ccc(OCCN4CCOCC4)nc3)ccc12,JIADCAXMAIOXIC-UHFFFAOYSA-N
-rxn:4:214356:223570,CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1cccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,YKHDUYZMEBKLJL-UHFFFAOYSA-N
-rxn:4:214390:223112,CCOc1ccc(C2=NN3C(C2)c2cc(-c4c(C(C)C)ccc5[nH]ncc45)ccc2OC32CCN(C(C)=O)CC2)cc1,RLAMMJIXOPVTME-UHFFFAOYSA-N
-rxn:4:214585:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ncccc1CN1CC(S(N)(=O)=O)C1,RMLLMWWOKIFZGC-UHFFFAOYSA-N
-rxn:4:214639:225294,CCN1CCN(c2ncc(-c3cnc(N4CCCC(C(F)(F)F)C4)c([N+](=O)[O-])c3)cn2)CC1,GHECIIWOOYQGML-UHFFFAOYSA-N
-rxn:4:214669:224171,CC(=O)N1CCC(Cc2cnc(-c3ccc(OCCCN4CCCC4)c(F)c3)cn2)CC1,SUGSIGUVCVWXES-UHFFFAOYSA-N
-rxn:4:214700:223640,CCOC12C(=O)c3cc(F)cc(-c4cncc(CN5CCN(CC)CC5)c4)c3C(=O)C1C2(C)C,SQGJCAAYQSYHNK-UHFFFAOYSA-N
-rxn:4:214705:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,KXWNHJFQDNNLTD-UHFFFAOYSA-N
-rxn:4:214711:224194,CCN1CCN(Cc2ccc(-c3ccc(N4CCN(S(=O)(=O)CC)CC4)nc3)cc2Cl)CC1,RPBFXYCEZYKTOZ-UHFFFAOYSA-N
-rxn:4:214711:224704,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cn2)CC1,NJAUDKGDBXWSLV-UHFFFAOYSA-N
-rxn:4:214712:222748,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)NCC3CCCO3)c2)cn1,WWVKPRLYXWAJHE-UHFFFAOYSA-N
-rxn:4:214775:224634,COc1ccc(-c2cnc(OC3CCN(C4CCSC4)CC3)nc2)cc1CN1CCOCC1,SKHYUTGTZRODEQ-UHFFFAOYSA-N
-rxn:4:214802:222606,CC(C)(C)NC(=O)c1c(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)cccc1C(F)(F)F,NQTBQSGFLDAYMD-UHFFFAOYSA-N
-rxn:4:214803:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)ccn2)CC1,MVRGXEWYIJFCKT-UHFFFAOYSA-N
-rxn:4:214818:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,SEWGUASNZCZRLX-UHFFFAOYSA-N
-rxn:4:214819:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,LJULNZJCYOPTMD-UHFFFAOYSA-N
-rxn:4:214830:225093,CCCOc1c(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1OCC,NUJOFNIMWZHSGM-UHFFFAOYSA-N
-rxn:4:214830:225193,N#Cc1cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)ccc1C1COCCO1,ZKQITLLVXQOBHK-UHFFFAOYSA-N
-rxn:4:214835:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,DHTIGZUAHAQGAL-UHFFFAOYSA-N
-rxn:4:214836:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,CMYCAEXEZHOKAA-UHFFFAOYSA-N
-rxn:4:214836:227011,CC(C)OCc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,SJFCHHHMPXCCBF-UHFFFAOYSA-N
-rxn:4:214839:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)ccn2)CC1,OPXJOTMSGGBMPP-UHFFFAOYSA-N
-rxn:4:214839:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c2)CC1,NOVQPSHMLURXMG-UHFFFAOYSA-N
-rxn:4:214839:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,NWALYDOYRZINMW-UHFFFAOYSA-N
-rxn:4:214853:224324,N#Cc1c(-c2ccc(F)c(C(=O)N3CCC(=O)CC3)c2)cccc1N1CCN(C2CCCC2)CC1,FZRFVPDWNFGAOV-UHFFFAOYSA-N
-rxn:4:214854:222996,Fc1ccc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)c(C2CCCNC2)c1,QBECCKOXVGXFNN-UHFFFAOYSA-N
-rxn:4:214858:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1S(=O)(=O)NC1CCCC1,HWVAFAFDBZIDEM-UHFFFAOYSA-N
-rxn:4:214873:226554,CCCOc1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1F,AEEZKNAPLVRTNL-UHFFFAOYSA-N
-rxn:4:214880:223075,Cc1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,ACACWCKBDOCQRE-UHFFFAOYSA-N
-rxn:4:214883:225174,O=C(C1CCN(c2ccncc2-c2ccc(F)cc2CN2CCOCC2)CC1)N1CCC(F)(F)CC1,ZZHXJUBHQHDINH-UHFFFAOYSA-N
-rxn:4:215103:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cn2c(n1)CN(C(=O)OC(C)(C)C)CCC2,BHQRALJXOCNSPQ-UHFFFAOYSA-N
-rxn:4:215112:223671,CCC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3s2)CC1,WKNJLXFGVRIZID-UHFFFAOYSA-N
-rxn:4:215116:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)N2CC(n3c(C)nc4ccccc43)C2)o1,CKOHGWZRAOVTFU-UHFFFAOYSA-N
-rxn:4:215155:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)o3)ccc2OC)CC1,VNWVVJGORHAYIX-UHFFFAOYSA-N
-rxn:4:215184:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,XMCLXVHRMMSRRA-UHFFFAOYSA-N
-rxn:4:215198:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c2Cl)CC1,RYAAKCKKLHQTKX-UHFFFAOYSA-N
-rxn:4:215202:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,AGUOQZOFOMXQKX-UHFFFAOYSA-N
-rxn:4:215234:222606,Cc1c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)oc2ccc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)cc12,ULFASAPWBSQVNN-UHFFFAOYSA-N
-rxn:4:215298:223168,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cccnc3N3CCNCC3)cc12,QZBIHBBPEBESMG-UHFFFAOYSA-N
-rxn:4:215509:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CC(C#N)C4)nc3)s2)CC1,JWJWKNRYXKGGLF-UHFFFAOYSA-N
-rxn:4:215708:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C(=O)N3CCOCC3)nc2)CC1,ZAPNKURUGBJXMQ-UHFFFAOYSA-N
-rxn:4:215818:223784,CCN1CCN(CCOc2ccc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cc2F)CC1,FIYKNXCWSXPOPU-UHFFFAOYSA-N
-rxn:4:215823:222466,COc1nc(N2CCCCC2)ncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,AAUWSLCRHFFMME-UHFFFAOYSA-N
-rxn:4:215888:223602,CC1CCCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])C1,UHNRZQLTJQOVGD-UHFFFAOYSA-N
-rxn:4:215906:222583,CN1CCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)CC1,IIUWCFABMQOMHY-UHFFFAOYSA-N
-rxn:4:215934:223712,COc1ccc(-c2cn(C)nc2CN2CCC(C)CC2)cc1C12CC3CC(CC(C3)C1)C2,ALNRBOBPKMGJGQ-UHFFFAOYSA-N
-rxn:4:215961:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(S(N)(=O)=O)ccc1N1CCN(C)CC1,VAPBOGZQBQHFIL-UHFFFAOYSA-N
-rxn:4:215982:223522,CC1CCCN(c2cc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)nc(C(C)C)n2)C1,HDRXDVZQWRREEY-UHFFFAOYSA-N
-rxn:4:215989:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1,BBKQWWZTOVAFKL-UHFFFAOYSA-N
-rxn:4:215990:223084,CN1CCC(N2CCN(c3ccc(-c4cnc(N5CCC(O)CC5)nc4)cc3)CC2)CC1,ZOSLNLFUSHXLGD-UHFFFAOYSA-N
-rxn:4:216231:224586,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1cc(F)ccc1CN1CCC(C)CC1,FQWUVAHMPRUXQV-UHFFFAOYSA-N
-rxn:4:216245:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)N(C(=O)C(C)(C)C)CCN3C)cc1,VYDSNWXZHHBLFB-UHFFFAOYSA-N
-rxn:4:216319:225446,Cc1cc(OC2CCCC2)cc(-c2ccc3c(c2)N2CCCC2=C(C(=O)n2nc(C)cc2C)S3(=O)=O)c1,FCTJCRLOGUCUJB-UHFFFAOYSA-N
-rxn:4:216319:225536,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(OCC(C)C)c(C#N)c4)ccc3S2(=O)=O)n1,PEPXGTYKCPQOGK-UHFFFAOYSA-N
-rxn:4:217157:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C)C(=O)C3)nc2)CC1,CEHYHECTDCKVPW-UHFFFAOYSA-N
-rxn:4:217792:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)ccn2)CC1,WNPDIGVLGJRBAV-UHFFFAOYSA-N
-rxn:4:217889:224634,COc1ccc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc1CN1CCOCC1,VOEDJGAXHDRLQW-UHFFFAOYSA-N
-rxn:4:218651:223574,CN(C(=O)Cn1cc(-c2nc(-c3ccc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)no2)ccc1=O)c1cccc(Cl)c1,BIAMGMXHSIOVEU-UHFFFAOYSA-N
-rxn:4:218653:223255,CONC(=O)c1cccc(-c2cnn(CC3CN(C(=O)C4CC(=O)N(c5ccc(OC)cc5)C4)C3)c2)c1,XBRKRRGIRKRNKN-UHFFFAOYSA-N
-rxn:4:218681:225961,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnc(-n5cnc(C)c5)cc4F)cn3)CC2)CC1,CVYUGOPOVJQOIV-UHFFFAOYSA-N
-rxn:4:218682:223178,CONC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C4CCN(C(C)=O)CC4)C3)nc2)c1,WIOSBSROBBJHQD-UHFFFAOYSA-N
-rxn:4:218687:223482,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)c3)CC2)nn1,DDOWEPOEUZVIFV-UHFFFAOYSA-N
-rxn:4:218687:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1cncc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)c1,MXBKWDILXJCNPG-UHFFFAOYSA-N
-rxn:4:218704:222925,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C5CNC5)c(C(F)(F)F)c4)cc3)n[nH]2)CC1,MIKGZSRIRIMXHP-UHFFFAOYSA-N
-rxn:4:218711:227727,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-n4cncn4)nc3)CC2)CC1,RRPBDCCRPIFVIS-UHFFFAOYSA-N
-rxn:4:218857:225128,COC(=O)C1(c2ccc(F)c(-c3cnccc3OC3CCN(C(=O)c4cn(C)nc4C(F)F)C3)c2)CC1,FTGKBUYGTGPTMG-UHFFFAOYSA-N
-rxn:4:218867:226661,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCN(C)CC4)cs3)c2)no1,CAQKEXOTMQQERT-UHFFFAOYSA-N
-rxn:4:218868:225192,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(OC4CCCCC4)ncc3F)cc2)no1,YVPJIBNIWPVPAL-UHFFFAOYSA-N
-rxn:4:218868:226429,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCC(C)C4)s3)cc2)no1,AMWHECZIEQGKEV-UHFFFAOYSA-N
-rxn:4:218868:226572,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCCC4)nc3)cc2)no1,UGIZVFHCXDGLJP-UHFFFAOYSA-N
-rxn:4:218868:226691,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(N4CCCC4)c3)cc2)no1,BBQXVJYCFUETOP-UHFFFAOYSA-N
-rxn:4:218886:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4scnc4C)C3)nc2)cc1OCCCN1CCN(C)CC1,HYZYNCLCSXYCLI-UHFFFAOYSA-N
-rxn:4:218886:224759,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,OKHGXSOYZSZYHX-UHFFFAOYSA-N
-rxn:4:218888:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c(Cl)c2)CC1,INAZONVEYBRRQZ-UHFFFAOYSA-N
-rxn:4:218910:224015,Cc1cc(F)c(-c2cnc(OCC3CCCN(Cc4cccnc4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,TXWQVCVBYVOKEU-UHFFFAOYSA-N
-rxn:4:218945:222929,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cncc2[N+](=O)[O-])CC1,XEPATVKLCIUXLX-UHFFFAOYSA-N
-rxn:4:218971:222542,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(C)c(OCCCN5CCNCC5)c4)cn3)CC2)s1,LUZWYUSHGVPBSO-UHFFFAOYSA-N
-rxn:4:218976:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cnc(OC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c1,FZUBANXGYYTLSJ-UHFFFAOYSA-N
-rxn:4:218992:222814,CC(C)(C)OC(=O)Nc1nccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1F,GRDQZBYONNVYTK-UHFFFAOYSA-N
-rxn:4:218992:226201,CC(C)n1cc2cc(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)ccc2n1,NEPAZTHAFWOFQK-UHFFFAOYSA-N
-rxn:4:218992:228695,CN(C)Cc1cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cs1,CXRODNFGAFSRAS-UHFFFAOYSA-N
-rxn:4:218996:223602,Cc1noc(C)c1CN1CCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,UUEUJWKBBKDQRL-UHFFFAOYSA-N
-rxn:4:218998:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1OCC,VJXUTYPOQRCZRA-UHFFFAOYSA-N
-rxn:4:219002:222948,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)c1=O,MBVVVYGAMYBNLU-UHFFFAOYSA-N
-rxn:4:219002:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cccn(C)c5=O)C4)nc3)c(F)c2)CC1,URTVEGLQDNJZLG-PECFQXNXSA-N
-rxn:4:219028:226999,CCCC(=O)c1ccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)cc1,PWDFDSJHHQBZKG-UHFFFAOYSA-N
-rxn:4:219044:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)c2)CC1,BZCMYYAJMNCDKS-UHFFFAOYSA-N
-rxn:4:219044:223959,CCN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)ccc2Cl)CC1,CDCKPOCBLWAPNC-UHFFFAOYSA-N
-rxn:4:219046:223664,O=C1C(N2CCCC(COc3ncc(-c4ccc(COc5ccc(OC(F)(F)F)cc5)cc4)cn3)C2)CCN1C1CC1,GODSKCYQMIHGOM-UHFFFAOYSA-N
-rxn:4:219053:225170,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)ccc4CN4CCOCC4)c3)cn2)CC1,USSDRDNERGFKPV-UHFFFAOYSA-N
-rxn:4:219129:224759,O=C(c1cc(F)cc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)c1)N1CCOCC1,AGVFUCYMSXEKOX-UHFFFAOYSA-N
-rxn:4:219130:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c2)CC1,YZLZQVRMNNYPHJ-UHFFFAOYSA-N
-rxn:4:219205:223812,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,YAVISHNFCMZQNF-UHFFFAOYSA-N
-rxn:4:219244:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ncnn2C2CN(C(=O)OC(C)(C)C)C2)c1,BFCNUBWTVLBNPF-UHFFFAOYSA-N
-rxn:4:219366:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)cc2)ccc1OC,SWIAQVXOFVHBPE-UHFFFAOYSA-N
-rxn:4:219372:222584,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,QMVFFFQHWCQLPY-UHFFFAOYSA-N
-rxn:4:219384:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2Cl)CC1,OLJBMNLZKLOCKJ-UHFFFAOYSA-N
-rxn:4:219400:224318,CN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCN(c5ccnc(C(F)(F)F)c5)C(=O)C4)c3)cc2F)CC1,SDNUOXLGLHGRIJ-UHFFFAOYSA-N
-rxn:4:219402:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1,FSNIERKQSWPORQ-UHFFFAOYSA-N
-rxn:4:219405:225984,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,BSKGSUMAOMJWBC-UHFFFAOYSA-N
-rxn:4:219410:222592,Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)cc2)cc1,XTWJYLGKHMJBLW-UHFFFAOYSA-N
-rxn:4:219414:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c1,DPFIWEUFTAWEOR-UHFFFAOYSA-N
-rxn:4:219433:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)o3)c2)CC1,ARUCLDWYLWDKGC-UHFFFAOYSA-N
-rxn:4:219469:224481,CSc1ncc(-c2ccc(OCCCN3CCCC3)cc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,DKSZNOHTHZZGSN-UHFFFAOYSA-N
-rxn:4:219477:224974,CN1CCN(Cc2ccccc2-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)CC1,ADZFYJLFPOIEQT-UHFFFAOYSA-N
-rxn:4:219498:223787,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,KNSPBGIKVFRVMT-UHFFFAOYSA-N
-rxn:4:219498:223959,CCN1CCN(C(=O)c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3OC)ccc2Cl)CC1,ZLQSTSLUFSEXEW-UHFFFAOYSA-N
-rxn:4:219515:228096,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3ccc(OCCF)cc3)s1)C2,VPWQIKDZGBCYJR-UHFFFAOYSA-N
-rxn:4:219516:225656,CC1CCCCN1c1cncc(-c2cnc(OC3CCN(CC4CC(=O)N(C)C4)CC3)nc2)c1,MOALZIAOUKYMNU-UHFFFAOYSA-N
-rxn:4:219516:228200,CN1CC(CN2CCC(Oc3ncc(-c4ccnn4C4CCCC4)cn3)CC2)CC1=O,RYAPTPJMJPNKBY-UHFFFAOYSA-N
-rxn:4:219532:226915,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(C2CCCC2)cc1,CQTANBHDIOFKDZ-UHFFFAOYSA-N
-rxn:4:219533:228087,CSc1ncc(-c2ccc(OCC#N)cc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,KQMHBGPDSVCUMY-UHFFFAOYSA-N
-rxn:4:219534:223916,CC(C)N1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)CC1,XFHOUQLRPRKJTH-UHFFFAOYSA-N
-rxn:4:219537:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1S(=O)(=O)NC1CCCC1,ZYZPVKANHFSYNO-UHFFFAOYSA-N
-rxn:4:219540:223528,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)ncn1,GFVMTNAZDIQLJM-UHFFFAOYSA-N
-rxn:4:219624:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)o1,LHMVTJWRSUHYFR-UHFFFAOYSA-N
-rxn:4:219653:224663,CN1CCN(Cc2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2F)CC1,MJLCULLBTDGWNC-UHFFFAOYSA-N
-rxn:4:219654:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2)CC1,HBNOQKMZMWZEEU-UHFFFAOYSA-N
-rxn:4:219704:224672,CCN1CCN(c2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)c(Cl)c2)CC1,JMUOCJLFPCTWPG-UHFFFAOYSA-N
-rxn:4:219745:223589,COc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,ZEGSIAXGTWVYEV-UHFFFAOYSA-N
-rxn:4:219868:223766,CCN1CCN(c2c(-c3cc4cc(C#N)ccc4n3C(=O)OC(C)(C)C)cncc2[N+](=O)[O-])CC1,PULNSJFCPGJGTC-UHFFFAOYSA-N
-rxn:4:219872:223927,COC(=O)c1nc(Cl)c(N2CCN(C)CC2)nc1-c1cc2cccnc2n1COCC[Si](C)(C)C,KKXZZPLBISGBKK-UHFFFAOYSA-N
-rxn:4:219894:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(n4ccnn4)CC3)c2)CC1,OYMRJXWVSLWRIA-UHFFFAOYSA-N
-rxn:4:219929:222788,CC(C)N1CCN(C(=O)c2cnn(C)c2-c2ccc(NC(=O)OC(C)(C)C)cc2F)CC1,ANMRDBVPCMXQDX-UHFFFAOYSA-N
-rxn:4:219937:222693,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)n3)C2)c1,WTZLPPSKDVVXJY-UHFFFAOYSA-N
-rxn:4:219951:223529,Cn1ccnc1N1CCN(C(=O)c2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)CC1,ZRXMKOLYDOBOEP-UHFFFAOYSA-N
-rxn:4:219955:222466,O=C(C1CN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CCO1)N1CCSCC1,MQHUGWWYBQMJNK-UHFFFAOYSA-N
-rxn:4:219961:223640,CCOC12C(=O)c3cc(F)cc(-c4cccc(C(=O)N5CCN(c6ccc(C)nn6)CC5)c4)c3C(=O)C1C2(C)C,QBTYLSQINYWLJZ-UHFFFAOYSA-N
-rxn:4:220046:223480,Cc1cc(-c2c(CSc3nc4ccccc4[nH]3)nc3ccccn23)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HLBFANSSRVBKNA-UHFFFAOYSA-N
-rxn:4:220136:225050,CC1CCN(c2cc(F)cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c2)CC1,MWGBJIYIRDHVEW-UHFFFAOYSA-N
-rxn:4:220137:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)ccc(F)c2s1,FQMCUEHGNPDJEN-UHFFFAOYSA-N
-rxn:4:220137:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)c(Cl)cn1,RYWFNDWGOVTAOD-UHFFFAOYSA-N
-rxn:4:220137:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cn2)CC1,NZZXMEUEJZQXEI-UHFFFAOYSA-N
-rxn:4:220204:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)CC1,HPNZAESOOYVVDO-UHFFFAOYSA-N
-rxn:4:220204:225537,CCN(CC)Cc1ccc(F)c(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)c1,FCNBSBIRTAGJHN-UHFFFAOYSA-N
-rxn:4:220267:224932,COc1ccc(CN(C)C(C)C)cc1-c1ccc(C(=O)N2c3ccccc3N3C(c4c(C)c(C)cc(C)c4C)=NON23)cc1,DRRUDTKLMGOUDL-UHFFFAOYSA-N
-rxn:4:220533:224571,CC(C)N1CCN(c2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2)CC1,ZKITVZVHBSUZAE-UHFFFAOYSA-N
-rxn:4:220945:223660,CN1CCC(n2ncc3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cnc32)CC1,KIVULXIVEZGSST-UHFFFAOYSA-N
-rxn:4:221108:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OCC4CCN(C(=O)Cn5cnc(C)c(C)c5=O)CC4)nc3)cn2)CC1,LSMGYLXCBBFENU-UHFFFAOYSA-N
-rxn:4:221115:224686,CCOc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,KUWMQDNNAUXFLQ-UHFFFAOYSA-N
-rxn:4:221120:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cncc(C(=O)N4CCN(Cc5nc6ccccc6n5Cc5ccccc5)CC4)c3)ccc2F)CC1,QZTGEVCZVRDXJN-UHFFFAOYSA-N
-rxn:4:221121:223057,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)nc(C6CCCNC6)c5)ccc43)CC2)CC1,GBWHWOCBRQULGA-UHFFFAOYSA-N
-rxn:4:221149:222658,N#Cc1ccc(N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cn3)C2)nc1,AFBOYNBHIVHANX-UHFFFAOYSA-N
-rxn:4:221161:224022,Cc1noc(CN2CCCC(COc3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)C2)n1,PHFKRVVPTMYSKI-UHFFFAOYSA-N
-rxn:4:221172:225172,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)ccc1=O,SFCQCEDIQIJTIQ-UHFFFAOYSA-N
-rxn:4:221175:228804,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(SC)c(Cl)c4)cn3)C2)C(=O)C1=O,UVDOLWPGROKEHL-UHFFFAOYSA-N
-rxn:4:221195:224830,O=C(c1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1,AHTXVPNTFRCUPV-UHFFFAOYSA-N
-rxn:4:221205:226844,O=C(c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)ccn1)C(F)(F)F,PXYSACFTAKUHJT-UHFFFAOYSA-N
-rxn:4:221209:225054,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(N5CCCCC5C)cc4Cl)cc3)CC2)n1,WVQDBIJJFPWILR-UHFFFAOYSA-N
-rxn:4:221220:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCCN(C(=O)Cn5cnc6ccccc65)C4)nc3)c(F)c2)CC1,FLPLOGGMSPFZBF-UHFFFAOYSA-N
-rxn:4:221229:224286,O=C(c1cnc2ccccc2n1)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cn2)C1,ZFSNEZKPPUKAQG-UHFFFAOYSA-N
-rxn:4:221230:225542,CCCCCc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c(F)c1F,NQVAROLJXVNBRA-UHFFFAOYSA-N
-rxn:4:221364:223527,CCc1cnc(OC2CCN(c3ncc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)nc1,ACKIFRRSBKZZGF-UHFFFAOYSA-N
-rxn:4:221372:222632,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)o3)CC2)c1,LXOCFKHDFIUTCR-UHFFFAOYSA-N
-rxn:4:221374:222546,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1=O,XUGMRMYRQZRGDX-UHFFFAOYSA-N
-rxn:4:221387:224179,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCN5CCN(C)CC5)cc4)cn3)CC2)c1C,SERCKEHOKZLSDJ-UHFFFAOYSA-N
-rxn:4:221389:222723,Cc1ncnc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1C,XCAISHDTFVPKFY-UHFFFAOYSA-N
-rxn:4:221395:224022,O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cn2)CC1,IWDISRGQKAAVDR-UHFFFAOYSA-N
-rxn:4:221402:222630,CN(C)c1nccc(N2CCN(Cc3ccccc3-c3cc(C4CCC4)nc(C4CCNCC4)c3)CC2)n1,XPOHHIRVJRCOCY-UHFFFAOYSA-N
-rxn:4:221421:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,CNNYFYYODAQROP-UHFFFAOYSA-N
-rxn:4:221443:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,JWILCFSATWDODP-UHFFFAOYSA-N
-rxn:4:221449:223077,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cc3)CC2)n1,WROZXKYEUXQUIH-UHFFFAOYSA-N
-rxn:4:221449:227086,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCC5)c4)cc3)CC2)n1,SGDRCFWGEUNDPV-UHFFFAOYSA-N
-rxn:4:221451:226844,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)n1,VZKHNESRIADIAE-UHFFFAOYSA-N
-rxn:4:221485:224182,Cc1cc(-c2c(C)n(S(=O)(=O)c3ncn(S(=O)(=O)N(C)C)n3)c3cc(F)ccc23)ccc1OCCN1CCOCC1,BHFOSJWDLGMUKY-UHFFFAOYSA-N
-rxn:4:221492:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)c(F)c2)CC1,SPMOYVAVMGWPOF-YHBQERECSA-N
-rxn:4:221497:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cnc(OC4CCN(C(=O)c5cnc6ccccc6n5)CC4)nc3)cc21,YSGPAUZQRUVCQK-UHFFFAOYSA-N
-rxn:4:221528:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,HQVYVKOMFSVVRC-UHFFFAOYSA-N
-rxn:4:221726:222604,COc1ccc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,QDWXKZZVZJWMAW-UHFFFAOYSA-N
-rxn:4:221740:222546,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)n(C)c1=O,FGPOCRJVSZRZPT-UHFFFAOYSA-N
-rxn:4:221782:223993,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cc3)c(=O)n2C)c(C)c1,NXWWQWWXZRJLLE-UHFFFAOYSA-N
-rxn:4:221832:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1,KSVFEXVCQYRHHE-UHFFFAOYSA-N
-rxn:4:221832:224592,N#CC1(c2ccc(F)c(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CCCCC1,PCGUMMQOEPPAAA-UHFFFAOYSA-N
-rxn:4:221832:224768,O=C(c1c(F)cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1F)N1CCCC1,FRRCKBCJQRKKDW-UHFFFAOYSA-N
-rxn:4:221836:224768,O=C(c1c(F)cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1F)N1CCCC1,CLPORWAUWLDVRJ-UHFFFAOYSA-N
-rxn:4:221921:223577,CN(C(=O)Cc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1,BUURIBJQIYODSX-UHFFFAOYSA-N
-rxn:4:221929:224686,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(C(=O)N6CCCCC6)cc5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,MHKKHSYVIDCAGW-UHFFFAOYSA-N
-rxn:4:221937:222584,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)nn1,WNZNYLXQNZYYCU-UHFFFAOYSA-N
-rxn:4:221943:222829,CNS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)c(C(F)(F)F)c1,YKBALLJYAUVJNE-UHFFFAOYSA-N
-rxn:4:222062:222781,Cc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cn1,ZSWAGWSOSCCJCW-UHFFFAOYSA-N
-rxn:4:222062:228490,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)F)c4)cc3)CC2)n1,SVSNJNRIIHRHEZ-UHFFFAOYSA-N
-rxn:4:222089:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,VXRSZUSAPUHTBZ-UHFFFAOYSA-N
-rxn:4:222108:223065,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1F,SWRSMKODZZWTJW-UHFFFAOYSA-N
-rxn:4:222108:224963,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,ISLOSNKFEDWPET-UHFFFAOYSA-N
-rxn:4:222108:225590,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,UNGBEJKJRYYTIH-UHFFFAOYSA-N
-rxn:4:222108:225719,COCCOc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1OC,LHMVMPLMTJOXSG-UHFFFAOYSA-N
-rxn:4:222156:222537,Fc1c(C2CC2)ncnc1N1CCN(c2ncc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)CC1,SQMOQQFIYALHIP-UHFFFAOYSA-N
-rxn:4:222161:222584,Cn1nc(C2CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)n(C2CC2)c1=O,SHGFVQLOIMWWJA-UHFFFAOYSA-N
-rxn:4:222167:222389,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)c1C,HIVTVITXMFOVPQ-UHFFFAOYSA-N
-rxn:4:222168:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,BLBBLFGNSCLXCL-UHFFFAOYSA-N
-rxn:4:222331:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c2)CC1,QIZVWRPPQOZKTK-UHFFFAOYSA-N
-rxn:4:222332:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c(F)cc(F)c2s1,DWKWKAUXIJAAKX-UHFFFAOYSA-N
-rxn:4:222335:222624,Cc1cc(N2CCN(c3ncc(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cn3)CC2)nc(N2CCCC2)n1,RWSOXXBJAIUSNN-UHFFFAOYSA-N
-rxn:4:222335:222852,Cc1cc(N2CCN(c3ncc(-c4cccc(CN5CCC(O)CC5)c4)cn3)CC2)nc(N2CCCC2)n1,UJIYZGUPXPUWQX-UHFFFAOYSA-N
-rxn:4:222613:174129,CCCNS(=O)(=O)c1ccc(-c2ccc(SC(C)(C)C(=O)OCC)cc2)c(C(F)(F)F)c1,RATCQZFHGLFYTC-UHFFFAOYSA-N
-rxn:4:222623:215275,CCC(C)c1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C(c2ccc([N+](=O)[O-])cc2)O3)cc(C2CCNCC2)n1,NIINVTONJVIMCV-UHFFFAOYSA-N
-rxn:4:222791:174575,COC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C2=O,MZGBDFIDIMQYHT-UHFFFAOYSA-N
-rxn:4:222821:199893,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)ccc1F,TWFJMPWNMAIZKH-UHFFFAOYSA-N
-rxn:4:222881:187961,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(C(=O)NC(C)(C)C)cc3F)cc1)CC(C)(C)CC2=O,MYXBEFUZWKPZAP-UHFFFAOYSA-N
-rxn:4:222891:185239,COc1cc(-c2ccc(OCC3CCN(CC4CC4)CC3)cc2)cc(C2CCNCC2)n1,MBLTWACGTIDWNE-UHFFFAOYSA-N
-rxn:4:222910:187820,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)OCC)c(C)c1,PPHXDVFVHHGUBK-UHFFFAOYSA-N
-rxn:4:222950:199590,CONS(=O)(=O)c1cc(-c2ccnc(N(CC(C)C)C(=O)OC(C)(C)C)c2)ccc1OC,FJWRKLOANOGPMU-UHFFFAOYSA-N
-rxn:4:223071:219955,CCS(=O)(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1,DFKINVVKBVVVTP-UHFFFAOYSA-N
-rxn:4:223092:214014,CN(C)S(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)c1,DEAJIXNCTCXVQZ-UHFFFAOYSA-N
-rxn:4:223582:184249,COC(=O)c1ccc2cc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3OCc3ccccc3)n(C(=O)OC(C)(C)C)c2c1,UVRNLAWNMNJNHE-UHFFFAOYSA-N
-rxn:4:223920:178023,COc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)c(OC)c1C1OCCO1,JDAAKPBNDIOPRN-UHFFFAOYSA-N
-rxn:4:223970:197904,Cc1ccc(-c2ccc(C=C3C(=O)C4CCN3CC4)cc2)cc1S(=O)(=O)N1CCC(C)CC1,CKYTUIWIVMYLSF-UHFFFAOYSA-N
-rxn:5:177184:222989:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(N2CCNCC2)cc1C,VCTHORLWMDEAFJ-UHFFFAOYSA-N
-rxn:5:177184:223065:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,GLCMJGSEYOGAKD-UHFFFAOYSA-N
-rxn:5:177186:223062:225639,CCOC(=O)c1cc(-c2cccnc2N2CCC(C)CC2)c(-c2cnc(C3CCNCC3)cc2F)cc1C,TXYJDLPKCOVSCE-UHFFFAOYSA-N
-rxn:5:177190:222990:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(N3CCC(O)CC3)cc2)c1,GGDIZTROYBOBMC-UHFFFAOYSA-N
-rxn:5:177190:222990:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,XEEIWZBZURFFRZ-UHFFFAOYSA-N
-rxn:5:177190:222990:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,IWSVCIHYKVRNTM-UHFFFAOYSA-N
-rxn:5:177190:222992:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCCCC3O)cc2)c1,ITAITFXHSTYQJW-UHFFFAOYSA-N
-rxn:5:177190:222992:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCCCC3O)cc2)c1,RUFANDJPWJJZKH-UHFFFAOYSA-N
-rxn:5:177190:222992:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3O)cc2)c1,ZSOAVVBPLDFWMY-UHFFFAOYSA-N
-rxn:5:177190:222993:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(N3CCCCC3O)c2)c1,PNUFEWAFEMLETG-UHFFFAOYSA-N
-rxn:5:177190:222994:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cccc(N3CCC(O)CC3)c2)c1,QGFWCYULFMKAAX-UHFFFAOYSA-N
-rxn:5:177190:222994:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,FYGIXUDVONWRNR-UHFFFAOYSA-N
-rxn:5:177190:222994:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,DPHBNDPCSUZHET-UHFFFAOYSA-N
-rxn:5:177190:222994:225652,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCCC(C)C3)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,YEKYHRHCVYHLIO-UHFFFAOYSA-N
-rxn:5:177190:225407:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(C3CCCCCC3)cc2)c1,VGGSGTSVMDRFCZ-UHFFFAOYSA-N
-rxn:5:177190:225407:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,LJDDBFDYUMYMFO-UHFFFAOYSA-N
-rxn:5:177190:225455:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cc(N3CCCCC3)ccc2C)c1,IOLYJQAKZMRMFG-UHFFFAOYSA-N
-rxn:5:177190:225455:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,IGHBVLFVJPNOLT-UHFFFAOYSA-N
-rxn:5:177190:225455:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,IKGJXKPXPKHGFZ-UHFFFAOYSA-N
-rxn:5:177190:225455:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cc(N3CCCCC3)ccc2C)c1,HGBXVFNVBNWWHN-UHFFFAOYSA-N
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-rxn:5:180662:223202:222960,COC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCNCC4)c3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,SZSJGHWEWJGLSQ-UHFFFAOYSA-N
-rxn:5:180662:223294:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,PXQGRACDNSLKJJ-UHFFFAOYSA-N
-rxn:5:180662:225980:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,XMTLPLKYSJJKES-UHFFFAOYSA-N
-rxn:5:180662:226177:226189,COC(=O)C1=Cc2cc(-c3ccc(C4CCCC4)c(F)c3)cc(-c3ccnc(C4CCCCC4)c3)c2OC1,NQQUXRYJCLGTDQ-UHFFFAOYSA-N
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-rxn:5:180749:225454:223064,CN1CC=C(c2ccc(-c3cc4c(cc3C(=O)c3ccc(-c5ccc(C6CCNCC6)nc5F)cc3)OCCO4)cc2)CC1,SHFNLRJIILNLOO-UHFFFAOYSA-N
-rxn:5:181630:225881:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccc(C3CCOCC3)nc2F)cccc1C1OCCO1,UBYPKPJXEUZVOW-UHFFFAOYSA-N
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-rxn:5:181905:222956:222996,Cc1ccc(-c2c(C)ccc(-c3ccc(F)cc3C3CCCNC3)c2C2OCCO2)c(C2CCCNC2)c1,DPWJZLFHACGJLD-UHFFFAOYSA-N
-rxn:5:181908:222996:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(F)cc2C2CCCNC2)cc1C1CCNCC1,FHKMSTOJQXNFSS-UHFFFAOYSA-N
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-rxn:5:182011:222958:222985,Cc1ccc(-c2ccc(C3CCOCC3)cc2-c2ccc(C3CCCNC3)nc2C)cc1C1CCNCC1,LVUWHDWINWNVBM-UHFFFAOYSA-N
-rxn:5:182011:223063:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ccc1-c1cc(F)nc(C2CCNCC2)c1,ADAAUSFYDGXIIG-UHFFFAOYSA-N
-rxn:5:182013:222998:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1C1CCOCC1,MRCSRTIUKPUURF-UHFFFAOYSA-N
-rxn:5:182013:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncc(C3CCNCC3)c2)c(C2CCOCC2)c1,DRNCGEYPCVQURL-UHFFFAOYSA-N
-rxn:5:188930:223135:223294,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1csc(N2CCNCC2)n1,RENZNQLIOITIHD-UHFFFAOYSA-N
-rxn:5:188930:223148:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C2CNCCO2)cc1-c1cccnc1N1CCOCC1,JAZFBSWACOMEED-UHFFFAOYSA-N
-rxn:5:188932:223139:223135,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,ZDSGWEKGQBWQDX-UHFFFAOYSA-N
-rxn:5:188932:223146:223138,COC(=O)c1cc(-c2cccc(C3CNCCO3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,AZDSINQJJVVMCH-UHFFFAOYSA-N
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-rxn:5:189079:225584:225632,CCN(C)C(=O)c1ccc(-c2cccc(N3CCN(C)CC3)c2)c(-c2ccc(C(=O)N3CCCC3)cc2)c1,DOIQSOAYYHCLLE-UHFFFAOYSA-N
-rxn:5:189207:225822:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(F)(F)F)c2C2CC2)ccc1-c1ccc(S(=O)(=O)O)cc1,LIRKONPCWQTIIB-UHFFFAOYSA-N
-rxn:5:189208:223347:222960,Cc1cc(-c2cc(-c3cccc4c3CNC4=O)ccc2C(=O)ON2C(=O)CCC2=O)cc(C2CCNCC2)c1,QCYWAOAWOULRHG-UHFFFAOYSA-N
-rxn:5:189209:226685:227839,Cc1cccc(C2CC2)c1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cnc(C3CCOCC3)nc2)c1,ZVENNEYTSSVQQY-UHFFFAOYSA-N
-rxn:5:189211:223130:227298,CN(C)Cc1ccc(F)cc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(CN2CC(O)C2)cc1,IYOMWCDMEQDCNI-UHFFFAOYSA-N
-rxn:5:189212:225464:227778,CC1CCCN(c2cccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cc(F)cc(F)c3[N+](=O)[O-])c2)C1,IQHQCEXBIKMVPI-UHFFFAOYSA-N
-rxn:5:189212:226580:226155,CC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(C(=O)N(C)C)ccc2F)cc(C2CC2)c1,AXRQDTXBRZIEJG-UHFFFAOYSA-N
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-rxn:5:189323:226149:225871,COc1ccc(-c2cnc(-c3cccc(N4C(=O)C=CC4=O)c3)cc2C(=O)OC(C)(C)C)cc1C(C)(C)C,SCPVWLMERUJJQK-UHFFFAOYSA-N
-rxn:5:189448:225584:227712,COC1CN(C(=O)c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)c(-c3ccc(OC(F)F)c(F)c3)c2)C1,YNCQHZWLAYRWBE-UHFFFAOYSA-N
-rxn:5:189449:226350:226765,COC(=O)c1ccc(-c2ccc(-c3ccc(C)c(C(=O)OC)c3C)c(C(=O)N3CC(OC)C3)c2)c(F)c1F,IFHVSWUNZRTIMG-UHFFFAOYSA-N
-rxn:5:189666:226062:223018,CC(C)c1cc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(C(C)C)c1,SLQBDZVVRFNKMY-XMPQRMRXSA-N
-rxn:5:189671:225590:227055,COc1ccc(-c2cccc(-c3ccc(CN4CCCC4)c(F)c3)c2/C=N/S(=O)C(C)(C)C)cc1C1CC1,LTOIOPUQRQRHHP-QXUDOOCXSA-N
-rxn:5:189718:225872:223066,COC(=O)c1n[nH]c2cc(-c3cc([N+](=O)[O-])c(OC4CCOCC4)cc3-c3cc(F)c(F)c(N4CCCC4)c3)ccc12,HREPCZYPDSDLBX-UHFFFAOYSA-N
-rxn:5:189718:228200:228194,Cc1nn(C(C)C)c(C)c1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccnn1C1CCCC1,ZIWBNOAJJSKIJS-UHFFFAOYSA-N
-rxn:5:189826:223007:223148,O=C(Cc1ccc(-c2ccccc2C2CNCCO2)cc1-c1cc(F)cc(C2CCNCC2)c1)N1CCOCC1,OUBOVNURGFONME-UHFFFAOYSA-N
-rxn:5:189910:225833:227379,Fc1c(-c2ccc(-c3cccnc3N3CCCC3)c(CCN3CCOCC3)c2)ccnc1N1CCCCC1,YIGPHEWGLVMYHR-UHFFFAOYSA-N
-rxn:5:189952:223006:223113,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,DBSZZERNWUFOGY-UHFFFAOYSA-N
-rxn:5:190001:226414:225798,O=C(Cc1ccc(-c2ccc(OC3CCOCC3)nc2)c(-c2ccc(C3=NCCCO3)cc2)c1)N1CCCCC1,IIFCLAMGZXEDHN-UHFFFAOYSA-N
-rxn:5:190097:225607:223266,CNC(=O)c1ccc(F)cc1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1CCN1CCCCC1,VRQMRLXUUYKCEK-UHFFFAOYSA-N
-rxn:5:190128:227894:225621,COC1CCN(C(=O)c2ccc(-c3cccc(/C=C/C#N)c3)c(-c3ccc(OC4CCOC4)c(C)c3)c2)CC1,QIMJDDXGYDTXEG-GQCTYLIASA-N
-rxn:5:190131:226969:227611,COc1c(-c2ccc3c(c2)CCCC3=O)cc(C(=O)N2CCCCC2)cc1-c1ccnn1C1CCCCO1,KOSZDIOGACXRDL-UHFFFAOYSA-N
-rxn:5:190132:223018:226058,COC1CCN(C(=O)c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc2-c2c(C(C)C)cccc2C(C)C)CC1,QKVGXFSCZQSONW-UHFFFAOYSA-N
-rxn:5:190132:226084:227040,COC1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2-c2cc(C)ccc2OC(C)C)CC1,RUKVQWCYFJADHY-UHFFFAOYSA-N
-rxn:5:190132:226884:227984,COc1ccc(-c2cc(-c3c(F)cc(C(F)(F)F)cc3F)ccc2C(=O)N2CCC(OC)CC2)c(C)c1C,GMMAZNSXIJCTEY-UHFFFAOYSA-N
-rxn:5:190177:226751:227803,Cc1cc(OC(F)(F)F)ccc1-c1ccc(N2C(=O)CC(Sc3ccc(-c4ccnn4S(=O)(=O)N(C)C)cc3)C2=O)cc1,NRALCODHEFRXTJ-UHFFFAOYSA-N
-rxn:5:190195:226028:227858,CN1Cc2cccc(-c3cc(CN(C)C4CCOCC4)ccc3-c3ccc(C(F)(F)F)c(C#N)c3F)c2C1,FBJBVVXULPIMHL-UHFFFAOYSA-N
-rxn:5:190196:223113:223062,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnc(C2CCNCC2)cc1F)C1CCOCC1,CKHZIIVZQBKIPJ-UHFFFAOYSA-N
-rxn:5:190197:223141:227376,CN(Cc1ccc(-c2cncc(N3CCCC3)c2)cc1-c1cncc(C2CCNCC2)c1)C1CCOCC1,KXBMNZLOEZQVDA-UHFFFAOYSA-N
-rxn:5:190197:225871:228103,CC(C)Cc1ncc(-c2ccc(CN(C)C3CCOCC3)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)cn1,CZAYOZHVXPJVFC-UHFFFAOYSA-N
-rxn:5:190199:223065:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCNCC3)cc2F)c(CN(C)C2CCOCC2)c1,QCXZQWSRRUXUCD-UHFFFAOYSA-N
-rxn:5:190199:223113:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c(CN(C)C4CCOCC4)c3)c2)CC1,VWIIONQVXRPZLZ-UHFFFAOYSA-N
-rxn:5:190200:226026:226049,CN(Cc1cc(-c2ccc(S(=O)(=O)N(C)C)c(F)c2)cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1)C1CCOCC1,LZSOZGCLODUYLY-UHFFFAOYSA-N
-rxn:5:190201:223113:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)cc3CCN3CCOC(C)C3)c2)CC1,KKSUWKJBVIREKU-UHFFFAOYSA-N
-rxn:5:190265:225447:228787,COc1cc(F)cc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(OC3CCCCC3)cc2)c1,BROIGXCIOQKDTF-UHFFFAOYSA-N
-rxn:5:190309:226761:227304,CSc1ccc(-c2ccc(-c3cnc(OC(C)C)cc3C)c(CCN3CCCCC3C)c2)c(C(F)(F)F)c1,ARCHXNSFGBJKFF-UHFFFAOYSA-N
-rxn:5:190337:227689:228182,COc1c(-c2ccc(CC(F)(F)F)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cccc(CC(F)F)c1,WUFUQDRCGVXWBO-UHFFFAOYSA-N
-rxn:5:190353:226211:225441,CC(=O)N1CCc2cc(-c3ccc(-c4cc(C5CC5)cnc4C(C)(C)C)c(C(=O)N4CCC(c5ccccc5)C4)c3)ccc21,RETRSKSGUYZSCN-UHFFFAOYSA-N
-rxn:5:190484:223135:227507,O=C(c1cccc(-c2cccnc2C2CCCNC2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,TZFAUAWNVPKJCM-UHFFFAOYSA-N
-rxn:5:190484:223240:227501,O=C(c1cccc(-c2ccc(C3CCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,WHWKSVFKRVBXPV-UHFFFAOYSA-N
-rxn:5:190484:227124:227043,Cc1cc(OC(C)C)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(C(C)(C)C)cc3F)c2)CCS1(=O)=O,GECAZQPRIDBQHX-UHFFFAOYSA-N
-rxn:5:190484:228562:227415,CCC(C)c1csc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)c1,RCKDIYKBRRVWCY-UHFFFAOYSA-N
-rxn:5:190711:225982:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2n1C,KMSJNURRHFJZHP-UHFFFAOYSA-N
-rxn:5:190740:223062:223064,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,LOCCHIIMGAFQDQ-UHFFFAOYSA-N
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-rxn:5:190740:225976:225980,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(N2CCOCC2)ncc1F,GJHKKIGCRMOQFV-UHFFFAOYSA-N
-rxn:5:190740:225978:225978,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1ccc(N2CCOCC2)nc1F,BXGRFHVPSPSZGR-UHFFFAOYSA-N
-rxn:5:190740:225978:225980,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1cc(N2CCOCC2)ncc1F,ZRZNSUUPMMVFML-UHFFFAOYSA-N
-rxn:5:190741:223062:225982,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,LSPMYWVMTOHHRW-UHFFFAOYSA-N
-rxn:5:190742:223064:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1ccc(C2CCNCC2)nc1F,RILKTAPHDLGCMG-UHFFFAOYSA-N
-rxn:5:190742:225784:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,OXSIOJWDQRSAGN-UHFFFAOYSA-N
-rxn:5:190742:225976:223061,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cc(C2CCNCC2)ncc1F,RNSGGPFSOYWJDN-UHFFFAOYSA-N
-rxn:5:190742:225980:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1cc(N2CCCCC2)ncc1F,RLVGJMCPNZIWBE-UHFFFAOYSA-N
-rxn:5:190742:225980:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1ccnc(N2CCOCC2)c1F,VUIKFZXNLLMFMS-UHFFFAOYSA-N
-rxn:5:190743:223061:223064,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,WPAKHMMVHXTXDT-UHFFFAOYSA-N
-rxn:5:190743:223061:225980,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,GXQFYEFIBGUKTA-UHFFFAOYSA-N
-rxn:5:190743:225655:225849,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1cnc(N2CCCCC2)cc1F,ATIDLURMNZTPFI-UHFFFAOYSA-N
-rxn:5:190743:225976:226662,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCN(C)CC2)s1,UDMDEVBVIBNTNL-UHFFFAOYSA-N
-rxn:5:190744:223064:225833,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,YYNBMEDXIIOTIG-UHFFFAOYSA-N
-rxn:5:190744:225849:225633,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,HGZZBEGCBPQQGO-UHFFFAOYSA-N
-rxn:5:190744:226662:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,LCCMYVQWANECQZ-UHFFFAOYSA-N
-rxn:5:190797:226062:223018,CC(C)c1cc(-c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c3ccn(C(=O)OC(C)(C)C)c3c2)cc(C(C)C)c1,KWHCWHKAUKJKMO-UHFFFAOYSA-N
-rxn:5:190832:225834:226794,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCCC4)ncc3F)c(C)c2c1-c1cnc(N2CCSCC2)nc1,QNCCLMBZNDPCCO-UHFFFAOYSA-N
-rxn:5:190832:226437:225655,CCOC(=O)c1cnc2cc(C)c(-c3cc(C4CCCC4)ncc3F)c(C)c2c1-c1cncc(N2CCC(C)CC2)c1,QPDLQHUDSAXZNM-UHFFFAOYSA-N
-rxn:5:190859:223183:227048,CNS(=O)(=O)c1ccc(-c2ccc3c(c2-c2ccc(C(=O)C(C)C)cc2)CCN3C(=O)OC(C)(C)C)c(C)c1,VDGBNARTZPEGJB-UHFFFAOYSA-N
-rxn:5:190998:225982:227960,COC(=O)c1cc(-c2ccncc2C2CCC2)ccc1N1Cc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2OCC1=O,BWZXNPBXVRESQD-UHFFFAOYSA-N
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-rxn:4:173564:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(CCCO[Si](C)(C)C(C)(C)C)cc1,GDDKYDUGHRNPNL-UHFFFAOYSA-N
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-rxn:4:173716:223559,C#Cc1cc(OCC(=O)OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,XPAYYTBETFTMCF-UHFFFAOYSA-N
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-rxn:4:174131:223532,COC(=O)C(C)(C)COc1cccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,HOXVRIJLCOSQIF-UHFFFAOYSA-N
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-rxn:4:175936:224009,COc1ccc(-c2ccc(OCC3CCCC3)c(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1,PGGZZRCNDKCOOK-UHFFFAOYSA-N
-rxn:4:175981:222538,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,IADFWKRUTVTKLW-NAKRPHOHSA-N
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-rxn:4:176018:224061,CCCC1CCC(c2ccc(-c3cc(OC)c(OCC4CCCCC4)cc3F)c(F)c2)CC1,PPHLQGDKTXGRCW-UHFFFAOYSA-N
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-rxn:4:176293:223773,COc1cccc2cc(-c3ccc(C=C4Oc5cc(OC(=O)C(C)(C)C)ccc5C4=O)cc3)n(C(=O)OC(C)(C)C)c12,YWUKPANHGICGJJ-UHFFFAOYSA-N
-rxn:4:176313:222907,CC1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc(-c4ccncc4NC(=O)OC(C)(C)C)cc3)ccc2C1=O,TZEOAXJABULHBD-UHFFFAOYSA-N
-rxn:4:177057:223499,COC(=O)c1cc(C(C)=O)ccc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,XEMCRARDPLSADV-UHFFFAOYSA-N
-rxn:4:177327:223489,COc1ccc(C(C)=O)c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c1OC,BZYUPOQUNUKZOW-UHFFFAOYSA-N
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-rxn:4:178372:223753,Cc1ccc(-c2ccc(CC3CC(C(C)(C)C)CCC3=O)cc2)cc1OCCCN1CCN(C)CC1,GZMYHYRPDLNHFE-UHFFFAOYSA-N
-rxn:4:178384:227827,Cc1ccc(C2CC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,PXHDLIJBYCQXNF-UHFFFAOYSA-N
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-rxn:4:178474:223712,CCOC(=O)c1oc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c2c1CCCC2,NUMMWCINGGNIAO-UHFFFAOYSA-N
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-rxn:4:178516:223712,CCCOc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c2c1CCCC2,IDFZZJRMMGFOEM-UHFFFAOYSA-N
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-rxn:4:182374:223904,CC(=O)c1cc2c(cc1-c1cccc(C3CN(C(=O)OC(C)(C)C)C3)c1)C(C)(C)CCC2(C)C,NHQIFMMYXMZJRC-UHFFFAOYSA-N
-rxn:4:182376:224868,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(OCC5CCCCC5)c4)cc3C2=O)C[C@@H]1C,ROBWDYKWQCUDSE-CAKCGFARSA-N
-rxn:4:182396:222624,CC(C)Cc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CCNCC2)n1,BHDKLTGTMNZPQA-UHFFFAOYSA-N
-rxn:4:182881:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)S(=O)(=O)CC4=O)c2)CC1,UOCNMIJKDNWAHO-UHFFFAOYSA-N
-rxn:4:182978:223505,C=C1CCc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc21,GGYRBBYHYRZICV-UHFFFAOYSA-N
-rxn:4:183150:223697,CC1CS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2O1,XZBVPBSNNOSZOD-UHFFFAOYSA-N
-rxn:4:183253:222465,Fc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc2c1CC1(CC2)OCCO1,GMSLLIGTVZKNPC-UHFFFAOYSA-N
-rxn:4:183270:223580,COC(=O)c1ccc2c(c1)cc(-c1cc3c(cc1C)C(C)(C)CCC3(C)C)n2C(=O)OC(C)(C)C,OAZJQTQBLWEINK-UHFFFAOYSA-N
-rxn:4:183273:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCO2,RXHWTNUDQYWMJO-UHFFFAOYSA-N
-rxn:4:183274:228455,COc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(OC)n1,GFZBGRYNGPJCMI-UHFFFAOYSA-N
-rxn:4:183510:224250,CCOC(=O)Cc1cc(-c2cc(C(=O)N3CCCCC3C)ccc2F)c(C(F)F)cc1C#N,ZQPQKDSKTJSFLT-UHFFFAOYSA-N
-rxn:4:183544:225113,CCOC(=O)Cc1c(-c2cccc(C(=O)OOC(C)(C)C)c2)ccc(C#N)c1C(F)(F)F,KLGOAKSCULWQPQ-UHFFFAOYSA-N
-rxn:4:183549:224190,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1ccc(OC)c(O[Si](C)(C)C(C)(C)C)c1,ONWSXFCPQULNCL-UHFFFAOYSA-N
-rxn:4:183864:224653,COC(=O)CN1CCCC(COc2cccc(-c3ccc(Cl)cc3OCC3CCCCO3)c2)C1,HTWFTMLNGKMRSN-UHFFFAOYSA-N
-rxn:4:183880:223141,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cncc(C4CCNCC4)c3)cc2F)C1,SHOZTGICDSZBJM-UHFFFAOYSA-N
-rxn:4:183907:224397,CCCCN(C(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1)C1CCS(=O)(=O)C1,HLCQONNWNJBHIZ-UHFFFAOYSA-N
-rxn:4:183909:226560,CCOc1cc(F)c(-c2cc(OC3CN(C(=O)OC(C)(C)C)C3)ccc2OC)cc1OC,IIDKEIVBEDUZPU-UHFFFAOYSA-N
-rxn:4:183934:226429,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(N3CCCC(C)C3)s2)CC1,RTLJIRZTANVWIL-UHFFFAOYSA-N
-rxn:4:184013:223849,CCCCCc1ccc(-c2ccc(-c3ccc(COC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)cc1,AQRDIZNNMULLHH-UHFFFAOYSA-N
-rxn:4:184023:227754,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3c(Cl)cccc3C(F)(F)F)c2)CC1,JPIFNLWREJQFGY-UHFFFAOYSA-N
-rxn:4:184069:222499,COc1ccc(-c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,LOOXACPZJMKHDJ-UHFFFAOYSA-N
-rxn:4:184070:223123,COC(=O)C1(c2ccc(-c3ccc(NC(=O)C(C)C)cc3)cc2C)CCN(C(=O)OC(C)(C)C)C1,RQRPIZRXXCNRIN-UHFFFAOYSA-N
-rxn:4:184070:225504,CCCCn1cnc2cc(-c3ccc(C4(C(=O)OC)CCN(C(=O)OC(C)(C)C)C4)c(C)c3)ccc21,PKFREICROCDESD-UHFFFAOYSA-N
-rxn:4:184099:226214,COc1ccc2ccc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2n1,QRYSYGAHJSIBOV-UHFFFAOYSA-N
-rxn:4:184099:228002,CC(c1ccc(-c2sccc2C2CCCC2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,UMFVIJWAPQWDJG-UHFFFAOYSA-N
-rxn:4:184099:228976,CC(c1ccc(-c2ccc3c(c2)C=C3)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,JARIYWWEDOINFX-UHFFFAOYSA-N
-rxn:4:184118:224312,CN1CCN(C(=O)c2cc(-c3cc(OCCCCN4C(=O)c5ccccc5C4=O)ccc3Cl)ccc2F)CC1,JJPPVKPDFNIEGZ-UHFFFAOYSA-N
-rxn:4:184140:222623,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OCc2ccc([N+](=O)[O-])cc2)cc(C2CCNCC2)n1,CNHXWIHULDWCIS-UHFFFAOYSA-N
-rxn:4:184151:225997,CCOC(=O)c1c(S(C)=O)n(C2CC2)c2c(OC)c(-c3cnc(OCC)c(C(F)(F)F)c3)ccc2c1=O,DZJKLDWJDMHYBX-UHFFFAOYSA-N
-rxn:4:184218:226542,CCOC(=O)c1ccc(-c2ccc3c(C)c(C(=O)N(Cc4cccc(OC)c4)C4CCS(=O)(=O)C4)oc3c2)cc1F,IGMNSHGFSAUPNM-UHFFFAOYSA-N
-rxn:4:184277:225111,COc1ccc(-c2ccc(C#N)c(OC(C(F)(F)F)C(F)(F)F)c2)c(F)c1OCC(C)C,JWDQWJFMBCVPNY-UHFFFAOYSA-N
-rxn:4:184300:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cc(OCCC(F)(F)F)ccc2[N+](=O)[O-])c1,ADLPHTIABRYLQH-UHFFFAOYSA-N
-rxn:4:184532:223581,COC(=O)Cc1cc(OC)cc(-c2cc3cccc(C(=O)OC)c3n2C(=O)OC(C)(C)C)c1C#N,RBQYCZUFWWAFGT-UHFFFAOYSA-N
-rxn:4:184614:224251,CON(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)cc1OC(F)(F)F,FWJWSBPGMXHEJB-UHFFFAOYSA-N
-rxn:4:184652:223504,CCOC(=O)Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(C)cc1C#N,IIZABVQPESYGNV-UHFFFAOYSA-N
-rxn:4:184745:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)F)c2)cc1,PGIDGSMJPODQLI-UHFFFAOYSA-N
-rxn:4:184834:224369,CCN(CC)Cc1cc(-c2cc(S(=O)(=O)N(CC)CC)c(C)cc2F)cc(C(F)(F)F)c1,PIKNYJYQTLHFGZ-UHFFFAOYSA-N
-rxn:4:184888:225159,COC(=O)C1CN(Cc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)c(C(F)(F)F)c2)C1,KBZOOTGEAGECIU-UHFFFAOYSA-N
-rxn:4:185010:222545,CC(=NOC(=O)c1ccc(C)cc1)C(=O)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1,LALBVWOHSVEXDX-UHFFFAOYSA-N
-rxn:4:185091:224688,Cc1ccc(-c2ccc(CN3CCC(=O)CC3)c(Cl)c2)cc1OCCCN1CCOCC1,HABWIMLZAAAVFD-UHFFFAOYSA-N
-rxn:4:185133:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CC2CN(C(=O)OC(C)(C)C)C2)cc1,HUZRIISUAAIGEO-UHFFFAOYSA-N
-rxn:4:185140:224619,COC(=O)C1CCCN(CCc2ccc(F)c(-c3ccc(OCCN4CCCC4)c(F)c3)c2)C1,DRKFGTKVWMWJCD-UHFFFAOYSA-N
-rxn:4:185147:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1,IERSONFMPLMGRF-UHFFFAOYSA-N
-rxn:4:185148:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,CNVWZXQZSZHOPR-UHFFFAOYSA-N
-rxn:4:185159:223123,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccc(NC(=O)C(C)C)cc2)c1,NVLHYAURCGQLIV-UHFFFAOYSA-N
-rxn:4:185159:225342,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cc(C(=O)N(C)C)cc([N+](=O)[O-])c2)c1,QGBSUVBDZLZCDY-UHFFFAOYSA-N
-rxn:4:185200:226426,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)s2)c(CN2CCC(OC)CC2)c1,QTNZOVPOTMFHMR-UHFFFAOYSA-N
-rxn:4:185249:223600,COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Cl)cc23)cc(OC)c1CN1CCCCC1C(F)(F)F,XBWYLUAKOKSCIP-UHFFFAOYSA-N
-rxn:4:185374:223227,CC(NC1CC1)c1ccc(-c2ccc(CC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cc2)s1,DCSSTCNLRNSMCN-UHFFFAOYSA-N
-rxn:4:185380:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,YQTYFUNNHFYRPD-UHFFFAOYSA-N
-rxn:4:185383:225197,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cc(C(F)(F)F)c2)CC1,MJJQEXVLLIROJY-UHFFFAOYSA-N
-rxn:4:185397:224590,CC1CCN(Cc2ccc(-c3ccc(CC(=O)N4CCCC(S(=O)(=O)c5ccc(F)cc5)C4)cc3)c(F)c2)CC1,MMOCWFHSKZPMCA-UHFFFAOYSA-N
-rxn:4:185407:226518,COC(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)cc1C#N,FCXVCUMJYZNREF-UHFFFAOYSA-N
-rxn:4:185415:225607,CC(c1ccc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)s1)N1CCCCC1,XGSKZQCEWDLMFZ-UHFFFAOYSA-N
-rxn:4:185423:224110,COc1ccc(COc2cccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)cc1,CCKCWGLRAOXJBD-UHFFFAOYSA-N
-rxn:4:185491:222695,CON=CC(C)C(=O)c1ccc2c(-c3ccc(C)c(S(=O)(=O)NC4CCCC4)c3)c(OC)ccc2c1,NCQZFDVPOQTGJU-UHFFFAOYSA-N
-rxn:4:185511:224039,COC(=O)c1cc(-c2c(OCCC(C)C)ccc3ccccc23)c2c(c1)N(C(=O)OC(C)(C)C)CC2,XZXUVADXVXNCFF-UHFFFAOYSA-N
-rxn:4:185528:222694,O=S(=O)(CCN1CCc2ccccc2C1)Oc1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1,NUBHXAKVBRPCOW-UHFFFAOYSA-N
-rxn:4:185544:223816,COC1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cc2c(Cl)ccnc2n1COCC[Si](C)(C)C,MQGNTIIOZAMLKR-UHFFFAOYSA-N
-rxn:4:185569:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)C(=O)C(=O)N2CCOc1ccc(C(C)(C)C)cc1,RPFINZZXGYTGPD-UHFFFAOYSA-N
-rxn:4:185589:224690,COc1ccc(-c2ccc(CN3CCC(=O)CC3)cc2F)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,UFNSOHYSRCLPCB-UHFFFAOYSA-N
-rxn:4:185613:226236,CCCCOc1ncc(C)cc1-c1cc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)ccc1OC,QLFOYRIZLWHNOJ-UHFFFAOYSA-N
-rxn:4:185804:222439,COC(=O)Cc1cc(F)cc(C#N)c1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,QWYYFFJRJMFLEH-UHFFFAOYSA-N
-rxn:4:186077:223559,CCOC(=O)c1cnc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(OC)c1,DKTBLVROCZCVGG-UHFFFAOYSA-N
-rxn:4:186413:223497,CC(c1ccc(-c2ccc(OCc3ccccc3F)c(C#N)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,VSMRYMUVRJCMEF-UHFFFAOYSA-N
-rxn:4:186720:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(OC(F)F)cc(C(=O)N3CCCC3)c2)cc1,AWBWPPDJVRWKOI-UHFFFAOYSA-N
-rxn:4:186806:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(C(=O)N2CCOCC2)cc1OC(F)F,CVEIZZDFKSEHHG-UHFFFAOYSA-N
-rxn:4:186819:222725,CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)c(OC(F)(F)F)c2)c(C(F)(F)F)c1,SLDYLMZWFJVHGU-UHFFFAOYSA-N
-rxn:4:187012:225540,CC(C)COc1cc(-c2ccc(C(=O)N3CCCCC3)cc2OC(F)(F)F)ccc1C#N,ACIUDFAYQXGRDN-UHFFFAOYSA-N
-rxn:4:187076:223978,COc1cc(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)cc(OC)c1C(=O)N1CCCC1,IXVYUSRYMBEORW-UHFFFAOYSA-N
-rxn:4:187124:222748,CCOc1ccc(-c2cccc(C(=O)NCC3CCCO3)c2)cc1S(=O)(=O)N1CCOCC1,FMSNPULAQZICHH-UHFFFAOYSA-N
-rxn:4:187190:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,HTCGYULQKZPMIT-UHFFFAOYSA-N
-rxn:4:187213:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(F)c2)c(C(F)(F)F)c1,RVSXVLKYCFZTNL-UHFFFAOYSA-N
-rxn:4:187283:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CCC(COC)CC4)cc3)c(F)c2)CC1,INGHGOZTMKQCJK-UHFFFAOYSA-N
-rxn:4:187336:223993,COc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc(OC)c1C(=O)N1CCCC(F)(F)C1,QYQLSSUXAOYLMH-UHFFFAOYSA-N
-rxn:4:187374:225166,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)c2)CC1,KPPFJDGVNYCOBP-UHFFFAOYSA-N
-rxn:4:187396:222746,CN1C(=O)C(=Cc2cc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)ccc2OCc2ccc(Cl)cc2)SC1=S,PCMAQVTYTNWABM-UHFFFAOYSA-N
-rxn:4:187413:224585,CC1CCN(C(=O)c2ccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2)CC1,IYICFYMVTIKXFC-UHFFFAOYSA-N
-rxn:4:187415:223521,CC(c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,MVAKXEYYDUNZJX-UHFFFAOYSA-N
-rxn:4:187416:224349,CC(C)(C)OC(=O)N1CCCC1c1ccccc1-c1ccc(N2CCCCC2)c(C(F)(F)F)c1,AZYXHVUOWCBKCC-UHFFFAOYSA-N
-rxn:4:187420:222907,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccncc1NC(=O)OC(C)(C)C,RIEFZJAWZPUCQL-UHFFFAOYSA-N
-rxn:4:187427:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCCC(C)C4)c(C(=O)OC)c3)cc2)CC1,VLPGKOUYNSIVDN-FMWDMEFWSA-N
-rxn:4:187427:225047,COC(=O)c1cc(-c2cnc(N3CCC(C)CC3)c(C)c2)ccc1CN1CCCC(C)C1,ADEREOJNNJOMRW-UHFFFAOYSA-N
-rxn:4:187438:222933,Cc1cc(-c2cnc(NC(=O)OC(C)(C)C)nc2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,GCOSTSUEUMEZFH-UHFFFAOYSA-N
-rxn:4:187504:224247,CC1CCN(C(=O)c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c(F)c2)CC1,FEJPDCXERVWBNE-UHFFFAOYSA-N
-rxn:4:187543:224590,COc1cc(-c2ccc(CN3CCC(C)CC3)cc2F)cc(OC)c1CN1CCCC(C)C1,UWLVRXMAAPOYCV-UHFFFAOYSA-N
-rxn:4:187543:224880,COc1cc(-c2ccccc2CN2CCCCCC2)cc(OC)c1CN1CCCC(C)C1,ZNZKEAAORPMHKJ-UHFFFAOYSA-N
-rxn:4:187552:222730,CCCc1cc(-c2ccc(OCC)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)cc(C2CCNCC2)n1,RBNJOHXWJOPLJW-UHFFFAOYSA-N
-rxn:4:187597:225805,CC(c1ccc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)s1)N1CCOCC1,UOFOTGUMGCWBCV-UHFFFAOYSA-N
-rxn:4:187598:225587,O=C(c1ccccc1-c1cccc(CN2CCOCC2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,WSBNFRWMMGHOGW-UHFFFAOYSA-N
-rxn:4:187619:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccccc3-c3cccc(C(=O)N4CCC(C(F)(F)F)CC4)c3)c2)CC1,OURQVFROZVAHBU-UHFFFAOYSA-N
-rxn:4:187634:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)cc1,SKPAUXZIWIWJDR-UHFFFAOYSA-N
-rxn:4:187634:226520,COc1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)c(OC)c1OC,CECOBEQCGSXSAM-UHFFFAOYSA-N
-rxn:4:187648:225161,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccc(F)c(C(=O)N4CCCC4)c3)cc2)C1=O,ZIBSVMZZOIXYHW-UHFFFAOYSA-N
-rxn:4:187668:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc2)CC1,SEFLERCOOWYWIX-UHFFFAOYSA-N
-rxn:4:187673:223575,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,DWLAFGIPRDGCSH-UHFFFAOYSA-N
-rxn:4:187677:223858,COc1cc2c(cc1-c1ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc1)-c1ccccc1C2(C)C,BQAOVNSJHKARQE-UHFFFAOYSA-N
-rxn:4:187682:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(C(=O)c4ccc(CN5CCC6(CC5)OCCO6)cc4)c3)cc2)CC1,XZUTVRVUUVMVNJ-UHFFFAOYSA-N
-rxn:4:187687:224663,CN1CCN(Cc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)cc3)cc2F)CC1,RGJPANXCRNKUNX-UHFFFAOYSA-N
-rxn:4:187689:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)c4ccc(CN5CCC6(CC5)OCCO6)cc4)c(F)c3)c(F)cc2C)CC1,LDCMWDLTLJOJDR-UHFFFAOYSA-N
-rxn:4:187693:225217,CC1CCCN(c2cc(F)c(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,QDJZOQOAZKUPNV-UHFFFAOYSA-N
-rxn:4:187736:223559,CCOC(=O)Cc1ccc2ncc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2c1,XOTMYFDJDZZNRZ-UHFFFAOYSA-N
-rxn:4:187849:222647,Cc1cc(-c2cc(C(F)(F)F)cc3c2CCN3C(=O)OC(C)(C)C)c(C)cc1NC(=O)OC(C)(C)C,ZKHIRTXVOYFAEY-UHFFFAOYSA-N
-rxn:4:187896:222676,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cc(F)ccc1CNC(=O)OC(C)(C)C,VEIVXXQLTSIMDF-UHFFFAOYSA-N
-rxn:4:187916:227684,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cnn(CC2OCCO2)c1,CMAMXXMWNHIMEH-UHFFFAOYSA-N
-rxn:4:187945:223651,COC(=O)C1=Cc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)ccc2N(CC(C)C)CCC1,XAVPVQPBJOXRAO-UHFFFAOYSA-N
-rxn:4:187945:225881,COC(=O)C1=Cc2cc(-c3ccc(C4CCOCC4)nc3F)ccc2N(CC(C)C)CCC1,XZNZFEDMGVWSLF-UHFFFAOYSA-N
-rxn:4:187945:227119,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)cs3)ccc2N(CC(C)C)CCC1,VODWVWRARVNXLE-UHFFFAOYSA-N
-rxn:4:187945:227390,COC(=O)C1=Cc2cc(-c3ccnn3C3CCCCC3)ccc2N(CC(C)C)CCC1,VOZRPSJCFIOMBZ-UHFFFAOYSA-N
-rxn:4:187950:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)o2)CC1,ZRGACJOASQMMQX-UHFFFAOYSA-N
-rxn:4:187984:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1[nH]c2cc(C(=O)OC(C)(C)C)ccc2c1C1CCCCC1,FDNJQDPEBQSRIP-UHFFFAOYSA-N
-rxn:4:188012:224405,CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)c1,NPFXQEDWPAHWQD-UHFFFAOYSA-N
-rxn:4:188629:223659,Cc1ccc(OCC(F)(F)F)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,MOJNTOZVNDCEMZ-UHFFFAOYSA-N
-rxn:4:188820:223541,CCOC(=O)c1cnc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c(C)c1,PANPWTVSYUKGOJ-UHFFFAOYSA-N
-rxn:4:189090:222447,COc1ccc2c(c1-c1cc([N+](=O)[O-])ccc1OC1CCC1)N=C(NC(=O)OC(C)(C)C)C2,UTOBVPLALAEINO-UHFFFAOYSA-N
-rxn:4:189517:226426,CC1CCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CC(F)(F)C4)c3)s2)CC1,MTKHBAVPNUTQJR-UHFFFAOYSA-N
-rxn:4:189839:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(CN2CCCC2)c(C(F)(F)F)c1,GAGVPJJANWLCEK-UHFFFAOYSA-N
-rxn:4:189865:224400,COc1c(Cl)cc(C(=O)N2CCC(F)(F)C2)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,FQXRMLJGKCBDEC-UHFFFAOYSA-N
-rxn:4:189865:224826,CCOC(=O)c1cc(-c2cc(C(=O)N3CCC(F)(F)C3)cc(Cl)c2OC)cnc1C(F)(F)F,NDBFLKCRPRELLS-UHFFFAOYSA-N
-rxn:4:189927:222723,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,WWIDEUNWWNMTBB-UHFFFAOYSA-N
-rxn:4:190076:224366,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)c(F)c1)N1CCC(C(F)(F)F)CC1,LPFYWWPLTGNUIF-UHFFFAOYSA-N
-rxn:4:190153:225208,COc1c(Cl)cc(C(=O)N2CCC(F)CC2)cc1-c1cnc(N2CCCC(C)C2)nc1C,WVHWYTILNJXPPH-UHFFFAOYSA-N
-rxn:4:190164:223786,CN1CCN(CCCOc2ccc(-c3ccccc3S(=O)(=O)N3CCC(C(F)(F)F)CC3)cc2Cl)CC1,ZTXOEOUNCVLAFQ-UHFFFAOYSA-N
-rxn:4:190179:224690,O=C1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(F)(F)CC4)c(C(F)(F)F)c3)c(F)c2)CC1,OELAQKLLCGDBGY-UHFFFAOYSA-N
-rxn:4:190232:224760,CCC(=O)C1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2F)C1=O,GVQHWZICIAZYJD-UHFFFAOYSA-N
-rxn:4:190261:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC4CCN(C)CC4)cc3OC)c(F)c2)CC1,BDEUATMSNQIXTG-MEMLXQNLSA-N
-rxn:4:190266:222614,CC1CCCN(C(=O)Cc2cc(F)ccc2-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)C1,HEGDFFMOEMSNBG-UHFFFAOYSA-N
-rxn:4:190288:225179,CC1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3CN3CCOCC3)c(C(F)(F)F)c2)C1,JIYUSQLTVSKSTG-UHFFFAOYSA-N
-rxn:4:190312:222630,CC1CCCN(CCc2cc(F)ccc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)C1,BUDRTBLBBNVIPO-UHFFFAOYSA-N
-rxn:4:190317:223972,CC1CCCN(CCc2ccc(F)c(-c3ccc(N4CCCCC4C)cc3C(F)(F)F)c2)C1,DHIDADZDAAFUNP-UHFFFAOYSA-N
-rxn:4:190325:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(CN2CCCCC2)c(S(C)(=O)=O)c1,UZSHQBTXFFINLR-UHFFFAOYSA-N
-rxn:4:190354:225827,Cc1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,YQSCKUGLVVWCJQ-UHFFFAOYSA-N
-rxn:4:190433:225827,Cc1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,DFKMZDHZIMPRAL-UHFFFAOYSA-N
-rxn:4:190433:226395,Cc1cc(-c2cncc(N3CCCCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,APIJKHZXZZOHRU-UHFFFAOYSA-N
-rxn:4:190462:224656,COc1ccc(-c2ccc(C3CCCN3CC3CCOCC3)cc2)c(F)c1OC1CCCC1,IVALRVYPJHFPQM-UHFFFAOYSA-N
-rxn:4:190483:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1C(=O)N1CCC(c2ccccc2)S(=O)(=O)CC1,KFYSQWLXDROTJS-UHFFFAOYSA-N
-rxn:4:190487:225882,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1cnc(Cl)c(C2CCOCC2)c1,NTRRWXYWPFJJQO-UHFFFAOYSA-N
-rxn:4:190857:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2,BGINPCPCFDKRBV-UHFFFAOYSA-N
-rxn:4:190866:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)cc2[N+](=O)[O-])CC1,ZIRIUKIQOGKIDG-UHFFFAOYSA-N
-rxn:4:190927:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2=O,KRAJXYLQSOQKGG-UHFFFAOYSA-N
-rxn:4:190929:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4=O)cnc21,VSSHASDWYKJFFH-UHFFFAOYSA-N
-rxn:4:190972:226428,CC1CCCCN1c1csc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)c1,SERAXUAPLVIQGZ-UHFFFAOYSA-N
-rxn:4:190984:222718,CSC1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c1,OBQXZFITCXBVIG-UHFFFAOYSA-N
-rxn:4:191008:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c(C)c1,YOIBJQKYQSGKJQ-UHFFFAOYSA-N
-rxn:4:191008:224279,CC(C)(C)OC(=O)N1C(=O)c2cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)ccc2C1(C)C,PDIHQGMTJQPGIJ-UHFFFAOYSA-N
-rxn:4:191032:222403,CC(C)NC(=S)Nc1cccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,OAXPRUNTTZCYFB-UHFFFAOYSA-N
-rxn:4:191032:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)cc1,ARPUMEZQARRYEP-UHFFFAOYSA-N
-rxn:4:191038:224767,CC1c2ccc(-c3cccc(C(=O)N4CCOCC4)c3F)cc2CCN1C(=O)OC(C)(C)C,IQSSAPXMVLEADF-UHFFFAOYSA-N
-rxn:4:191039:222778,CC(C)(C)OC(=O)NCc1cncc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c1,RTHIOAFUXWDWKI-UHFFFAOYSA-N
-rxn:4:191039:223882,Cc1cccc2c1cc(-c1ccc3c(c1)C(C)(C)CN3C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C,VRNYTIIAZRNBFN-UHFFFAOYSA-N
-rxn:4:191040:224060,COc1c(C(C)(C)C)cc(-c2ccc3cc(OC(=O)N4CCCCCC4)ccc3c2)cc1C(C)(C)C,CNMWLXYXQCWHHT-UHFFFAOYSA-N
-rxn:4:191041:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,ALTDMUWGRKUYOP-UHFFFAOYSA-N
-rxn:4:191041:224773,Cc1cc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)ccc1S(=O)(=O)N1CCCC1,KXJGOAXKWCTNKF-UHFFFAOYSA-N
-rxn:4:191041:225439,CC(c1cccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)c1)N1CCCC1,WRXBJVUGONBSCI-UHFFFAOYSA-N
-rxn:4:191058:225665,COC(=O)C1CCN(C2CCc3cc(-c4ccc(Cl)cc4N4CCCCC4)ccc32)CC1,SFPKRKJIQHBGHE-UHFFFAOYSA-N
-rxn:4:191062:222442,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12,XXTQLMSICDJDOW-UHFFFAOYSA-N
-rxn:4:191062:223006,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(F)c(C2CCNCC2)c1,QKYMHWKHUOIJPE-UHFFFAOYSA-N
-rxn:4:191062:224986,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(N2CCCCC2)cc1C#N,LCGVTZLWLHAAHI-UHFFFAOYSA-N
-rxn:4:191062:226685,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCOCC2)nc1,QSQFAKORMMREMQ-UHFFFAOYSA-N
-rxn:4:191062:227437,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C2CCCO2)c1,HPUSHZIUOHXLQO-UHFFFAOYSA-N
-rxn:4:191087:223078,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(C)c1,VEKZFAIBYWAVEA-UHFFFAOYSA-N
-rxn:4:191089:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(C)C,NDIQHVNKBFTPSE-UHFFFAOYSA-N
-rxn:4:191090:222968,CC(C)CNC(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1,YEIUUEUWJGRQMU-UHFFFAOYSA-N
-rxn:4:191103:226988,COCCCc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,XWQGDSQSWFLXQG-UHFFFAOYSA-N
-rxn:4:191105:224596,COc1cc(N2CCCCC2C)ccc1-c1cccc2c1C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,HJEFJUIDYABYMZ-UHFFFAOYSA-N
-rxn:4:191105:225522,CCCCOc1cc(OC)cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,OTTZIYXMKWCPFR-UHFFFAOYSA-N
-rxn:4:191109:223900,COc1ccc(-c2ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,ZQYPSQSCQUVNCC-UHFFFAOYSA-N
-rxn:4:191123:226446,Cc1nc(C2CCOC2)ccc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,BQRBHRVBBWNGOI-UHFFFAOYSA-N
-rxn:4:191123:226912,Cc1cc(CC(C)C)cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,PGTOQFMYVJGSTH-UHFFFAOYSA-N
-rxn:4:191123:227116,Cc1c(Cl)cc(C2CC2)cc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,NQKOCPNUHSVJRJ-UHFFFAOYSA-N
-rxn:4:191127:225174,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc(F)cc3CN3CCOCC3)cc1O2,MGHOMLHQZDVMIK-UHFFFAOYSA-N
-rxn:4:191129:227101,Cc1cc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c(Cl)cc1C1CC1,TZDAILJHUBMQSJ-UHFFFAOYSA-N
-rxn:4:191195:226971,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc3c(c1)CCCOC3)c1c2CCC1,FEUUSLXDHCXKAA-UHFFFAOYSA-N
-rxn:4:191205:223753,Cc1ccc(-c2ccc3c(c2)C2c4sc(=O)n(Cc5ccccc5)c4SC(c4ccccc4)C2C(=O)O3)cc1OCCCN1CCN(C)CC1,UZMAXJRJRKDQMA-UHFFFAOYSA-N
-rxn:4:191206:227960,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4ccncc4C4CCC4)c3)C3=C(CCCC3=O)N1CC2,OHLABQVPHJHLJI-UHFFFAOYSA-N
-rxn:4:191266:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OC(F)F)cn3)cc2[N+](=O)[O-])CC1,VBYOBVZJWRPIPV-UHFFFAOYSA-N
-rxn:4:192285:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(OC4CCC4)n3)cc2)CC1,RSTDILMHVGFZAT-UHFFFAOYSA-N
-rxn:4:192820:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CC(F)(F)C4)ccc3F)c3ccccc23)CC1,PIMKJQKXCYNKET-UHFFFAOYSA-N
-rxn:4:192876:223597,COc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cnc1C1CCC1,DYYREEZXUJBAOZ-UHFFFAOYSA-N
-rxn:4:193235:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cc2)C1,BWGTYFDZSALXRW-UHFFFAOYSA-N
-rxn:4:193291:224770,Cc1cc(-c2ccc(N3CCCS3(=O)=O)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC2)c1,PAAODIPXSSQJIW-UHFFFAOYSA-N
-rxn:4:193368:223606,COc1cc(N2CCOCC2=O)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,MAXLVODVJZVIIN-UHFFFAOYSA-N
-rxn:4:193503:222720,Cc1c(-c2ccc(N3CCNCC3)cc2C(F)(F)F)ccc(S(C)(=O)=O)c1C1=NOCC1,RRXVOIKSYCNTTE-UHFFFAOYSA-N
-rxn:4:193518:222887,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCNCC3)c2)cc1,VGVYECPUGGXMHI-UHFFFAOYSA-N
-rxn:4:193518:223658,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc1,DSADENZTOIQTGB-UHFFFAOYSA-N
-rxn:4:193558:222598,Cc1cc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,IDBBLXCSIOTKBT-UHFFFAOYSA-N
-rxn:4:193697:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2C=CN(S(C)(=O)=O)CC2)cc1,SDFXSFQLZMPPHP-UHFFFAOYSA-N
-rxn:4:193746:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CC4)c(N4CCOCC4)c3)cc2)CC1,ABKCNYPRQCAJJD-UHFFFAOYSA-N
-rxn:4:193779:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C)c(C(=O)N4CCS(=O)(=O)CC4)c3)cc2)CC1,PNBHYUQGQPWEOU-HZCBDIJESA-N
-rxn:4:193931:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCCCC4C)c(C)c3)c(F)c2)CC1,QGHHVESNBXYCQV-UHFFFAOYSA-N
-rxn:4:193970:223698,O=S(=O)(c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)ccc1OC(F)(F)F)N1CCCC1,YOMPNRKMBRWCFO-UHFFFAOYSA-N
-rxn:4:193970:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cc2C1,SBMNTMKRVNVPTN-UHFFFAOYSA-N
-rxn:4:194275:222604,COc1ccc(-c2cc3c(cc2C=C[N+](=O)[O-])OCCO3)cc1S(=O)(=O)NC1CCCC1,SZZGUMFAWQQPSA-UHFFFAOYSA-N
-rxn:4:194626:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1)N1C2CCC1CC(F)C2,XJVLSINSGRRNDY-UHFFFAOYSA-N
-rxn:4:194674:222598,Cc1cc(-c2cc(CN3CCCC(F)(F)C3)cc3c2OCC3)cc(C)c1S(=O)(=O)NC1CCCC1,XMJSGJLNHWTMJK-UHFFFAOYSA-N
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-rxn:4:201621:224666,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(F)c(CN3CCN(C)CC3)c2)cc1,LQCVAKHXJOYECI-UHFFFAOYSA-N
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-rxn:4:201733:224663,COC(=O)c1cc(-c2ccc(CN3CCN(C)CC3)c(F)c2)nn1CC1CCCCC1,BLYMTNBRBGVEFC-UHFFFAOYSA-N
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-rxn:4:202043:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3C(=O)N3CCC(Oc4ncccc4Cl)CC3)ccc2F)CC1,JUFRZAJJNIVIHQ-UHFFFAOYSA-N
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-rxn:4:202202:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccccc1CN1CCOC(C(=O)N2CCOCC2)C1,HNIGRASIHQWKKS-UHFFFAOYSA-N
-rxn:4:202271:227166,CN1CCOc2cc(-c3ccccc3CN3CCCC(C(=O)N4CCOCC4)C3)ccc21,JVKVEGYESUJZIU-UHFFFAOYSA-N
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-rxn:4:202284:226349,COc1ccc(-c2cc(F)cc(OC(C)(C)C)c2)cc1CN1CCC(N2CCCC2)CC1,CGALNALTFNNVAC-UHFFFAOYSA-N
-rxn:4:202284:226355,COc1ccc(-c2cc(C3CC3)c(OC)cc2Cl)cc1CN1CCC(N2CCCC2)CC1,VCGTZSFOYNPKBO-UHFFFAOYSA-N
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-rxn:4:202293:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C2CC(C(C)(C)C)=NN2S(=O)(=O)c2ccccc2)cc1,DXVDXZHEYRCCIF-UHFFFAOYSA-N
-rxn:4:202344:222503,COc1cc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)ccc1-c1cc(F)cc(C(=O)NCc2ccc(F)cc2)c1,QIGOLZDHTSMOLG-UHFFFAOYSA-N
-rxn:4:202351:223813,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cc2)CC3)ccc1F,HMSJJVOTFHZSGK-UHFFFAOYSA-N
-rxn:4:202384:223534,CCOC(=O)c1nc2c(C(F)(F)F)cccn2c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,DEHRNBLEJYIYLO-UHFFFAOYSA-N
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-rxn:4:202564:228116,CC(C)Oc1ncccc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O,BTEFXMPWWHXJDS-UHFFFAOYSA-N
-rxn:4:202567:223927,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc3cccnc3n2COCC[Si](C)(C)C)cc1,WCPRSWMNUSUISU-UHFFFAOYSA-N
-rxn:4:202655:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2[nH]cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1,OOTALHASFOLPRF-UHFFFAOYSA-N
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-rxn:4:202675:223904,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)c2cccnc21,IJBSCAUYKSUJSJ-UHFFFAOYSA-N
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-rxn:4:203712:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,QAGFTQJILUAZFK-UHFFFAOYSA-N
-rxn:4:203712:225363,O=C(c1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cn1)N1CC(F)(F)C1,QKTXIWBRIOBKII-UHFFFAOYSA-N
-rxn:4:203712:225639,CC1CCN(c2ncccc2-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)CC1,NQNUVGXNJWJKGG-UHFFFAOYSA-N
-rxn:4:203923:224167,Cc1cc(N(C)CC2CCOCC2)ncc1-c1ccc(CN(C)C(=O)OC(C)(C)C)cc1,BVVONFNTKUEJKZ-UHFFFAOYSA-N
-rxn:4:203929:224285,Cc1cc(OC2CCN(C)CC2)c(-c2ccc(OCCN3CCOCC3)cc2F)cc1[N+](=O)[O-],NCGKYTWVERRMEL-UHFFFAOYSA-N
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-rxn:4:203967:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(N(C)C)CC3)c2)ccc1C,ZPLNERRAPCRBGU-UHFFFAOYSA-N
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-rxn:4:204075:222987,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)nc3C)cc2C)CC1,HEFNQABAYGNLNW-UHFFFAOYSA-N
-rxn:4:204115:223176,CS(=O)(=O)NCc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c1,HOULHSUCTHELAK-UHFFFAOYSA-N
-rxn:4:204118:222901,CCCS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)N2CCCN(C3CCSC3)CC2)cc1,QSTPJQZPIWNJMA-UHFFFAOYSA-N
-rxn:4:204134:223071,CCS(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,WOAXTCCYQNAXQO-UHFFFAOYSA-N
-rxn:4:204149:224188,CC1CCN(Cc2ccc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3Cl)cc2N2CCCC2)CC1,FPMLHMBHXRGFNJ-UHFFFAOYSA-N
-rxn:4:204150:226516,CCc1cc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc(C(=O)OC)n1,ARZIKZBJJNENMI-UHFFFAOYSA-N
-rxn:4:204157:224396,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,XXOWRDUMJSRPHY-UHFFFAOYSA-N
-rxn:4:204185:223674,Cc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C)c1-c1ccc(COc2cc(C(F)(F)F)ccc2Cl)cc1,CPEMWDGBFZWRBO-UHFFFAOYSA-N
-rxn:4:204321:223491,COC(=O)c1nc2c(C(F)(F)F)cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cn2c1Cl,GSGFYHYAYYCZPZ-UHFFFAOYSA-N
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-rxn:4:204551:225220,COC(=O)C1C2CCC1CN(c1nc(-c3cnc(N4CCCCC4C)c(Cl)c3)cs1)C2,SDINXVJHLOMXHI-UHFFFAOYSA-N
-rxn:4:204652:224615,O=C(c1cc2cc(-c3cccc(OCCN4CCOCC4)c3)ccc2[nH]1)N1CCC(C(F)(F)F)CC1,SXEHMLPATOBEJZ-UHFFFAOYSA-N
-rxn:4:204683:224969,Cc1cc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)ccc1C(=O)OC(C)(C)C,FQKQYNVCIFYIFP-UHFFFAOYSA-N
-rxn:4:204691:226715,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccc21,CDZBZZXFJQIEBS-UHFFFAOYSA-N
-rxn:4:204694:225653,CC1CCCCN1c1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)cn1,CTNUQEDKVREYTA-UHFFFAOYSA-N
-rxn:4:204764:226180,Cc1cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)cc(C2CCCC2)n1,NRHRFAFBXBBIEP-UHFFFAOYSA-N
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-rxn:4:204781:227412,CC(C)(C)c1cc(F)c(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cn1,MJRVQLKGRGCUBB-UHFFFAOYSA-N
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-rxn:4:204804:227381,O=C1CCC(=O)N1C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCCC2)nc1,UTGBNCAFLPVXRR-UHFFFAOYSA-N
-rxn:4:204806:226572,Cc1cccc(C(=O)N=C2SC3CS(=O)(=O)CC3N2c2cccc(-c3cnc(OC4CCCC4)nc3)c2)c1,OXAPMANGAYKULP-UHFFFAOYSA-N
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-rxn:4:206502:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(F)c(CN4CCOCC4)c3)c(F)c2)CC1,NNHXGYWRFKJSAE-MEMLXQNLSA-N
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-rxn:4:206999:223490,Cc1ccc(-c2cnc(OC3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LCUQVLRTIYTAAV-UHFFFAOYSA-N
-rxn:4:207030:223712,COc1ccc(-c2cccc(CC3CCCN(C)CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,IGEUCDKAJGUJHJ-UHFFFAOYSA-N
-rxn:4:207048:223728,CCCCCC1CCC(c2ccc(-c3cncc(CC4CCCN(C)CC4)c3)c(F)c2)CC1,DAOWPEWECKYVMB-UHFFFAOYSA-N
-rxn:4:207090:224665,CC1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)C2=O)CC1,URENWVICVVWAAT-UHFFFAOYSA-N
-rxn:4:207623:223992,Cc1ccc(-c2ccc(OC3CN4CCC3CC4)nc2)cc1S(=O)(=O)N1CCN(C)CC1,AXUQGXRBJSYGKZ-UHFFFAOYSA-N
-rxn:4:207818:222909,CCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccnc(NC(=O)OC(C)(C)C)c3)ccc21,SKTJYWPAODGBPH-UHFFFAOYSA-N
-rxn:4:207828:222673,O=C(NC1CCCCC1)c1ccc(Cl)c(-c2cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c2)c1,LGQXKRFOVKMFRS-UHFFFAOYSA-N
-rxn:4:207852:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(N2C(=O)N(c3ccccc3C)C3CS(=O)(=O)CC32)cc1,RVBZBTSKJSBRMO-UHFFFAOYSA-N
-rxn:4:207854:222998,Fc1cc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc(C2CCCNC2)c1,XXQJVMRMJZCWNU-UHFFFAOYSA-N
-rxn:4:207854:225221,CC1CCCN(c2cc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)c(F)cn2)C1,DQKFBNBCDIUBCH-UHFFFAOYSA-N
-rxn:4:207959:225634,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5)c(C)c4)ccc2OC3C2CCCCC2)cc1,MTENBWMAVNYXPN-UHFFFAOYSA-N
-rxn:4:207959:225832,Cc1ccc(C2=NN3C(C2)c2cc(-c4c(C)nn(C5CCCCO5)c4C)ccc2OC3C2CCCCC2)cc1,BEAAOUBXVTZKPX-UHFFFAOYSA-N
-rxn:4:209886:222465,Cc1cc(N2CCCCCC2)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,UTLFIWMZNTYYDG-UHFFFAOYSA-N
-rxn:4:209896:223953,COCCN1CCN(c2cc(F)cc(-c3cnn(C4CCOC5(CCOCC5)C4)c3)c2)CC1,UQVXCSXJSAAJEI-UHFFFAOYSA-N
-rxn:4:211060:222538,CN1CCN(C2CCCc3cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)ccc32)CC1,MYFPGHVGKNESPY-UHFFFAOYSA-N
-rxn:4:211060:224656,COc1ccc(-c2ccc3c(c2)CCCC3N2CCN(C)CC2)c(F)c1OC1CCCC1,DBQRNUUCYGNMOD-UHFFFAOYSA-N
-rxn:4:211097:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,XJIDBESSOMNNGM-UHFFFAOYSA-N
-rxn:4:211098:224758,O=C(c1ccc(-c2ccc3c(c2)C2CC(c4ccc(F)cc4)=NN2C2(CCCC2)O3)cc1Cl)N1CCOCC1,JSMFIKQEBQXWFA-UHFFFAOYSA-N
-rxn:4:211100:222856,COc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCC(C)CC1)O2,IMDDWYGGSRJNSI-UHFFFAOYSA-N
-rxn:4:212505:223776,CCN(CC)CCOc1cnc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cn1,GMRNSKUPHYIUJK-UHFFFAOYSA-N
-rxn:4:212520:224826,CCOC(=O)c1cc(-c2cnn(CCN(C)C(=O)OC(C)(C)C)c2)cnc1C(F)(F)F,ASDQIIIOGGEPFU-UHFFFAOYSA-N
-rxn:4:212528:224187,O=C(COc1ccccc1F)N1CC(Cn2cc(-c3ccc(OCCN4CCCCC4)cc3F)cn2)C1,YVPVEIRNTGAIIB-UHFFFAOYSA-N
-rxn:4:212547:225159,CCOCCN1CCC(Oc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cn2)CC1,GCKNNQKJAAVTMU-UHFFFAOYSA-N
-rxn:4:212570:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnn(CC3CN(CCCc4ccccc4)C3)c2)CC1,JRCSNVDDZRQYEH-UHFFFAOYSA-N
-rxn:4:212584:222945,CC(C)NS(=O)(=O)c1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)cc1F,QOXQEPXFDJENJJ-UHFFFAOYSA-N
-rxn:4:212606:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C(=O)CC(C)C)C2)nc1,GYKQZSFLBWCONN-UHFFFAOYSA-N
-rxn:4:212630:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)CC1,FOKDRNUHOVOHDF-UHFFFAOYSA-N
-rxn:4:212630:225177,O=C(c1cncc(-c2ccc(CN3CCSCC3)c(F)c2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,NCQZYCQPJYBKTR-UHFFFAOYSA-N
-rxn:4:212630:226753,COc1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c(C(F)(F)F)c1,UXQFWIBHQKXXDX-UHFFFAOYSA-N
-rxn:4:212647:226871,CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(-c2ccc(Cl)cc2OC(F)(F)F)cn1,SUYHSWGEEXZKHY-UHFFFAOYSA-N
-rxn:4:212650:224759,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,YVERUUZMSXVYNW-UHFFFAOYSA-N
-rxn:4:212664:222929,COc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cn2)CC1,DWCPELIXRKLTAD-UHFFFAOYSA-N
-rxn:4:212668:225638,CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(N4CCC(C)CC4)nc3)cn2)CC1,QONJGVYWHQINHE-UHFFFAOYSA-N
-rxn:4:212693:228797,COc1ccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1Cl,BUERCHCLYKGDFM-UHFFFAOYSA-N
-rxn:4:212697:222389,Cc1cccc(CS(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)C2)c1,LKVAXYFGFVNXIR-UHFFFAOYSA-N
-rxn:4:212732:224689,O=C(c1ccc(-c2ccc(S(=O)(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cn3)cc2)c(Cl)c1)N1CCCCC1,KTIAVEFTSRJNKY-UHFFFAOYSA-N
-rxn:4:212741:222706,CC1CN(Cc2ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,AWBDOJVNNZSGKT-UHFFFAOYSA-N
-rxn:4:212771:222730,CCCc1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4=COCCO4)sc3c2)cc(C2CCNCC2)n1,DJKODYPCZSBBMO-UHFFFAOYSA-N
-rxn:4:212775:226587,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cnc(OC4CCC4)cc3F)ccc21,CBXPNSMTDSTMJN-UHFFFAOYSA-N
-rxn:4:212872:222630,COCC(=O)N1CC(Cn2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)C1,HDDCCDCNDJPHAC-UHFFFAOYSA-N
-rxn:4:212936:223670,CC(=O)OCCN1CCN(c2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,GVSDAAKVNROWLI-UHFFFAOYSA-N
-rxn:4:212964:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1,KLFYLJNGIQJAMH-UHFFFAOYSA-N
-rxn:4:212967:222546,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,XKFBSRFSXHFQLZ-UHFFFAOYSA-N
-rxn:4:213011:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c2)CC1,REBGUQYCVNFTAK-UHFFFAOYSA-N
-rxn:4:213052:226263,Cc1ccc(-c2cnc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)nc2)cc1OCCCF,WPUGESJCKWRXSN-UHFFFAOYSA-N
-rxn:4:213053:223035,CC(C)(C)C(=O)Nc1ncccc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,XISKWZVJNYAGTI-UHFFFAOYSA-N
-rxn:4:213053:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OCC4CCCN(C(=O)C5CC(F)(F)C5)C4)nc3)cn2)CC1,KAKQERUZCAIUOC-UHFFFAOYSA-N
-rxn:4:213064:225167,O=C(c1cc(F)cc(-c2cncc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)c2)c1)N1CCCC1,HHPGCLVRRIAQLJ-UHFFFAOYSA-N
-rxn:4:213066:223388,O=C(c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,PFGPSRPJKBYDBD-UHFFFAOYSA-N
-rxn:4:213081:223131,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCNCC4)cc3)cc2C#N)CC1,ULAOYHPRBDNAIP-UHFFFAOYSA-N
-rxn:4:213092:223006,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3ccc(F)c(C4CCNCC4)c3)c2)CC1,ZVBSZCVKRPKPPN-UHFFFAOYSA-N
-rxn:4:213109:222807,O=C(NC1CC1)c1cc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4)CC3)nc2)cc([N+](=O)[O-])c1,ZOZCONZYTUFUCW-UHFFFAOYSA-N
-rxn:4:213113:222909,CC(C)(C)OC(=O)Nc1cc(-c2cnc(OC3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4)C3)nc2)ccn1,PTZVTLWJAHRQAH-UHFFFAOYSA-N
-rxn:4:213125:226645,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(N4CCOCC4)c3)n2)CC1,HMLHHDKUWIXAPL-UHFFFAOYSA-N
-rxn:4:213129:226654,COc1nc(-c2csc(N3CCC(C)CC3)n2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,AMGXARIVIHHQJQ-UHFFFAOYSA-N
-rxn:4:213132:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,ZYKZCZPJYXXEOO-UHFFFAOYSA-N
-rxn:4:213133:226212,CON=C1CCc2cc(-c3cnc(OCC4CCN(CC5CCCO5)CC4)nc3)ccc21,IBSDGZSVROPCLR-UHFFFAOYSA-N
-rxn:4:213138:226832,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccnc3OCC(F)(F)F)cnc2F)CC1,OSRHHQJQJMCDTN-UHFFFAOYSA-N
-rxn:4:213143:227684,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4OCCO4)c3)ccc2[N+](=O)[O-])CC1,DSSVMZBONVMBPE-UHFFFAOYSA-N
-rxn:4:213147:225829,CC1CCN(c2ncc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,DCYWOLHGEPPBKJ-UHFFFAOYSA-N
-rxn:4:213189:223503,COc1ccc(-c2noc(-c3ccc(=O)n(Cc4cccc(-c5c(F)cc(OC6CCN(C(=O)OC(C)(C)C)CC6)cc5F)c4)c3)n2)cc1,MUVLYTAGOYTNRQ-UHFFFAOYSA-N
-rxn:4:213192:223106,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCC(O)C4)nc3Cl)n2)CC1,KETZUGWEQLAKNR-UHFFFAOYSA-N
-rxn:4:213192:227986,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(Cl)c(C4CC4)c3)n2)CC1,SAEVSNDYVGIKLN-UHFFFAOYSA-N
-rxn:4:213198:222896,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3ccc(CNC(=O)OC(C)(C)C)s3)c2)nc1C,WLMHBCONRGIQHK-UHFFFAOYSA-N
-rxn:4:213216:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,YSNWAZKRUMLEMU-UHFFFAOYSA-N
-rxn:4:213217:225979,CCN1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2C(=O)OC(C)(C)C)CC1,UUSKXSNAWSTRCY-UHFFFAOYSA-N
-rxn:4:213221:224152,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(-c3cncnc3)cc(C(C)(C)C)c2)cc1[N+](=O)[O-],MZXWTFWTSAEHJH-UHFFFAOYSA-N
-rxn:4:213228:223242,CC1CN(S(=O)(=O)c2cncc(-c3ccnc(C4CCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,FOVQFICJMGEUKP-UHFFFAOYSA-N
-rxn:4:213248:222674,COc1ccc(-c2cccc(C(=O)NC3CCCCC3)c2F)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,XUHONWAHKCYAIX-UHFFFAOYSA-N
-rxn:4:213264:223076,O=C(Cc1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,XBEVJJQKJFUWAT-UHFFFAOYSA-N
-rxn:4:213274:222703,O=C(Cn1nc(-c2ccc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)cc2)ccc1=O)N1CCOC(c2ccccc2)C1,UJCGEHZFOHAKJN-UHFFFAOYSA-N
-rxn:4:213281:223111,CC(C)c1n[nH]c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c12,PQYSKBGLYBDSJM-UHFFFAOYSA-N
-rxn:4:213282:225284,CC(C)Cc1cc(-c2cccc(N3CC(C(=O)N4CCC(Oc5ccncc5)CC4)CC3=O)c2)cnc1C(F)(F)F,WUNLPTOHHLEDTI-UHFFFAOYSA-N
-rxn:4:213345:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnccc2OC2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)CC1,PZDQAMSCZAKCRH-UHFFFAOYSA-N
-rxn:4:213345:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1cnccc1OC1CCN(C(=O)Cn2c(=O)oc3ccccc32)C1,GJDRVLIWIOGMOM-UHFFFAOYSA-N
-rxn:4:213352:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(OC4CCN(C(=O)Cc5c[nH]c6ccccc56)C4)nc3)c2)CC1,ISHKKQWMZIOUGA-UHFFFAOYSA-N
-rxn:4:213450:222468,Cc1nc2ccc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,AODGLDKBSGXEHJ-UHFFFAOYSA-N
-rxn:4:213452:223670,CC(C)OCCCn1cnc2c([nH]c3ccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cc32)c1=O,WLZIJGZKJIHXCP-UHFFFAOYSA-N
-rxn:4:213480:225010,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(CN5CCCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OFDKAOQWGXVZSX-RDPIHECBSA-N
-rxn:4:213480:225160,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)N5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,BFSIDGCSAPZKFU-SIGULORKSA-N
-rxn:4:213480:225593,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(CN5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,SVOCGXVHLNWISM-IYYFJEEQSA-N
-rxn:4:213480:225641,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccnc(N5CCCC(C)C5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XJJNARLCPOYEIO-ASMMESSISA-N
-rxn:4:213543:223786,CCN(CC)c1c(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cncc1[N+](=O)[O-],IHTYBLCEHYUUEW-UHFFFAOYSA-N
-rxn:4:213580:222514,COc1ccc(-c2cnn(CC3CCN(CC(F)F)C3)c2)cc1S(=O)(=O)NC1CCCCC1,XVEAFKHWIQEDDQ-UHFFFAOYSA-N
-rxn:4:213653:226414,O=C(c1cncc(-c2ccc(C3=NCCCO3)cc2)c1)N1CC(CN2C(=O)COC2=O)C1,IMVHIPXBLFTTKE-UHFFFAOYSA-N
-rxn:4:213661:223508,CCOC(=O)C1CCN(c2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)CC1,QENKNSISUCZLAH-UHFFFAOYSA-N
-rxn:4:213690:224312,CN1CCN(C(=O)c2cc(-c3cnc(OC4CCN(C(=O)C5CCC5)C4)nc3)ccc2F)CC1,NVYVXYBEWOANCV-UHFFFAOYSA-N
-rxn:4:213693:225898,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cnn(CCN3CCOCC3)c2)cn1,AWAAKSHJRBHCNN-UHFFFAOYSA-N
-rxn:4:213715:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)C2)c1,JILCJUGEGDNVAX-UHFFFAOYSA-N
-rxn:4:213723:223945,CCN1CCN(C(=O)Cc2cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)c2)CC1,PCOMFEMLWFYASU-UHFFFAOYSA-N
-rxn:4:213755:224718,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(OCCN4CCOCC4)nc3)cs2)CC1,FGDAKVWTJDNFNL-UHFFFAOYSA-N
-rxn:4:213757:225805,CC(c1ccc(-c2cccc(CC3CCN(S(=O)(=O)N(C)C)C3)n2)s1)N1CCOCC1,QCWKVPORWLRMKI-UHFFFAOYSA-N
-rxn:4:213796:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3CCOCC3)C2)c1,YKFLJGQRZMGZPN-UHFFFAOYSA-N
-rxn:4:213800:225898,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnn(CCN3CCOCC3)c2)ncn1,JGHWMMAUOCZXQB-UHFFFAOYSA-N
-rxn:4:213803:225976,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccnc(N3CCOCC3)c2F)cn1,HZRKHJCKKVUDHO-UHFFFAOYSA-N
-rxn:4:213828:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1,YLBLSDHSWGCBQK-UHFFFAOYSA-N
-rxn:4:213828:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc(S(=O)(=O)N2CCCC2)c1,GYHNPWOEOLQKGM-UHFFFAOYSA-N
-rxn:4:213846:225260,CCN(CC)S(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)cc1,MDHFXHFXNZVSOX-UHFFFAOYSA-N
-rxn:4:213875:223043,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)n2)CC1,VAAKOWVTYIPNSX-UHFFFAOYSA-N
-rxn:4:213875:225898,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnn(CCN4CCOCC4)c3)n2)CC1,FOZCPMAKFOWLKE-UHFFFAOYSA-N
-rxn:4:213876:223076,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)NC4CC4)c3)nc2)CC1,XAOWWJGPENHXFY-UHFFFAOYSA-N
-rxn:4:213897:225875,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCOCC3)cc2Cl)CC1,SOHUUHGJCLQJMA-UHFFFAOYSA-N
-rxn:4:213910:223074,O=S(=O)(Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1)C1CC1,VFRYVEPGJNQRFU-UHFFFAOYSA-N
-rxn:4:213931:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCC4)C3)ccn2)CC1,QDKIRSZICHUVFR-UHFFFAOYSA-N
-rxn:4:213933:228490,O=S(=O)(F)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)c1,YUQIIKCQDXXJEC-UHFFFAOYSA-N
-rxn:4:213954:223955,O=C1C(N2CCC(Oc3ccncc3-c3ccc(SCc4ccccc4[N+](=O)[O-])cc3)C2)CCN1C1CC1,CBMAXIXLWSSUPS-UHFFFAOYSA-N
-rxn:4:213971:228402,COc1c(Cl)ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1F,XNQYOYZVFPIFGD-UHFFFAOYSA-N
-rxn:4:213971:229081,CN(C)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)s1,SCQKAAJKFGXKMI-UHFFFAOYSA-N
-rxn:4:213977:224248,CC1CCN(C(=O)c2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4C)n3)cc2Cl)CC1,NTHNRUZWZGSXLK-UHFFFAOYSA-N
-rxn:4:213991:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,DGAQJXLZGRYURN-UHFFFAOYSA-N
-rxn:4:214003:223017,COC(=O)c1cccc2cc(-c3cccnc3OC3CCN(C(=O)C4CC(=O)N(C)C4)CC3)[nH]c12,DREHKPJBRBKQHF-UHFFFAOYSA-N
-rxn:4:214003:224780,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3ccc(C4CCOC4)c(C(F)(F)F)c3)CC2)CC1=O,KYALPOZVEFTVOM-UHFFFAOYSA-N
-rxn:4:214027:225522,CCCCOc1cc(OC)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,WDCSEXWLVGUXEQ-UHFFFAOYSA-N
-rxn:4:214033:227056,COc1cccc(C2CC2)c1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,IDFVOJMQUGSLCQ-DHIUTWEWSA-N
-rxn:4:214049:226531,CCOC(=O)c1cc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCCCC3)c2)ccc1Cl,LUDKFKPAMWWZCP-UHFFFAOYSA-N
-rxn:4:214059:225898,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4cnn(CCN5CCOCC5)c4)cn3)CC2)C1,JKNWLWYDXJBFCY-UHFFFAOYSA-N
-rxn:4:214064:228140,CC(c1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)s1)N(C)C,MACXCTUEQOTOSI-UHFFFAOYSA-N
-rxn:4:214074:227656,Cc1nn(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)cs3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,GHAACDLQXSFNSE-UHFFFAOYSA-N
-rxn:4:214078:222967,CCN1CCN(Cc2ccc(-c3cccc(C(=O)NCC(C)C)c3)cc2N2CCCCC2)CC1,PFCOYHNCHWHFHO-UHFFFAOYSA-N
-rxn:4:214131:222426,CCOC(=O)c1nc2cnc(-c3ccccc3)cn2c1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,VLPGKXDTGVHEIW-UHFFFAOYSA-N
-rxn:4:214153:222899,CCCCNS(=O)(=O)c1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc1,LRAIWPJUFXUUNB-QGZVFWFLSA-N
-rxn:4:214180:223774,COc1cccc2c1cc(-c1ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c1)n2C(=O)OC(C)(C)C,IJHVPARIRKJPHT-UHFFFAOYSA-N
-rxn:4:214221:222913,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)cc2[nH]1,VMSBWPRRYSNCJR-QHCPKHFHSA-N
-rxn:4:214234:223041,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ncc(-c4cc(C(=O)NC5CC5)ccc4F)cc23)CC1,IZDMKTSCPKBDOK-UHFFFAOYSA-N
-rxn:4:214254:224161,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cnc21,CAQIYEOXZOBOHI-UHFFFAOYSA-N
-rxn:4:214322:224686,O=C(c1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)c(F)c1)N1CCCCC1,WEOBTHRLBQZTEQ-UHFFFAOYSA-N
-rxn:4:214347:222743,CC(c1ccc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc1)N1CCC(O)CC1,WLHUTWTXLIQRHG-UHFFFAOYSA-N
-rxn:4:214358:224059,COc1c(-c2ccc3nc(C)c(C4=NN(C(C)=O)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc(C(C)(C)C)cc1C(C)(C)C,ZLDNUCQNCXLSDB-UHFFFAOYSA-N
-rxn:4:214359:223568,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3c2-c2ccccc2)CC1c1ccc(F)cc1,PXBOZDWYAKNSNR-UHFFFAOYSA-N
-rxn:4:214361:223925,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(C)c(F)c(OCc5ccccc5)c4F)ccc32)CC1,VWSUWLHTZNBEMR-TUMHVKJDSA-N
-rxn:4:214627:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,VXFDLHYGRXIKOS-UHFFFAOYSA-N
-rxn:4:214627:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)cc2)CC1,VGZCKZXHJDNQAC-UHFFFAOYSA-N
-rxn:4:214627:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,LPQXNPIYRGRTBI-UHFFFAOYSA-N
-rxn:4:214627:224770,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)cc(S(=O)(=O)N2CCCC2)c1,SGAOYLYLTRPLEP-UHFFFAOYSA-N
-rxn:4:214627:224771,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCCC1,MCWSSBSYROSZRK-UHFFFAOYSA-N
-rxn:4:214679:225295,Cn1cc(-c2ccccc2S(=O)(=O)N2CCCC2)c(CN2CCC(C(F)(F)F)CC2)n1,LVLDENUDBXPMQU-UHFFFAOYSA-N
-rxn:4:214706:222723,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,OAUPHYKQFSFNMA-UHFFFAOYSA-N
-rxn:4:214712:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)N(C)C)nc1,RCNGBMVZPPASIU-UHFFFAOYSA-N
-rxn:4:214835:226471,CN(C)CCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cn1,GHNHOMOMGJLAHQ-UHFFFAOYSA-N
-rxn:4:214836:225709,CN(C)CCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,FFZIUZXSROTHQU-UHFFFAOYSA-N
-rxn:4:214836:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,UTANEWKIKOEFKL-UHFFFAOYSA-N
-rxn:4:214838:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1F,KPVWTMMWFJACDH-UHFFFAOYSA-N
-rxn:4:214854:224656,COc1ccc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)c(F)c1OC1CCCC1,LOAPSTZQOYAKLS-UHFFFAOYSA-N
-rxn:4:214866:224656,COc1ccc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c(F)c1OC1CCCC1,CPZHZONNQWYLLZ-UHFFFAOYSA-N
-rxn:4:214872:226554,CCCOc1cc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,CWIPCAVCYWYAMG-UHFFFAOYSA-N
-rxn:4:214874:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c(F)c2)CC1,FQXUNKXKICSEEN-SOHZNPICSA-N
-rxn:4:214888:226264,CCCCOc1ccc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)c(F)c1,TUMGPXOYRUHYNK-UHFFFAOYSA-N
-rxn:4:215054:222838,CC(C)(C)OC(=O)N1CCc2c(-c3ccc(CNC(=O)C(C)(C)C)cc3)ncn2C1=O,DHCIPVCIXDGDMU-UHFFFAOYSA-N
-rxn:4:215112:222584,CCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,VEVJFWGPJNVJRF-UHFFFAOYSA-N
-rxn:4:215153:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,IECUFLNQGLRDNO-UHFFFAOYSA-N
-rxn:4:215170:227978,CC(C)c1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,NWWCHHVMPJCWHR-UHFFFAOYSA-N
-rxn:4:215216:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)sc4c3)c(Cl)c2)CC1,SLBPALLPOBXTLS-UHFFFAOYSA-N
-rxn:4:215295:226115,CC(C)CC(=O)c1cccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1,CQGKVEKYXYTRIG-UHFFFAOYSA-N
-rxn:4:215361:223504,COC(=O)c1nnn(C)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,TXHVYLNPTGRZKV-UHFFFAOYSA-N
-rxn:4:215685:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnn(C4CCCCO4)c3[N+](=O)[O-])cc2)CC1,ZXIKOCRWCIBBRK-UHFFFAOYSA-N
-rxn:4:215735:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc([N+](=O)[O-])cnc1N1CCOCC1,FSQJZYVQAPJVFP-UHFFFAOYSA-N
-rxn:4:215786:223712,COc1ccc(-c2cnc(N3CCCC(CF)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,RKGUVIOELBWABI-UHFFFAOYSA-N
-rxn:4:215828:223489,CC1CN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2[N+](=O)[O-])CCO1,DUZPZCIDGCNOEF-UHFFFAOYSA-N
-rxn:4:215897:222442,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12,XOYVTKVZBDAJJV-UHFFFAOYSA-N
-rxn:4:215898:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)c2)CC1,AGNIJQZFTZYSES-UHFFFAOYSA-N
-rxn:4:215908:224317,CN1CCN(C(=O)c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)c(F)c2)CC1,HFJRSHLJJUBRIV-UHFFFAOYSA-N
-rxn:4:215911:222793,CN1CCN(c2cc(-c3cccc(NC(=O)OC(C)(C)C)c3F)c(F)cc2[N+](=O)[O-])CC1,GRKLZMVPHSLSLN-UHFFFAOYSA-N
-rxn:4:215914:224376,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,IDYNGCTWPLLGSV-UHFFFAOYSA-N
-rxn:4:215914:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,LJHCRQOLFQKHHG-UHFFFAOYSA-N
-rxn:4:215945:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2)CC1,RQGXUPKVYLUQOX-UHFFFAOYSA-N
-rxn:4:216231:224569,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1cc(F)cc(OCC2CCCCC2)c1,TUUXTIRAHOAXFK-UHFFFAOYSA-N
-rxn:4:217139:223777,Cc1nc(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cnc1N1CCC(F)(F)C1,JUCADUQYAAHNGU-UHFFFAOYSA-N
-rxn:4:217167:223490,Cc1ccc(-c2cncc(C3CCCN(C)C3)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ICGMXCUUUNMFEK-UHFFFAOYSA-N
-rxn:4:217874:223844,Cc1nn(C2CCS(=O)(=O)C2)c2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc12,UWPKNTQFTWESTL-UHFFFAOYSA-N
-rxn:4:217905:226174,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCCC5)nc4)ccc2OC32CCN(C)CC2)o1,ULUKSAAKEIRPAB-UHFFFAOYSA-N
-rxn:4:218600:225875,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,KYORLGPZDZCCSM-UHFFFAOYSA-N
-rxn:4:218606:224326,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)c(C)c3)cn2)C1,GMDDGYYDVAUIHD-UHFFFAOYSA-N
-rxn:4:218655:225106,CCN(CC)C(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)c4cn(C)c(=O)cc4OC)CC3)nc2)cc1Cl,FLJOYMQSUOSSPB-UHFFFAOYSA-N
-rxn:4:218655:226477,CCCCOc1ncc(Cl)cc1-c1cnc(OCC2CCN(C(=O)c3cn(C)c(=O)cc3OC)CC2)nc1,PPHSLSBRHNPFOF-UHFFFAOYSA-N
-rxn:4:218656:225166,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCCC4)c(F)c3)cn2)C1,WZCRWKBIQQNIKP-UHFFFAOYSA-N
-rxn:4:218665:225126,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(F)ccc4OCC4CCCO4)cn3)C2)c1,SIWASNNAEDQLFZ-UHFFFAOYSA-N
-rxn:4:218691:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(-c2cc(N3CCCN(C(=O)COc4ccc(F)cc4)CC3)[nH]n2)cc1,OGFGTPFRLGBHAS-UHFFFAOYSA-N
-rxn:4:218711:227635,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4ccco4)nc3)CC2)CC1,FIRVEMUGMOLVLW-UHFFFAOYSA-N
-rxn:4:218711:228352,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-n4cccn4)s3)CC2)CC1,XLBVCNMWBWDXOR-UHFFFAOYSA-N
-rxn:4:218711:229170,Cc1nc(Cl)ncc1-c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1,YXMVGBSFADNSAJ-UHFFFAOYSA-N
-rxn:4:218755:227696,COC(=O)c1ccc(-c2cc3c(s2)c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n3CC#N)c(F)n1,OXLNLBGSTZHPPH-UHFFFAOYSA-N
-rxn:4:218831:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c(F)c2)CC1,MOTKTAONVNGFAC-UHFFFAOYSA-N
-rxn:4:218867:224890,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CC4)cc(N4CCCC4)c3)c2)no1,VKFRYHOBQUGADW-UHFFFAOYSA-N
-rxn:4:218867:225634,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCCC4)c(C)c3)c2)no1,CQNMEQABQJQRMQ-UHFFFAOYSA-N
-rxn:4:218868:225831,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)c(C)c3)cc2)no1,CEUFOVLWOAMDAG-UHFFFAOYSA-N
-rxn:4:218885:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5scnc5C)CC4)nc3)c(F)c2)CC1,MTGRXLSGNFKKKV-ALOJWSFFSA-N
-rxn:4:218912:224022,Cc1oncc1CN1CCCC(COc2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cn2)C1,BQLXDVMXBXLYGQ-UHFFFAOYSA-N
-rxn:4:218915:223828,CCN1CCN(c2cc(-c3cnc(OCC4CCCN(Cc5csc(C)n5)C4)nc3)cc(C(F)(F)F)c2)CC1,TXSJXKIRNVBGAV-UHFFFAOYSA-N
-rxn:4:218943:222471,COC(=O)c1ccc(NCc2ccccc2-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1,AXLLAUJUXHHQQH-UHFFFAOYSA-N
-rxn:4:218944:227445,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(C4CCC4)c3)cc2[N+](=O)[O-])CC1,FXDLYSKNKLBCQL-UHFFFAOYSA-N
-rxn:4:218945:225809,CC(C)(C)OC(=O)N1CCN(c2c(-c3cc(F)ccc3OC3CCOC3)cncc2[N+](=O)[O-])CC1,RITIMZAWYWPNMF-UHFFFAOYSA-N
-rxn:4:218965:224303,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(O[Si](C)(C)C(C)(C)C)c(F)c1F,ACQMEZWEHXPRCF-UHFFFAOYSA-N
-rxn:4:218972:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c(Cl)c2)CC1,QYDALDFTQDYRAT-UHFFFAOYSA-N
-rxn:4:218991:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,YWYMYZBRUOQYRT-UHFFFAOYSA-N
-rxn:4:218992:223180,CONC(=O)c1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cc1F,ZOOILOQRXLKRMW-UHFFFAOYSA-N
-rxn:4:218992:226232,CN(C)CCOc1cccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1,RAXFWZPZSYBANA-UHFFFAOYSA-N
-rxn:4:218997:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OCC2CCCN(Cc3c(C)noc3C)C2)nc1,VVNOEZVLGCJUTA-UHFFFAOYSA-N
-rxn:4:219011:224265,CN(c1cnc(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,RBROPYSRGMGMPI-UHFFFAOYSA-N
-rxn:4:219061:228294,CCCOc1ncc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)cn1,BALHOXXDQQHXEG-UHFFFAOYSA-N
-rxn:4:219096:225219,CC1CCCCN1c1cc(F)c(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)cn1,MDENRBCPXYFWBN-UHFFFAOYSA-N
-rxn:4:219143:224713,CCCCOc1ccc(-c2ccccc2CC(=O)N(C)C2CN(c3cc4c(nn3)CCC4)C2)c(C(F)(F)F)c1,CTMYWHZMRZMFSC-UHFFFAOYSA-N
-rxn:4:219182:223176,COc1ccc(-c2cccc(CNS(C)(=O)=O)c2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,LLOVCGDIHANLHQ-UHFFFAOYSA-N
-rxn:4:219354:222773,CN(C1CCN(c2ncc(-c3ccc(C(=O)NC4CCOCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,GWGHBIBTDGWVCK-UHFFFAOYSA-N
-rxn:4:219388:225059,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)c(Cl)c2)CC1,TWRMHTMKQKFYIS-UHFFFAOYSA-N
-rxn:4:219407:222634,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,WFCYWGYJMOIBAJ-UHFFFAOYSA-N
-rxn:4:219436:225515,CC1(C)COc2cccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C#N)c3)c2OC1,QCLRFOPQWNNKLD-UHFFFAOYSA-N
-rxn:4:219451:226231,CCCCOc1ncc(-c2cn(C)nc2C(=O)N2CCCN(CC3CC3)CC2)cc1C,DOUBNLVCEQRTTR-UHFFFAOYSA-N
-rxn:4:219471:226734,CSc1ncc(-c2cccc(S(=O)(=O)N(C)C)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,FGWVXVTURZRFBI-UHFFFAOYSA-N
-rxn:4:219477:224883,CC(c1ccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1)N1CCCCC1,AOFCVRJEEKGVBS-UHFFFAOYSA-N
-rxn:4:219485:223481,COc1ccc(-n2nnc(-c3nc(-c4ccc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5F)cc4)cs3)c2C)cc1,ZJHDBOGZLDOLRF-UHFFFAOYSA-N
-rxn:4:219501:228206,CSc1ncc(-c2cc(F)cc(N(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,MXYULTJYDFHVQG-UHFFFAOYSA-N
-rxn:4:219506:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc1,IGVSAWQZJIZTQP-UHFFFAOYSA-N
-rxn:4:219516:223056,CN1CC(CN2CCC(Oc3ncc(-c4ccc(N5CCC(O)CC5)nc4)cn3)CC2)CC1=O,ZODHBHIRKCSFLJ-UHFFFAOYSA-N
-rxn:4:219516:225947,CN1CCN(c2ncc(-c3cnc(OC4CCN(CC5CC(=O)N(C)C5)CC4)nc3)cn2)CC1,AQYIGUAQNITTAL-UHFFFAOYSA-N
-rxn:4:219532:223186,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cnn(C2CCCCO2)c1,LBOKGBMMKKTFDW-UHFFFAOYSA-N
-rxn:4:219533:224299,CSc1ncc(-c2cc([N+](=O)[O-])ccc2[Se]c2ccccc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,HWFGLGNBPGCAMV-UHFFFAOYSA-N
-rxn:4:219559:227464,CCCCSc1ncc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)o2)cn1,DHDDOXFXHCGBER-UHFFFAOYSA-N
-rxn:4:219653:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1,GDYXLJNWXFPMNA-UHFFFAOYSA-N
-rxn:4:219653:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,GCNZGYYXEUQXDI-UHFFFAOYSA-N
-rxn:4:219653:225709,CN(C)CCCOc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cn1,RBDRZIFPMPIKCB-UHFFFAOYSA-N
-rxn:4:219654:224196,CCN1CCN(Cc2cc(F)cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,NMXZKXCYDVFEMP-UHFFFAOYSA-N
-rxn:4:219654:224670,CN1CCN(Cc2ccc(F)c(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,BPLVPXKRLYPYGW-UHFFFAOYSA-N
-rxn:4:219654:224672,CCN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c(Cl)c2)CC1,DIAHIWLJQHBHLC-UHFFFAOYSA-N
-rxn:4:219654:224757,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(Cl)cc(C(=O)N5CCOCC5)c4)cc23)CC1,DCYDRMVISHKILW-UHFFFAOYSA-N
-rxn:4:219660:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CC(n5c(C6CC6)nc6ccccc65)C4)c3)cc2)CC1,BONNTLNUCWMZOP-UHFFFAOYSA-N
-rxn:4:219707:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(OCCN5CCOCC5)nc4)c(Cl)cc23)CC1,DIHIZBXPEVXKQS-UHFFFAOYSA-N
-rxn:4:219759:225674,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(C5CCCCC5)cc4F)cc2)OC3)CC1,FYSNDUDZJIDWAT-UHFFFAOYSA-N
-rxn:4:219784:223570,CCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,CKBDKSDNXZXXTM-UHFFFAOYSA-N
-rxn:4:219868:224659,CCN1CCN(c2c(-c3cccc(C(=O)N4CCN(C)CC4)c3)cncc2[N+](=O)[O-])CC1,XGGPCRQJVJPVCF-UHFFFAOYSA-N
-rxn:4:219874:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3S(=O)(=O)N3CCC(n4ccnn4)C3)ccc2C)CC1,GZWHEJKUUUTYOF-UHFFFAOYSA-N
-rxn:4:219880:222905,CSc1ncc(-c2cccnc2NC(=O)OC(C)(C)C)c(N2CCN(S(C)(=O)=O)CC2)n1,HIWQMFMOTGCPFY-UHFFFAOYSA-N
-rxn:4:219904:224459,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cn2)CC1,ZXZJKNMTOXMPIX-UHFFFAOYSA-N
-rxn:4:219937:224373,COc1ccc(-c2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)cc1S(=O)(=O)N1CCCC1,GCBGVIJJANKNTP-UHFFFAOYSA-N
-rxn:4:219975:223092,CN(C)S(=O)(=O)Nc1cccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1,VQTMMYXLRXPXHJ-UHFFFAOYSA-N
-rxn:4:220149:223227,CC(NC1CC1)c1ccc(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)s1,LWNIKNXPCMBFSW-UHFFFAOYSA-N
-rxn:4:220159:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)ccc2C)CC1,HZHJXYJUPYGEDE-UHFFFAOYSA-N
-rxn:4:220205:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)ncc2c1,STSXAHMQGAOULR-UHFFFAOYSA-N
-rxn:4:220226:225525,CCOC(=O)CCc1ccccc1-c1ccc2nc(N3CCCC(C(=O)N4CCOCC4)C3)ncc2c1,IXMOIEKCZOARDY-UHFFFAOYSA-N
-rxn:4:220396:224728,COc1cc(-c2cnc(N3CCN(C)C(=O)C3)c([N+](=O)[O-])c2)c(C(=O)OC(C)(C)C)cn1,OTVZUXUHQINKDM-UHFFFAOYSA-N
-rxn:4:220415:224064,CC1CCCCN1c1cc(-c2cnc(N3CCN(C4CCC4)CC3)nc2)cc(C2CC2)c1,BCSLYOQIPSSZLX-UHFFFAOYSA-N
-rxn:4:220429:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c(Cl)c2)CC1,OCHJEFMSVOUURY-UHFFFAOYSA-N
-rxn:4:220533:225227,CC1CCN(c2ncc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2Cl)CC1,UQQTXYABYGASAC-UHFFFAOYSA-N
-rxn:4:220534:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4=Nn5c(nnc5C5CCCCC5)SC4)cc3)cn2)CC1,APPFCRVGQUDGMR-UHFFFAOYSA-N
-rxn:4:220558:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc4c(s3)-n3c(nnc3C3CCCCC3)CN=C4c3ccccc3Cl)c(F)cn2)CC1,ZOOGDQNPQVGBHW-UHFFFAOYSA-N
-rxn:4:220714:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nnn(C(C)(C)C)n3)cc2[N+](=O)[O-])CC1,FFIDFBICRXVIFW-UHFFFAOYSA-N
-rxn:4:221087:222769,CN(C(=O)Cc1ccccc1-c1ccc(C(=O)NC2CCCC2)c(F)c1)C1CN(c2nccnc2C#N)C1,JBXTUHLRORRSCJ-UHFFFAOYSA-N
-rxn:4:221087:223892,CN1CCN(CCCOc2ccc(-c3ccccc3CC(=O)N(C)C3CN(c4nccnc4C#N)C3)cc2)CC1,KHRQTUSRWIQRBU-UHFFFAOYSA-N
-rxn:4:221090:224424,CCCC1CCC(c2ccc(-c3cnn(Cc4nc(N5CCCC5)ncc4C(=O)OCC)c3)cc2)CC1,HITBVLSUFKVZNB-UHFFFAOYSA-N
-rxn:4:221098:223798,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(COc5cccc(C(F)(F)F)c5)cc4)cn3)CC2)c(C(F)F)n1,PVKFKQUZBSMMLX-UHFFFAOYSA-N
-rxn:4:221114:227126,CCOc1ccc(-c2ccc(C3CCOC3)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,XDUDWGPEVXMVND-UHFFFAOYSA-N
-rxn:4:221121:222958,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C1CCNCC1,ZZIARYUGJHFBPW-UHFFFAOYSA-N
-rxn:4:221169:222819,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(NC(=O)N5CCOCC5)nc4)cn3)C2)cn1,KPOACFFIJNVZDZ-UHFFFAOYSA-N
-rxn:4:221204:223040,O=C(NC1CC1)c1ccc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1F,CQVDBWNLYMRMRU-UHFFFAOYSA-N
-rxn:4:221206:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)c1,NHIYOZQFVSFCHZ-UHFFFAOYSA-N
-rxn:4:221230:222612,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)C1)CCC2,KXGDELLAEPHVQL-UHFFFAOYSA-N
-rxn:4:221232:222584,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C1)CCOC2,SVGJVUBOFPVQRN-UHFFFAOYSA-N
-rxn:4:221232:225724,CN(C)CCOc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)cc1F,LKRIRVHKVZERDJ-UHFFFAOYSA-N
-rxn:4:221233:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)cn6n5)CC4)c3)c2)CC1,RDCQXISBTCEIDP-UHFFFAOYSA-N
-rxn:4:221245:224666,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(F)c(CN6CCN(C)CC6)c5)c4)CC3)nn2c1C,LAVVLXYLOGJKRM-UHFFFAOYSA-N
-rxn:4:221313:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cncc(C(=O)N4CC(S(=O)(=O)c5nncn5C)C4)c3)c2)C1,AZQMBMIAXJDDQO-UHFFFAOYSA-N
-rxn:4:221403:222465,CN(C)c1ccnc(N2CCN(Cc3ccccc3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)CC2)n1,BWWYGJVHZXCEPG-UHFFFAOYSA-N
-rxn:4:221422:226997,CCCOc1cc(C)cc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,YLDNNPBUIALCIZ-UHFFFAOYSA-N
-rxn:4:221425:224489,CC(C)N(Cc1ccc(F)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1)C(C)C,SSXJWQPKJGMKGZ-UHFFFAOYSA-N
-rxn:4:221449:223279,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YHSNBDHWKFOOHY-UHFFFAOYSA-N
-rxn:4:221449:223285,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4NS(C)(=O)=O)cc3)CC2)n1,SHKHKDMTTGUOJA-UHFFFAOYSA-N
-rxn:4:221455:222438,O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)c1,KLZPKKNOOFWXFD-UHFFFAOYSA-N
-rxn:4:221456:228486,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc([N+](=O)[O-])c4)cc3)CC2)n1,VSFOLOYCCBQBRG-UHFFFAOYSA-N
-rxn:4:221498:224668,CCN1CCN(c2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,CDDNOUDCPGAWRG-UHFFFAOYSA-N
-rxn:4:221498:225098,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCN5CCCC5)nc4)c23)CC1,UZKKQTHLVHFBOX-UHFFFAOYSA-N
-rxn:4:221507:224372,O=C(c1cc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)cc([N+](=O)[O-])c1)N1CCCC1,YKPPURGVPQYGBT-UHFFFAOYSA-N
-rxn:4:221520:225318,Fc1cc(N2CCOCC2)cc(F)c1-c1cnc(N2CCC(COc3cc4c(nn3)CCCC4)CC2)nc1,RRKIQFZESPPALC-UHFFFAOYSA-N
-rxn:4:221528:222889,CC(C)c1sc(-c2cc(F)cc(CN3CCNCC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,CORZQTOQPSEFPX-UHFFFAOYSA-N
-rxn:4:221625:223492,Cc1cc(-c2cnc(N3CCC(Cn4cnccc4=O)CC3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GAFMDMSHGKNKHS-UHFFFAOYSA-N
-rxn:4:221641:222584,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,YODCNDQEJUMQDV-UHFFFAOYSA-N
-rxn:4:221644:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(N5CCCC(N(C)c6ncc(C)cn6)C5)nc4)c3C(=O)C1C2(C)C,JFSGFTZFCQZXOL-UHFFFAOYSA-N
-rxn:4:221726:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,XOHQKEJJBKFXFE-UHFFFAOYSA-N
-rxn:4:221726:225916,COC(=O)c1cc(OC)c(F)c(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c1,HHATYZCOMNBZRR-UHFFFAOYSA-N
-rxn:4:221920:223058,CCOc1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,GMZNVUXLEOAPOR-UHFFFAOYSA-N
-rxn:4:221934:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OC4CCN(CCn5nccn5)CC4)nc3)cn2)CC1,CJJMZPYTAHWOBU-UHFFFAOYSA-N
-rxn:4:221961:222546,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)CC3)nc2)cn1,VVECWZQSHNECPY-UHFFFAOYSA-N
-rxn:4:221965:223242,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(C6CCNC6)c5)cc4)CC3)nn2)CC1,GAAZGUUOHCNTAF-UHFFFAOYSA-N
-rxn:4:221978:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)c(F)c2)CC1,QYFDQVLHDMJJRC-UHFFFAOYSA-N
-rxn:4:222030:223754,CC1CCN(CCCOc2ccc(-c3cnc(N4CCN(c5nccc(N(C)C)n5)CC4)c(C(F)(F)F)c3)cc2Cl)CC1,SFAIVHBSTLMAJI-UHFFFAOYSA-N
-rxn:4:222062:228615,CSc1ccc(C)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,TZXLGDNPKVSFDM-UHFFFAOYSA-N
-rxn:4:222062:228616,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C)c1,GDLCLLKZMNNWKM-UHFFFAOYSA-N
-rxn:4:222062:228621,CSc1cc(C)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,MCWLNDSWMXLGSQ-UHFFFAOYSA-N
-rxn:4:222062:228801,CSc1cc(F)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,XFRLVNUEJZODEZ-UHFFFAOYSA-N
-rxn:4:222062:228808,CSc1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,JRTWDCGBBDSXAQ-UHFFFAOYSA-N
-rxn:4:222062:228824,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)c1,XAWZYEGJGXSSTR-UHFFFAOYSA-N
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-rxn:5:178467:223241:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(C4CCNC4)c3)c2OC1,JWDBDKNKUQTFTR-UHFFFAOYSA-N
-rxn:5:178467:223294:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3csc(N4CCNCC4)n3)c2OC1,OVRSICSTQPOQLW-UHFFFAOYSA-N
-rxn:5:178467:225639:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3cccnc3N3CCC(C)CC3)c2OC1,OMHPBZPZTIBADP-UHFFFAOYSA-N
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-rxn:5:178467:226326:227626,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOC4)nc3)cc(-c3cccc(C4(C#N)CC4)c3F)c2OC1,DDUHBLSPQZDAHT-UHFFFAOYSA-N
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-rxn:5:178467:227371:225498,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3ccc(C)c(OC)c3OC)c2OC1,CKFRYRYAEVJMLZ-UHFFFAOYSA-N
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-rxn:5:178467:228695:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3csc(CN(C)C)c3)c2OC1,KRMOCIAPXLWRHL-UHFFFAOYSA-N
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-rxn:5:179418:223010:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C3(O)CCOCC3)cc2)s1)N1CCOCC1,NBZWEKWLPZIGOT-UHFFFAOYSA-N
-rxn:5:179418:223056:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(N3CCC(O)CC3)nc2)s1)N1CCC(O)C1,NLFNEJTUWAROQT-UHFFFAOYSA-N
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-rxn:5:179629:225833:225987,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,AZJSUPRMLGRZFC-UHFFFAOYSA-N
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-rxn:5:180402:226414:225985,O=C(c1ccc(-c2ccc(C3=NCCCO3)cc2)cc1-c1cccc(N2CCCS2(=O)=O)c1)C1CCCCC1,JPGMKSUSPNMWFC-UHFFFAOYSA-N
-rxn:5:180421:225832:227390,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccnn1C1CCCCC1,LMVKZNFAVWCHQD-UHFFFAOYSA-N
-rxn:5:180421:226652:226665,Cc1cc(-c2cc(CC3CCCCC3)ccc2-c2cnc(C3CCCOC3)nc2)n(C2CCCCO2)n1,VSMZKQGLRKXTQF-UHFFFAOYSA-N
-rxn:5:180421:226686:226665,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1cnc(C2CCCOC2)nc1,GXBYVBQSDYVBEX-UHFFFAOYSA-N
-rxn:5:180422:226176:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccncc1C1CCCCC1,LZWOAUNUALEYAR-UHFFFAOYSA-N
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-rxn:5:180662:226649:226898,COC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3cccnc3N3CCOCC3)c2OC1,YZHFFKFXGYWKGB-UHFFFAOYSA-N
-rxn:5:180662:226747:223056,CCc1ncc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)cc3c2OCC(C(=O)OC)=C3)cc1C(F)(F)F,CTERKRMIDAAFMJ-UHFFFAOYSA-N
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-rxn:5:181904:222981:222957,Cc1cc(-c2c(-c3ccnc(NC4CCCCC4)c3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,OPIUBXUJKJQMQY-UHFFFAOYSA-N
-rxn:5:181904:225407:222986,Cc1cc(-c2c(-c3ccc(C4CCCCCC4)cc3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)n1,SQLXMNKMZNTHTQ-UHFFFAOYSA-N
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-rxn:5:181904:226686:223006,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(F)c(C2CCNCC2)c1,CNSKBKLABGKTAY-UHFFFAOYSA-N
-rxn:5:181906:225607:226179,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1cncc(C2CCCCC2)c1,CVYGPUPIDFWVMD-UHFFFAOYSA-N
-rxn:5:181906:225607:226382,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1cnc(C2CCCCC2)nc1,WOZMRPZREWNNLN-UHFFFAOYSA-N
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-rxn:5:181907:225633:222985,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,WWFLPHQDXACFPA-UHFFFAOYSA-N
-rxn:5:181907:226686:223007,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(F)cc(C3CCNCC3)c2)c(C2OCCO2)c1,XCEJTBICPSBGLP-UHFFFAOYSA-N
-rxn:5:181907:226686:226654,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2csc(N3CCC(C)CC3)n2)c(C2OCCO2)c1,DNBZZESZWKQXCC-UHFFFAOYSA-N
-rxn:5:181908:222998:223064,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccc(C3CCNCC3)nc2F)cc1C1OCCO1,JEEINMXBCQEMBY-UHFFFAOYSA-N
-rxn:5:181908:223058:223000,Cc1cc(-c2cc(F)nc(C3CCCNC3)c2)c(-c2ccc(C3CCCNC3)c(F)c2)cc1C1OCCO1,VFJJUJQAAQEFCT-UHFFFAOYSA-N
-rxn:5:182009:222986:223064,Cc1cc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2C2CCOCC2)cc(C2CCCNC2)n1,UDDTYBMHKQZXCD-UHFFFAOYSA-N
-rxn:5:182010:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccnc(NC3CCCCC3)c2)c1,CYFGNMRLMFTNDG-UHFFFAOYSA-N
-rxn:5:182010:226686:225880,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCOCC3)ncc2F)ccc1C1CCOCC1,MQZAWPWIJBUCQW-UHFFFAOYSA-N
-rxn:5:182011:226652:222987,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2C)n(C2CCCCO2)n1,BODDHCCSKWHZPX-UHFFFAOYSA-N
-rxn:5:182012:223061:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1C1CCCOC1,BSSZLNKNLLXZHT-UHFFFAOYSA-N
-rxn:5:182012:223063:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1C1CCCOC1,LLQCZEFISBEADD-UHFFFAOYSA-N
-rxn:5:183190:225394:225499,CC1(C)Cc2c(cc(-c3ccc(C4CCCCC4)cc3F)cc2-c2cc(C3CCC3)cc(C3CC3)c2)C1=O,SWQKOCARBSUUIH-UHFFFAOYSA-N
-rxn:5:183227:225655:225926,CC1CCN(c2cncc(-c3cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c4c(c3)C(C)(C)CCO4)c2)CC1,SGAFBSJCZFMOHB-UHFFFAOYSA-N
-rxn:5:188930:223139:223138,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)cc1-c1ccnc(C2CCNCC2)c1,TWAIRGRDGJYZIQ-UHFFFAOYSA-N
-rxn:5:188930:225607:227379,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1cccnc1N1CCCC1,WQIKDQHQUJWTTN-UHFFFAOYSA-N
-rxn:5:189207:226774:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(OC(F)=C(F)F)cc2)ccc1-c1ccc(S(=O)(=O)O)cc1,YDDLYJAONBWSLU-UHFFFAOYSA-N
-rxn:5:189209:229090:225925,CC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(S(=O)(=O)N(C)C)ccc3C)c2)cs1,IVOVGWKVBOBLKL-UHFFFAOYSA-N
-rxn:5:189211:225441:228511,CC(C)(C)c1ncc(C2CC2)cc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(C2CC2)cc1,VWXWUMIRILJHLM-UHFFFAOYSA-N
-rxn:5:189212:226395:226046,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)c(-c2cncc(N3CCCCC3)c2)c1,QBMFOSHYRCOMIE-UHFFFAOYSA-N
-rxn:5:189319:225868:225641,CC1CCCN(c2cc(-c3ccc(-c4ccc(N5CCOCC5)c(F)c4)c(C(=O)OC(C)(C)C)n3)ccn2)C1,YJWBYMMUWFMJER-UHFFFAOYSA-N
-rxn:5:189323:223010:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ncc1-c1ccc(C2(O)CCOCC2)cc1,CQKUUZTWMGOUHN-UHFFFAOYSA-N
-rxn:5:189323:226134:225940,Cc1c(-c2cnc(-c3cc(C(F)(F)F)cnc3C3CC3)cc2C(=O)OC(C)(C)C)cc(C#N)cc1C1CC1,JIXZFEXAGPXDLE-UHFFFAOYSA-N
-rxn:5:189449:225507:227523,COC(=O)c1cnc(C)cc1-c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)c(C(=O)N2CC(OC)C2)c1,QCQWIAVCEJTTRE-UHFFFAOYSA-N
-rxn:5:189671:225799:226742,CC(C)(C)S(=O)/N=C/c1c(-c2cncc(OC3CCOCC3)c2)cccc1-c1ccc(C#N)cc1C(F)(F)F,FJRNGYHOLYKIRA-MWBNBJEGSA-N
-rxn:5:189672:223001:227708,CC(C)(C)S(=O)/N=C/c1cccc(-c2cc(C3CCCNC3)ccc2F)c1-c1ccc(OC(F)(F)F)cc1,QIDVBQXKNADWKQ-MWBNBJEGSA-N
-rxn:5:189908:227587:225394,COc1cc(-c2cnc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCCCC3)c2)cc(F)c1OC,MKXBFYBKCMGKLS-UHFFFAOYSA-N
-rxn:5:189909:225976:225976,Fc1c(-c2ccc(-c3ccnc(N4CCOCC4)c3F)c(CCN3CCOCC3)c2)ccnc1N1CCOCC1,VDKXVCBPGOYHCD-UHFFFAOYSA-N
-rxn:5:189910:225976:226664,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CCN1CCOCC1,XYPDTHASVDFXMX-UHFFFAOYSA-N
-rxn:5:189952:225849:225655,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCCC2)cc1F,GMWSKENIMRZHED-UHFFFAOYSA-N
-rxn:5:190001:227738:225940,Cc1cnc(C(F)(F)F)cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cc(C(F)(F)F)cnc1C1CC1,DALUCGAQCVEXQE-UHFFFAOYSA-N
-rxn:5:190128:226333:227316,COC1CCN(C(=O)c2ccc(-c3cccc(C(=O)N4CCC4)c3)c(-c3cc(F)nc(CC(C)C)c3)c2)CC1,FDIFRQTXLSIWSV-UHFFFAOYSA-N
-rxn:5:190131:228487:226588,COc1c(-c2cc(OC3CCC3)ncc2F)cc(C(=O)N2CCCCC2)cc1-c1cccc(F)c1[N+](=O)[O-],UUDMVDXDPACKEJ-UHFFFAOYSA-N
-rxn:5:190194:226778:227119,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)cs2)c(F)c(F)c1OC,XFJMFWPZBURUME-UHFFFAOYSA-N
-rxn:5:190194:227935:225498,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)ccc2F)ccc1OC,QARUKWRQZNLKGX-UHFFFAOYSA-N
-rxn:5:190194:228146:225598,CCc1cncc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(CN3CCSCC3)c2)c1OC,OXTPDYHTXVNXPS-UHFFFAOYSA-N
-rxn:5:190195:223061:226664,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cc(N3CCCC3)ncc2F)c1)C1CCOCC1,ZVTCSVGHFHOFMM-UHFFFAOYSA-N
-rxn:5:190197:223113:225655,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)c(-c4ccc5c(c4)C(C)(C)C(=O)N5)c3)c2)CC1,WNHVYVXQWSUJPT-UHFFFAOYSA-N
-rxn:5:190198:226420:225639,CC1CCN(c2ncccc2-c2cccc(-c3ccc(F)c(N4CCCC4)c3)c2CN(C)C2CCOCC2)CC1,IXNQPTNQNHKLLZ-UHFFFAOYSA-N
-rxn:5:190201:225881:223113,CC1CN(CCc2cc(-c3ccc(C4CCOCC4)nc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,CJYQCUPJEMEFFS-UHFFFAOYSA-N
-rxn:5:190231:222989:223058,COc1c(-c2cc(F)nc(C3CCCNC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(N2CCNCC2)cc1C,LTZNNGPZDNDSAI-UHFFFAOYSA-N
-rxn:5:190231:227379:226664,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cccnc1N1CCCC1,LNPXIIQDHABFPW-UHFFFAOYSA-N
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-rxn:5:196408:225986:225656,CC1CCCCN1c1cncc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1,HCKUAALOHMTJEB-UHFFFAOYSA-N
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-rxn:5:196919:225985:223132,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cccc(N3CCNCC3)c2)=N1,LALRBUIANAMBHR-UHFFFAOYSA-N
-rxn:5:196919:225985:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1C1=NC(C)(C)CO1,SENOMTLWWWKIHK-UHFFFAOYSA-N
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-rxn:5:196969:226426:223064,CC1CCN(c2ccc(-c3cnc(C4CCCCC4)cc3-c3ccc(C4CCNCC4)nc3F)s2)CC1,UJFDICZHMFJMBX-UHFFFAOYSA-N
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-rxn:5:228549:178295:226772,CCCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,LAZUFPMNUFBORF-UHFFFAOYSA-N
-rxn:5:228555:178295:226772,COCc1ccccc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,LRTPTDAOOSDFLG-UHFFFAOYSA-N
-rxn:5:228564:178295:227529,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,JNCLUKORMZLIAA-UHFFFAOYSA-N
-rxn:5:228567:178295:227075,CCC(C)c1sccc1-c1ccc(-c2cc(OC)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,NUJHJLHXWUNKBD-UHFFFAOYSA-N
-rxn:5:228763:178295:226059,CCc1c(F)cncc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,UZCVQFLQJPANPA-UHFFFAOYSA-N
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-rxn:4:173399:223648,CCOC(OCC)C(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1,FMHIPOIJGJHQEU-UHFFFAOYSA-N
-rxn:4:173534:222639,COC(=O)C(C)(C)Oc1cccc(C(=O)c2cccc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c2)c1,CBOANBYGFHOJNB-FQEVSTJZSA-N
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-rxn:4:173611:224842,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc1)C2=O,GENARDNBXZXLPL-UHFFFAOYSA-N
-rxn:4:173645:224605,CCN(CC)C(=O)c1ccc(-c2cc(OC)c3oc(=O)c(C(=O)OC(C)C(=O)c4ccc(F)cc4)cc3c2)c(OC)c1,KBCOJIBREBHBGM-UHFFFAOYSA-N
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-rxn:4:173656:222972,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3NC(=O)C(C)(C)C)cc1)C2=O,GUBLICJTBXMSGE-UHFFFAOYSA-N
-rxn:4:173847:222466,COCCOc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(C(F)F)c1,JWUQVXNUIDIJLK-UHFFFAOYSA-N
-rxn:4:174133:223866,COC(=O)C(Oc1cccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1)C(C)C,OZADAEXFZAHQBL-UHFFFAOYSA-N
-rxn:4:174307:224330,COc1ccc(CC(=O)OC(C)(C)C)cc1-c1ccc(Cl)c(C(=O)N2CCC(=O)CC2)c1,OVLKGEOGKKNWMH-UHFFFAOYSA-N
-rxn:4:174406:225320,COC(=O)C1(c2ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc2)CC(OC)(OC)C1,LUADQDSZPSEEQA-UHFFFAOYSA-N
-rxn:4:174444:224425,CCCC1CCC(c2ccccc2-c2cc(C(=O)OC)cc(F)c2OCC2CCCCC2)CC1,NEURSCDNTDZBQI-UHFFFAOYSA-N
-rxn:4:174444:225892,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2cc(C(OC)OC)ncc2OC)c1,UJGDADAXXSKVEZ-UHFFFAOYSA-N
-rxn:4:174482:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(F)(F)F)cc3)c2)c1,LADWOSMWWZEXIA-UHFFFAOYSA-N
-rxn:4:174514:224195,CCN1CCN(Cc2cc(-c3cccc(O[Si](C(C)C)(C(C)C)C(C)C)c3)ccc2Cl)CC1,CUMLGRLCOSKZQH-UHFFFAOYSA-N
-rxn:4:174515:222545,CC(C)[Si](Oc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1)(C(C)C)C(C)C,ZPGRQQATKAHSEM-UHFFFAOYSA-N
-rxn:4:174561:222820,COC(=O)C12CC(COc3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)c(F)c4)c(C)c3)(C1)C2,RTMJAWCAUVUQCB-UHFFFAOYSA-N
-rxn:4:174573:223775,COC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)c1)C2=O,HSNTWBRKCSLZSY-UHFFFAOYSA-N
-rxn:4:174602:223881,CCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(-c3cc4ccc(C)cc4n3C(=O)OC(C)(C)C)ccc1OC)C2=O,CFVAKRKKXHBVIO-UHFFFAOYSA-N
-rxn:4:174642:222633,COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2cccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)c2)C3=O)cc1,WMZFGHOJGKGPLO-UHFFFAOYSA-N
-rxn:4:175252:223522,COCc1c(OC)ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c1OC,PXDRAIOOHDVTRI-UHFFFAOYSA-N
-rxn:4:175300:222447,COc1ccc2c(c1-c1ccc(OC(=O)OC(C)(C)C)cc1)N=C(NC(=O)OC(C)(C)C)C2,MTNLLWYCQCMROT-UHFFFAOYSA-N
-rxn:4:175629:223559,CC(=O)Oc1ccc(C(=O)c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)cc1,CVOYETNQFAMURK-UHFFFAOYSA-N
-rxn:4:175831:223559,COc1cccc(C(=O)Oc2ccc(C)cc2-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,BSFFSTSJIQGSDW-UHFFFAOYSA-N
-rxn:4:175937:224061,CCCC1CCC(c2ccc(-c3ccc(OC)c(OCC4CCOCC4)c3)c(F)c2)CC1,YJPLUCYZOIOLKP-UHFFFAOYSA-N
-rxn:4:176018:224690,COc1cc(-c2ccc(CN3CCC(=O)CC3)cc2F)c(F)cc1OCC1CCCCC1,KPTHJPBCHCDHIU-UHFFFAOYSA-N
-rxn:4:176262:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)C)ccc4C3=O)c2)cc1,JBQCDTRKESVCDR-UHFFFAOYSA-N
-rxn:4:176262:223772,COc1ccc2cc(-c3cccc(C=C4Oc5cc(OC(=O)C(C)C)ccc5C4=O)c3)n(C(=O)OC(C)(C)C)c2c1,FFAMLWYDIRUILE-UHFFFAOYSA-N
-rxn:4:176488:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)CC(F)(F)F)cc3)c(F)cc2C)CC1,XHQAAIABGLGKQK-UHFFFAOYSA-N
-rxn:4:176518:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1c(C(F)(F)F)ccc(F)c1C(=O)C(F)(F)F,PKCRIBXXVTZARZ-UHFFFAOYSA-N
-rxn:4:176792:223559,C#Cc1c(OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1SC,KZOYDNQDHDHSIK-UHFFFAOYSA-N
-rxn:4:176924:223823,CCOc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c(C(F)(F)F)c1,OZYWTKVWXVYQLR-UHFFFAOYSA-N
-rxn:4:177347:223559,COC(=O)c1cc(OC)cc(C)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,RZZNAHQYZREYAX-UHFFFAOYSA-N
-rxn:4:178288:224605,CCN(CC)C(=O)c1ccc(-c2ccc(C3(C(=O)OC)CCC(=O)CC3)cc2)c(OC)c1,BJRWFRWOWDZHJA-UHFFFAOYSA-N
-rxn:4:178327:223569,COC(=O)C1(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2)CCCCC1,WMVRCQKNIDCIJU-UHFFFAOYSA-N
-rxn:4:178334:223559,COc1c(C)cc(C(=O)c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)cc1C,DIAYSFYZZUFWMA-UHFFFAOYSA-N
-rxn:4:178371:223904,COc1c(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc(C(C)(C)C)cc1C(C)(C)C,VGNLCWLYYOKQCM-UHFFFAOYSA-N
-rxn:4:178381:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,RDLFGJZLDVSRGX-UHFFFAOYSA-N
-rxn:4:178381:223774,COc1cccc2c1cc(-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)n2C(=O)OC(C)(C)C,UWYMKGYCMXCRPS-UHFFFAOYSA-N
-rxn:4:178382:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)CC1,XRNPWTBXVYFXKJ-UHFFFAOYSA-N
-rxn:4:178384:223064,Fc1nc(C2CCNCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,JTFVQGRMOFAYFR-UHFFFAOYSA-N
-rxn:4:178384:223212,COc1ccc2c(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c[nH]c2c1,PIVQSKCCKCYJKU-UHFFFAOYSA-N
-rxn:4:178384:225852,Clc1nc(C2CCCCC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SBOGXAVIPWPSQO-UHFFFAOYSA-N
-rxn:4:178384:227116,Cc1c(Cl)cc(C2CC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,MKAAIUDBMFBYCO-UHFFFAOYSA-N
-rxn:4:178384:227121,CC(C)(C)c1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c1,CEZGOMKQRYOWSB-UHFFFAOYSA-N
-rxn:4:178384:227822,Cc1cccc(C(C)C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WESGIVNLGKDDTA-UHFFFAOYSA-N
-rxn:4:178384:228168,CCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c1,HDJMPGYJMNVTEN-UHFFFAOYSA-N
-rxn:4:178384:228388,Cc1cnc(C(F)F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,BUZATEDYFIKDCC-UHFFFAOYSA-N
-rxn:4:178384:228910,COc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccnc1Cl,DAYVVLLBSPTTSK-UHFFFAOYSA-N
-rxn:4:178384:229272,COc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)s1,BDYUSTBRYYTUMR-UHFFFAOYSA-N
-rxn:4:178562:223888,COc1ccc2c(c1)OC(=Cc1cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc1OC)C2=O,SOSIPIQHBOKHLP-UHFFFAOYSA-N
-rxn:4:178597:222712,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)c1F,SFOYCLWFKVCKIH-UHFFFAOYSA-N
-rxn:4:178597:225607,CC(c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)s1)N1CCCCC1,KWUXTIMOOIANEC-UHFFFAOYSA-N
-rxn:4:178597:227306,Cc1nc(OC(C)C)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,XKZIKVHXMDXPIR-UHFFFAOYSA-N
-rxn:4:178597:227353,COc1cc(C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(OC)c1,MKGZBHCKSNBKCX-UHFFFAOYSA-N
-rxn:4:180035:223755,COc1c(F)cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1C1OCCO1,XGULBVKSDWDKRU-UHFFFAOYSA-N
-rxn:4:180074:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3C3CC3C3CC3)c2)CC1,KGKZYFGALIWTLC-UHFFFAOYSA-N
-rxn:4:180581:223699,COC(=O)c1sc2c(c1-c1ccc(S(=O)(=O)N3CCOCC3)cc1C(F)(F)F)CCC2,QNQOQJVDLYBUHE-UHFFFAOYSA-N
-rxn:4:180708:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc2c1CCCC2=O,XRHXSQCYSLCSIY-UHFFFAOYSA-N
-rxn:4:180815:222891,COc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C2CCNCC2)n1,GJHIDNZOZGNQCZ-UHFFFAOYSA-N
-rxn:4:180815:224664,COc1ccc(-c2cc(F)cc(CN3CCN(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,MPCXEYXBFOBYFN-UHFFFAOYSA-N
-rxn:4:180856:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c2C1,AZMRZACRTPUJEC-UHFFFAOYSA-N
-rxn:4:181897:223520,Cc1c(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cccc1C1OCCO1,YJYDOIXVMKFPPE-UHFFFAOYSA-N
-rxn:4:182302:223670,COc1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c2c1OC(C)(C)C2,BXUGUSWPPBEZFB-UHFFFAOYSA-N
-rxn:4:182359:224766,COC1CCC2(CC1)Oc1ccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)cc1C2=O,FTTYFWHDVLCMFJ-UHFFFAOYSA-N
-rxn:4:182374:223766,CC(=O)c1cc2c(cc1-c1cc3cc(C#N)ccc3n1C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,LZEHKFDSRITJBO-UHFFFAOYSA-N
-rxn:4:182376:222996,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3C2=O)C[C@@H]1C,HUOJYIJWUOSSSG-NJFFTKJRSA-N
-rxn:4:182376:223811,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)cc3C2=O)C[C@@H]1C,LSALZXJRSZXQNE-CAKCGFARSA-N
-rxn:4:182376:225195,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)c(OC5CCCCO5)c4)cc3C2=O)C[C@@H]1C,WJDIFSOXWNJULU-DOIBRGFTSA-N
-rxn:4:182416:228962,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cccn3nnnc23)cc1,PKNQSAYPYDZVNC-UHFFFAOYSA-N
-rxn:4:183273:228396,COc1cc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)c1,SPJIGHLUGYSUJC-UHFFFAOYSA-N
-rxn:4:183274:228397,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(F)c1F,WWOKHYRAWBEVBM-UHFFFAOYSA-N
-rxn:4:183480:223687,COCCOc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nc1C(=O)OC,UWNAGUYQBUJMMA-UHFFFAOYSA-N
-rxn:4:183596:222603,CCC(Oc1cc([N+](=O)[O-])ccc1-c1cc(OC)c(NC(=O)OC(C)(C)C)cc1Cl)C(=O)OC,KONOBGDNJZCIOE-UHFFFAOYSA-N
-rxn:4:183795:224280,COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)c(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1,JVDNBAVEHXRIIP-UHFFFAOYSA-N
-rxn:4:183798:222518,COCCOc1cc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)ccc1C(=O)N1CCOCC1,IEBZHZWOLILCQH-UHFFFAOYSA-N
-rxn:4:183819:224011,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)c1,QCOSRMVMRRFQTM-UHFFFAOYSA-N
-rxn:4:183820:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)c1,JPDFEMCOKDTJGC-UHFFFAOYSA-N
-rxn:4:183842:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(OC(F)(F)F)cc1OCCN1CCOC(C)C1,UIZHXQFUROTOCA-UHFFFAOYSA-N
-rxn:4:183864:224633,COC(=O)CN1CCCC(COc2cccc(-c3cc(CN4CCOCC4)ccc3OC)c2)C1,DFZHJKIDQLGHMW-UHFFFAOYSA-N
-rxn:4:183885:226354,COc1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)c(Cl)c(C2CC2)c1,ILFIYTHWBLOEAT-UHFFFAOYSA-N
-rxn:4:183915:226528,CCOC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)c(Cl)c1,KKXNEWGGGAPUTO-UHFFFAOYSA-N
-rxn:4:183999:222496,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c(F)c1)C1CCCC1,MUODFVIQSFSSKK-UHFFFAOYSA-N
-rxn:4:184015:224775,CC(C)(C)OC(=O)N1CCC(OCc2cccc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)c2)CC1,VCAUNSFSQNWSEO-UHFFFAOYSA-N
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-rxn:4:184053:226130,CN(Cc1cc(-c2ccc(CN3CCCC3)cc2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,JYCLCUJCJKKQQF-UHFFFAOYSA-N
-rxn:4:184053:226181,CN(Cc1cc(-c2ccc(C3=CCCCC3)nc2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,BUDPNBAXRUDYSI-UHFFFAOYSA-N
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-rxn:4:187192:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H](C)N4CCC[C@H]4C(=O)OC)cc3)cc2)CC1,PVSZRLJVYMFYDM-TYIRCOKMSA-N
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-rxn:4:187305:224650,COC1CCN(CCc2ccc(F)c(-c3cc(F)ccc3OCC3CCOCC3)c2)CC1,AHCDADOCGHHGBG-UHFFFAOYSA-N
-rxn:4:187347:222624,Cc1cc(OC2CN(S(=O)(=O)c3ccccc3-c3cc(CC(C)C)nc(C4CCNCC4)c3)C2)cc(=O)o1,RBLNPKLIWBJFPG-UHFFFAOYSA-N
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-rxn:4:187434:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)cc3CN3CCCCC3C)cc2)CC1,XEXKTZITRSZTER-FMWDMEFWSA-N
-rxn:4:187474:222635,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)c1,OSEUEZPRPQJRJC-NRFANRHFSA-N
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-rxn:4:187476:224824,CC(C)CN1CCC(Oc2ccc(-c3cc(C4OCCO4)cc(C(F)(F)F)c3)cc2)CC1,WGSMGKNSFDZXOZ-UHFFFAOYSA-N
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-rxn:4:187598:222580,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CC2)c2ccccc12)N1CC(S(=O)(=O)C2CCCCC2)C1,FPVCLAHRWKBPCO-UHFFFAOYSA-N
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-rxn:4:187634:227432,Cc1nc(C2COC2)ccc1-c1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)cc1,PESRGLNCDNSEHA-UHFFFAOYSA-N
-rxn:4:187648:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c1,YHZCWEMNGWGDMH-UHFFFAOYSA-N
-rxn:4:187656:223753,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc1C,SAGHKBFQPMUCIA-UHFFFAOYSA-N
-rxn:4:187688:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2F)c(C(F)(F)F)c1,QXAFGVSWMIHIKI-UHFFFAOYSA-N
-rxn:4:187690:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)CC1,MJBWDHXUPNLABH-UHFFFAOYSA-N
-rxn:4:187805:223559,CCC(C)n1ccc2c(C(=O)OC)cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc21,ZXWQJSPALPJCAK-UHFFFAOYSA-N
-rxn:4:187817:224414,O=C1C(=O)N(CC(=O)c2ccccc2C(F)(F)F)c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cc21,WOPDKASLYFLMEG-UHFFFAOYSA-N
-rxn:4:187822:222603,COc1cc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)c(Cl)cc1NC(=O)OC(C)(C)C,QUYFHGGXHJYDML-UHFFFAOYSA-N
-rxn:4:187826:222539,COC(=O)c1cc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc2c1ccn2CC1CCC1,ZTDAUASSAOBEOE-UHFFFAOYSA-N
-rxn:4:187863:224080,COC1c2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2CN1C(=O)OC(C)(C)C,WDPKNNYZFJWDIY-UHFFFAOYSA-N
-rxn:4:187996:224433,CC(C)(C)OC(=O)N1CCC(C2CC(=O)c3ccc(-c4ccccc4OCCc4ccccc4)cc3O2)CC1,RFUQBPSYPDAFGR-UHFFFAOYSA-N
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-rxn:4:188925:223574,CON(C)C(=O)c1c(F)cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,BCHSNCCYTAKRAW-UHFFFAOYSA-N
-rxn:4:189228:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(Sc3ncc(C(F)(F)F)cc3Cl)cc2)CC1,QXQYUKDJORFSIN-UHFFFAOYSA-N
-rxn:4:189521:222466,COC1CCN(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)o2)C1,QMFSOFNWLIOXFY-UHFFFAOYSA-N
-rxn:4:189599:224009,COc1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2C)cc1S(=O)(=O)N1CCOCC1,LDTBZMOUBSVZKS-UHFFFAOYSA-N
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-rxn:4:189837:223490,Cc1ccc(-c2coc(CN3CCC(C(F)(F)F)CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NCHHMMYKUQPWTL-UHFFFAOYSA-N
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-rxn:4:201557:222543,Cc1cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)nn1CC(=O)OC(C)(C)C,IJDOXTJGQIXQPP-UHFFFAOYSA-N
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-rxn:4:201674:222540,N#CCC(=O)C1CCCN(c2ccc(F)cc2-c2cccc(C(=O)NCCN3CCCCC3)c2)C1=O,GXZNZQRRUSVBJG-UHFFFAOYSA-N
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-rxn:4:201842:224420,COC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C,BSVHHNNNFMLBPG-UHFFFAOYSA-N
-rxn:4:201861:223682,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)cc1[N+](=O)[O-],RULLBRIIKCIMQH-UHFFFAOYSA-N
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-rxn:4:201932:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccnc(C2CCN(C(=O)OC(C)(C)C)C2)c1,NEJILAXIGUZQMC-UHFFFAOYSA-N
-rxn:4:201949:222909,COC(=O)c1ccc(-c2ccnc(NC(=O)OC(C)(C)C)c2)cc1CN1CCN(C)CC1,IPWYIMQWMUXQLV-UHFFFAOYSA-N
-rxn:4:201992:222603,COc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)c(Cl)cc1NC(=O)OC(C)(C)C,VQUIVTRNEJKDHH-UHFFFAOYSA-N
-rxn:4:202004:223054,CCOc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1S(=O)(=O)N1CCN(C)CC1,WLIUPRTZCIVISA-UHFFFAOYSA-N
-rxn:4:202012:224317,CN1CCN(C(=O)c2ccc(-c3ccc(CN4CCN(S(=O)(=O)C5CC5)CC4)cc3)c(F)c2)CC1,QEDDKSCCLAKZKG-UHFFFAOYSA-N
-rxn:4:202020:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnccc2C2CN(C(=O)OC(C)(C)C)CCO2)cc1,IZHRMGDRRXXOLB-UHFFFAOYSA-N
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-rxn:4:202175:222492,O=C(Nc1ccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)cc1F)OCc1ccccc1,CAHBUANCTFLCOA-UHFFFAOYSA-N
-rxn:4:202195:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cccnc1OC1CCN(C(=O)C2CC=CCC2)CC1,QGJUEMYSUBZCEU-UHFFFAOYSA-N
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-rxn:4:202225:226017,COc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)ccc1OC(F)(F)F,JJEWIUAQOVVSGN-UHFFFAOYSA-N
-rxn:4:202267:224880,O=C(C1CN(Cc2cccc(-c3ccccc3CN3CCCCCC3)c2)CCO1)N1CCCCC1,ATWHPVCHIFTCKT-UHFFFAOYSA-N
-rxn:4:202284:225059,COc1ccc(-c2ccc(N3CCC(C)CC3)cc2Cl)cc1CN1CCC(N2CCCC2)CC1,YJFKZOFRMWXLFY-UHFFFAOYSA-N
-rxn:4:202285:224653,COC1CCN(Cc2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2N2CCCC2)CC1,AMELIEKLFDLYCI-UHFFFAOYSA-N
-rxn:4:202290:222718,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3)CC2)C1,XTFPPVKPNLNRCY-UHFFFAOYSA-N
-rxn:4:202292:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CN4CCC(C(F)(F)F)CC4)c(N4CCOCC4)c3)cn2)CC1,VCSIFRANSAIWKW-UHFFFAOYSA-N
-rxn:4:202294:223903,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccccc1CCC(=O)N1CCC(=O)CC1,ADQKCIJERVRPGF-UHFFFAOYSA-N
-rxn:4:202310:223017,COC(=O)c1cccc2cc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)[nH]c12,KENVBGHNSFYVQK-UHFFFAOYSA-N
-rxn:4:202310:227006,CC(C)COc1cccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)c1,CEDRZKNZHIHWAQ-UHFFFAOYSA-N
-rxn:4:202340:223104,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(NC(=O)C(F)(F)F)cc4)o2)CC3)ccc1F,NGCRNYAYBLJLEY-UHFFFAOYSA-N
-rxn:4:202559:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(C#N)c2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,RAYWHRNWUDIICQ-UHFFFAOYSA-N
-rxn:4:202564:226494,CCN(CC)c1ncc(-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)c(C)n1,NTNVOUFNFIGGCM-UHFFFAOYSA-N
-rxn:4:202673:222542,Cc1ccc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccc(F)cc34)cc2)cc1OCCCN1CCNCC1,XFYMNDVPZIJNBF-UHFFFAOYSA-N
-rxn:4:202674:222639,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cnc21,YPMJLNXQFHICRB-QFIPXVFZSA-N
-rxn:4:202674:223636,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cnc21,ISXODRRCPVMNAI-UHFFFAOYSA-N
-rxn:4:202674:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3)c2)C1,GJHWWRVWYRHKGV-UHFFFAOYSA-N
-rxn:4:202677:222619,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CNC(=O)C4CCCCC4)cc3)ccnc21,WSXCDUJNURZWBV-UHFFFAOYSA-N
-rxn:4:202710:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc34)c2)CC1,OINIZGAMIKXGJT-UHFFFAOYSA-N
-rxn:4:202711:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2nc3cc([C@H]4CC[C@H](C)CN4C(=O)OC(C)(C)C)ccc3s2)cc1,TXHREJGLEOPZQF-HTAPYJJXSA-N
-rxn:4:202711:225898,C[C@H]1CC[C@H](c2ccc3sc(-c4cnn(CCN5CCOCC5)c4)nc3c2)N(C(=O)OC(C)(C)C)C1,VUSKNJRWFROAPZ-WMZHIEFXSA-N
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-rxn:4:202778:224304,CCn1c2c(c3cc(-c4c(F)ccc(O[Si](C)(C)C(C)(C)C)c4Cl)ccc31)CN(C(=O)OC(C)(C)C)CC2,RMHUJAOEKAHAPV-UHFFFAOYSA-N
-rxn:4:202796:225975,CC(=O)OCc1c(-c2ccnc(N3CCOCC3)c2Cl)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O,BBGICXFZTVVCPP-UHFFFAOYSA-N
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-rxn:4:203579:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(N3CCCC3C(=O)OC)nc1)n2C(=O)OC(C)(C)C,LXHCFNBPLFFPEM-UHFFFAOYSA-N
-rxn:4:203674:224364,CC(C)COc1cc(OC(F)(F)F)cc(-c2cc([N+](=O)[O-])ccc2C(=O)N2CCCCC2)c1,QZPQABBXPXLZGG-UHFFFAOYSA-N
-rxn:4:203684:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCOCC2)c1OC,YUBILYDOQROMBP-UHFFFAOYSA-N
-rxn:4:203708:225223,CC1CCN(c2cc(F)c(-c3ccccc3C(=O)N3CC(N4C(=O)COC4=O)C3)cn2)CC1,XZDLIANOSTVEEB-UHFFFAOYSA-N
-rxn:4:203712:224770,Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc(S(=O)(=O)N2CCCC2)c1,LZQDUPINGKFSTK-UHFFFAOYSA-N
-rxn:4:203724:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)NN2CCCCC2)cc1,MHWAGXFXPBBIFN-UHFFFAOYSA-N
-rxn:4:203731:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,IOWZBMIWAPESBN-UHFFFAOYSA-N
-rxn:4:203756:225882,O=S(=O)(c1cncc(-c2cnc(Cl)c(C3CCOCC3)c2)c1)N1CCCC(C(F)(F)F)C1,BGWRFLXCOKRWFB-UHFFFAOYSA-N
-rxn:4:203760:223753,Cc1ccc(-c2cc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])cc2F)cc1OCCCN1CCN(C)CC1,ZSOVNWIYUBRYEN-UHFFFAOYSA-N
-rxn:4:203811:223530,CC1CCN(C(=O)Cc2cncc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ZDDQVJGIZJUFJA-UHFFFAOYSA-N
-rxn:4:203830:225262,CCN1CCN(C(=O)c2c(F)cc(-c3ccc(C(=O)N(C)OC)cc3OC)cc2F)CC1,ZDFXNWASMPTMDH-UHFFFAOYSA-N
-rxn:4:203870:222537,CCN1CCN(Cc2cc(F)ccc2-c2cc(C3CCCC3)nc(C3CCCNC3)c2)CC1,MRUQXMSDQKSSJZ-UHFFFAOYSA-N
-rxn:4:203884:222693,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1,OYVHSHHFWJJCGN-UHFFFAOYSA-N
-rxn:4:203937:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1S(=O)(=O)NC1CCCC1,CQACHYAORDQCQC-UHFFFAOYSA-N
-rxn:4:204026:222854,COc1ccc(C2CCCNC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCN(C)CC1,DIFRXRLWWHOGAN-UHFFFAOYSA-N
-rxn:4:204046:226096,CC(C)CCOc1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,QMIRVGHLMDVYJK-UHFFFAOYSA-N
-rxn:4:204054:225091,CCCCOc1c(OC)ccc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)c1F,WQYCKVSUXPZNHN-UHFFFAOYSA-N
-rxn:4:204071:222520,CC(C)(C)OC(=O)Nc1cc(-c2ccc(CN3CCOCC3)c(N3CCCC3)c2)ccc1C(F)(F)F,OIGBOKKJJLTHTL-UHFFFAOYSA-N
-rxn:4:204131:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c1,MHDSPWJUWBTWTJ-QFIPXVFZSA-N
-rxn:4:204135:227472,CCCOc1ncc(Cl)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,LWVHXZCPQDFPLS-UHFFFAOYSA-N
-rxn:4:204157:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1,PIAPPNAGNQIWAO-UHFFFAOYSA-N
-rxn:4:204168:222469,COc1ccc(CNC(=O)c2ccc(-c3ccc(CN4CCC(C)CC4)c(N4CCOCC4)c3)cc2)cc1,GIFOQOSBRQVANJ-UHFFFAOYSA-N
-rxn:4:204553:223698,Cc1nn(C(=O)OC(C)(C)C)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)cc12,FRAPESHFSSPPPZ-UHFFFAOYSA-N
-rxn:4:204556:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,ISIZWCJBDHQYIM-UHFFFAOYSA-N
-rxn:4:204600:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c(C(C)C)c1,RMFRADYLSSMQAP-UHFFFAOYSA-N
-rxn:4:204694:222604,COc1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)cc1S(=O)(=O)NC1CCCC1,NKUBAWCHJSYBRR-UHFFFAOYSA-N
-rxn:4:204695:228382,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cc(Cl)c(C)nc2OC)c1,AGDANDLCSNMTFB-UHFFFAOYSA-N
-rxn:4:204697:227568,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2c(F)cc(OC)cc2OC)cc1,DWFHUPXRRVFONW-UHFFFAOYSA-N
-rxn:4:204764:225807,COc1cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)cc(-c2cncs2)c1,MLJMNVAKSMTRJW-UHFFFAOYSA-N
-rxn:4:204764:228584,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccnc(C4CC4)c3)cc2)C1,UWCNTXGYDGCJJZ-UHFFFAOYSA-N
-rxn:4:204804:227285,N#Cc1cnc(C2CC2)c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c1,GXKLIUAIHFMBEJ-UHFFFAOYSA-N
-rxn:4:204813:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(N3C(=O)C4CSC(c5ccc(C(C)C)cc5)N4C3=S)cc2)cc1,AKOHMJLETFKMRP-UHFFFAOYSA-N
-rxn:4:204955:222887,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(=O)N5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,WSGBEGYGXIPBPK-UHFFFAOYSA-N
-rxn:4:205899:223697,CC1=CC(C#N)(c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)n2)C1,BJGBEQCHMHAFCU-UHFFFAOYSA-N
-rxn:4:206195:223575,Cc1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cnc1C(=O)N1CCC1,BWJFIHDVFHKJAJ-UHFFFAOYSA-N
-rxn:4:206444:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C(=O)N4CCOCC4)c(Cl)c3)ccn2)CC1,RUIORYOLAMSGSV-UHFFFAOYSA-N
-rxn:4:206524:222542,Cc1ccc(-c2cncc(S(=O)(=O)N3CCOCC3)c2)cc1OCCCN1CCNCC1,LFFFERLMXBJZHV-UHFFFAOYSA-N
-rxn:4:206926:223993,CCN1CCN(c2cc(Cl)cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)c2)CC1,JBHDSOROMWJWBY-UHFFFAOYSA-N
-rxn:4:206930:223952,CN1CCN(CCOc2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2Cl)CC1,YBWQOIVCEMBTMA-UHFFFAOYSA-N
-rxn:4:206998:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2nc(C3CCCCC3)cc(C3CC3)n2)CC1,PYUAOSJWAOJNSX-UHFFFAOYSA-N
-rxn:4:207030:222466,CN1CCCC(Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)n2)CC1,OGVIGXZZFUEIGU-UHFFFAOYSA-N
-rxn:4:207056:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(S(N)(=O)=O)ccc1N1CCC(C)CC1,XODPWSYSIZVCDI-UHFFFAOYSA-N
-rxn:4:207058:224668,CCN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)c2)CC1,DKKNTVNKRLJDPH-UHFFFAOYSA-N
-rxn:4:207081:223945,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)c1)C2,RZEUMYVOGJOJQE-UHFFFAOYSA-N
-rxn:4:207311:223597,COC(=O)c1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)nc2n1CCOC2,ONHZOZHPZORTPF-UHFFFAOYSA-N
-rxn:4:207315:223712,COC(=O)c1nc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)n2c1COCC2,SFFWHHBPBQWIBF-UHFFFAOYSA-N
-rxn:4:207406:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1c2c(nn1CC(F)(F)F)CCCC2,XZTWORMGHKPOPO-UHFFFAOYSA-N
-rxn:4:207447:223840,COc1ccc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCN(C)CC1,IBPNWXHUMLBHBL-UHFFFAOYSA-N
-rxn:4:207463:222584,CCn1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1C12CCSCC1O2,MWBVUPQBOBMBER-UHFFFAOYSA-N
-rxn:4:207590:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CC4COCC4C3)c2)cc1,IOEFRTQIPIFFNP-UHFFFAOYSA-N
-rxn:4:207691:223834,Cc1cc(-c2c(Cl)c(C(F)(F)F)cc3c2cnn3C2CCCCO2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,DVCVDCHATCWBBY-UHFFFAOYSA-N
-rxn:4:207712:223811,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc2c1cnn2C1CCCCO1,CEBXUVXBQLDELX-UHFFFAOYSA-N
-rxn:4:207785:224153,Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(C)cc32)c(-c2cc(N3CCCC3)cc(N3CCCC3)c2)c1,RZTNLAMVIMYNPU-UHFFFAOYSA-N
-rxn:4:207843:225313,CCN1CCN(C2CCCc3cc(-c4ccc(N5CCN(C)CC5)nc4F)ccc32)CC1,DWINIVOLLFMAOC-UHFFFAOYSA-N
-rxn:4:207890:225035,Cc1c(-c2cc(F)ccc2OC2CCCCC2)cnn1CC12CC3CC(CC(C3)C1)C2,NVVIIEJROCOJDD-UHFFFAOYSA-N
-rxn:4:207965:226729,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(OC5CCOC5)nc4)ccc2OC32CCC(C)CC2)cc1,FEJLTTZOTKAZPL-UHFFFAOYSA-N
-rxn:4:207965:228002,COc1ccc(C2=NN3C(C2)c2cc(-c4sccc4C4CCCC4)ccc2OC32CCC(C)CC2)cc1,AKRQNAOXAAETEA-UHFFFAOYSA-N
-rxn:4:209891:223841,Cc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc(N2CCN(C)CC2)c1,QVEXSEBWVVTQBY-UHFFFAOYSA-N
-rxn:4:211101:226654,Cc1ccc(C2=NN3C(C2)c2cc(-c4csc(N5CCC(C)CC5)n4)ccc2OC32CCC(C)CC2)cc1,FTPDYEYCFFBRBS-UHFFFAOYSA-N
-rxn:4:212542:222875,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(C(=O)NC(C)(C)C)ccc3F)cn2)C1,WLXLRWDNUMUNNC-UHFFFAOYSA-N
-rxn:4:212555:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cnc(OC4CCN(C(=O)COc5ccc(F)cc5)C4)nc3)c2)C1,PKTZKFQFVHASQS-UHFFFAOYSA-N
-rxn:4:212569:225538,CC(C)COc1cccc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)c1C#N,KSBXNAANBIIGEM-UHFFFAOYSA-N
-rxn:4:212576:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cnn(CC2CN(C(=O)C(C)Oc3ccccc3)C2)c1,LLILTAFPEOHXRD-UHFFFAOYSA-N
-rxn:4:212606:224586,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)ccc3CN3CCC(C)CC3)cn2)C1,TXLIVJDVCOYZNZ-UHFFFAOYSA-N
-rxn:4:212630:224650,O=C(c1cncc(-c2cc(F)ccc2OCC2CCOCC2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,PFLVGLRYXLDFEA-UHFFFAOYSA-N
-rxn:4:212631:224734,O=C(c1cncc(-c2ccc(C(F)(F)F)cc2OCC2CC2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,VBYQMRSVAXEXFX-UHFFFAOYSA-N
-rxn:4:212639:224781,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccc(C4CCCO4)c(C(F)(F)F)c3)c2)CC1,OIBNQIUVZOQUPQ-UHFFFAOYSA-N
-rxn:4:212679:222607,Cc1cnc(OC2CCN(C(=O)CCc3ccccc3-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)CC2)nc1,NLGUSJIBLBJGKW-UHFFFAOYSA-N
-rxn:4:212696:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)cc([N+](=O)[O-])c1,NCEVIEGBTQMAEW-UHFFFAOYSA-N
-rxn:4:212725:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)cc3)cc2)CC1,OZFQUPMLXHUNCG-UHFFFAOYSA-N
-rxn:4:212736:222684,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2N2CCCC2)CC1,KIERRTOYKQFPKT-UHFFFAOYSA-N
-rxn:4:212736:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCCC2)c1,WBKUAGOMNLMZLJ-UHFFFAOYSA-N
-rxn:4:212740:225202,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCC4)cc(C(F)(F)F)c3)c2)CC1,UQAYUFSPGRQRFN-UHFFFAOYSA-N
-rxn:4:212771:225831,Cc1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4=COCCO4)sc3c2)cnc1N1CCOCC1,UKVZMCHWTPTSNO-UHFFFAOYSA-N
-rxn:4:212779:223569,COC(=O)CS(=O)(=O)c1nnc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)n1-c1ccc(C2CC2)c2ccccc12,XPOLJGFDLWZNHT-UHFFFAOYSA-N
-rxn:4:212814:226683,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc(-n3ccnc3)cc2Cl)C1(C)C,YQAQKTBKOZJHGO-UHFFFAOYSA-N
-rxn:4:212917:222776,COC(=O)CN1CCC(Cn2cc(-c3ccc(CN4CCC(O)CC4)cc3F)cn2)CC1,GANUMMASPAXISA-UHFFFAOYSA-N
-rxn:4:212917:225181,COC(=O)CN1CCC(Cn2cc(-c3cccc(CN4CCOCC4)c3F)cn2)CC1,BFHUTGBIBXILRD-UHFFFAOYSA-N
-rxn:4:212936:222723,CC(=O)OCCN1CCN(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,STIHMWVASMITCM-UHFFFAOYSA-N
-rxn:4:212944:224884,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cccc(CN3CCC(C)CC3)c2)CC1,WWNFXTUWSWTGFS-UHFFFAOYSA-N
-rxn:4:213007:223670,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)cc1F,MHKNNKOAGPWGIC-UHFFFAOYSA-N
-rxn:4:213018:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnn(CC4CN(C(=O)C5(c6ccc(F)cc6)CC5)C4)c3)c2)CC1,ZTKFOHHHGAAJRX-UHFFFAOYSA-N
-rxn:4:213038:223794,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(OCc4ccccc4)c(C(F)(F)F)c3)c[nH]2)CC1,LXOOFMHLFUTJJW-UHFFFAOYSA-N
-rxn:4:213042:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(OC5CCCN(C(=O)OC(C)(C)C)C5)cn4)c3C(=O)C1C2(C)C,HURHEUCQBFNZKS-UHFFFAOYSA-N
-rxn:4:213058:224502,CN1CCCCC1COc1cccc(-c2cnc(OC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)c1,JSMHXOGPWHWTJN-UHFFFAOYSA-N
-rxn:4:213066:228919,CSc1ncc(Cl)cc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)o1,MQMOATVVQCZCSR-UHFFFAOYSA-N
-rxn:4:213070:226281,CN(C)C(=O)Cc1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,WASBVYPCAZOJJZ-UHFFFAOYSA-N
-rxn:4:213073:226844,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1,KNUBMXKMMMOIFV-UHFFFAOYSA-N
-rxn:4:213092:225309,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cc(C4CC4)cc(C(F)(F)F)c3Cl)c2)CC1,SACVDQNGDMXRLO-UHFFFAOYSA-N
-rxn:4:213123:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1,ZFWCSGOKPVLPEW-UHFFFAOYSA-N
-rxn:4:213127:226715,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccn2)CC1,PDVTVRZUPLJGKU-UHFFFAOYSA-N
-rxn:4:213132:224772,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cn2)C1,GMBYWGJBEXSDFF-UHFFFAOYSA-N
-rxn:4:213138:224718,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OCCN4CCOCC4)nc3)cnc2F)CC1,AAVRMPAKPVMESS-UHFFFAOYSA-N
-rxn:4:213138:225898,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CCN4CCOCC4)c3)cnc2F)CC1,GMQVXVPANOELSM-UHFFFAOYSA-N
-rxn:4:213173:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1,UDUYBNJMVHVZCB-UHFFFAOYSA-N
-rxn:4:213177:223682,Cc1cccc(OCC2CCCN(C(=O)c3cncc(-c4c(C(F)(F)F)ccc5c4cnn5C4CCCCO4)c3)C2)n1,KKNOANGZUZVPPV-UHFFFAOYSA-N
-rxn:4:213180:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)oc5C)CC4)nc3)c(Cl)c2)CC1,CIHQJZYGUGFGPA-UHFFFAOYSA-N
-rxn:4:213180:225372,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)c(OCC(F)(F)F)c(F)c4)cn3)CC2)c(C)o1,JJQDEHODJWPKRS-UHFFFAOYSA-N
-rxn:4:213192:224658,CC(=O)N1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)=O)CC4)n3)cc2)CC1,VLJBEQGLJCTGKZ-UHFFFAOYSA-N
-rxn:4:213217:227021,CCN1CCN(c2ncc(-c3ccc(C4(C#N)CC4)cc3)cc2C(=O)OC(C)(C)C)CC1,MLTOEVXNVAIEMN-UHFFFAOYSA-N
-rxn:4:213221:224332,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cccc(-c3ccc(C(F)(F)F)cn3)c2)cc1[N+](=O)[O-],OKQVYDCKSATUGW-UHFFFAOYSA-N
-rxn:4:213222:225805,CC(c1ccc(-c2ccc(C(=O)N3CCN(Cc4nc(C(C)(C)C)cs4)CC3)o2)s1)N1CCOCC1,JOHXNGRDWZPCND-UHFFFAOYSA-N
-rxn:4:213222:225898,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cnn(CCN5CCOCC5)c4)o3)CC2)n1,CTWBOLOIUUSUEG-UHFFFAOYSA-N
-rxn:4:213231:223867,CC1CCN(CCCOc2cccc(-c3cc(F)ccc3CC(=O)N3CCC(N(C)c4ccccn4)CC3)c2)CC1,AXPLTDJYDZVWOB-UHFFFAOYSA-N
-rxn:4:213243:225437,O=C(CN1CCN(Cc2ccc(-c3cccc(CN4CCCCC4)c3)cc2)CC1)N1CCOCC1,XROMFMKEGDXVJA-UHFFFAOYSA-N
-rxn:4:213282:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3cccc(N4CC(C(=O)N5CCC(Oc6ccncc6)CC5)CC4=O)c3)cc2)cc1,TYYTVWPXZRMSTD-UHFFFAOYSA-N
-rxn:4:213380:224950,COc1ccc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)c(CN2CCCC2)c1,LMMQQQJGBHZQQN-UHFFFAOYSA-N
-rxn:4:213406:225896,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4cc(OCCOC)c(F)cc4F)cc3s2)CC1,PRNMNOREPNQSRO-UHFFFAOYSA-N
-rxn:4:213480:224324,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)N5CCC(=O)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JHAMDZWLJPHFGL-KIESAQMKSA-N
-rxn:4:213481:222719,COC12CC(COC(=O)c3cncc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,UWUMKTYVEQBLDE-UHFFFAOYSA-N
-rxn:4:213630:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cnn(CC3CCN(CC(F)F)CC3)c2)c1F,KUJIOJSUBOQYHG-UHFFFAOYSA-N
-rxn:4:213659:222634,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KLYWJHGYVYHVFY-UHFFFAOYSA-N
-rxn:4:213665:222546,CCOC(=O)N1CCN(c2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,QUKWEKHSLPQTJH-UHFFFAOYSA-N
-rxn:4:213692:222584,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,DQEJTAMOJJCMPU-UHFFFAOYSA-N
-rxn:4:213693:225313,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(N3CCN(C)CC3)nc2F)cn1,AWOMOSGRPRRPQF-UHFFFAOYSA-N
-rxn:4:213752:222389,CCCN1CCN(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)nc2)CC1,MMXVOVLVSGRVBB-UHFFFAOYSA-N
-rxn:4:213764:224126,CCN1CCN(C(C)c2cccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)c2)CC1,AATMNTBTRHOLGP-UHFFFAOYSA-N
-rxn:4:213796:225172,Fc1ccc(CN2CCOCC2)cc1-c1cnn(CC2CN(CC3CCOCC3)C2)c1,MYTKCVRBTVKQPR-UHFFFAOYSA-N
-rxn:4:213801:222684,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)n2)C1,LYBOUZFZXCNMEI-UHFFFAOYSA-N
-rxn:4:213817:222723,Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3-c3cccc(NS(=O)(=O)N4CCOCC4)c3)C2)s1,SSDZBTMULPWYFZ-UHFFFAOYSA-N
-rxn:4:213832:224286,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cn2)CC1,JPTPNHYYDLIAMF-UHFFFAOYSA-N
-rxn:4:213835:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12,GALNBJZPFBWOGI-UHFFFAOYSA-N
-rxn:4:213836:225346,COc1ccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N(C)C,MGGMRMKIMFOOLZ-UHFFFAOYSA-N
-rxn:4:213841:224662,CN1CCN(Cc2ccc(F)cc2-c2cnc(OC3CCN(CC4CCC4)CC3)nc2)CC1,UOQZGNYRGOIVJT-UHFFFAOYSA-N
-rxn:4:213862:223712,COc1ccc(-c2ccc(CC(=O)N3CCN(c4cccnc4)C(=O)C3)cc2)cc1C12CC3CC(CC(C3)C1)C2,YVTSUFVSNQNZET-UHFFFAOYSA-N
-rxn:4:213863:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1,JJSFFUIPEUTFQP-UHFFFAOYSA-N
-rxn:4:213893:224759,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)c2)CC1,NGQOXWRLKIFMLA-UHFFFAOYSA-N
-rxn:4:213896:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,MWJKQNGPCPKKGP-UHFFFAOYSA-N
-rxn:4:213924:224171,O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(-c2ccc(OCCCN3CCCC3)c(F)c2)c1,DQRSMDJQHBBFBK-UHFFFAOYSA-N
-rxn:4:213959:223637,Cc1ccc(CN2CCC(Oc3ncc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)cn3)CC2)cc1,XVWQRVJSBDWOPQ-UHFFFAOYSA-N
-rxn:4:213972:229167,CN(C)c1nc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cs1,UVHSBOXKDFLELE-UHFFFAOYSA-N
-rxn:4:213984:222826,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)n1,VIYHONFBWSTZTR-UHFFFAOYSA-N
-rxn:4:213989:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(OCC2CCCN(C3CCOCC3)C2)nc1,FHDRGODMXKNEDP-UHFFFAOYSA-N
-rxn:4:213989:225882,Clc1ncc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)cc1C1CCOCC1,WYXRLNGPTGYFMF-UHFFFAOYSA-N
-rxn:4:213994:223072,CCCNS(=O)(=O)c1ccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)cc1,IVOAGYPXECYIMG-GOSISDBHSA-N
-rxn:4:213998:222947,CC1CN(c2cncc(-c3cnc(N4CCCC(O)C4)nc3Cl)c2)CCN1C(=O)OC(C)(C)C,HBWVDIUBFHHCND-UHFFFAOYSA-N
-rxn:4:214026:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)cnc3N3CCCC(C(=O)N4CCOCC4)C3)ccn2)CC1,ZWGKJBZPVPAWHY-UHFFFAOYSA-N
-rxn:4:214060:227271,CCOc1cc(OC)cc(-c2cncc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c2)c1,AIEPASSEVGUASL-UHFFFAOYSA-N
-rxn:4:214064:223177,CS(=O)(=O)NCc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cc1,RLNKWMYQHYXABP-UHFFFAOYSA-N
-rxn:4:214119:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)cc2Cl)CC1,IXKWYINUQFKTNA-UHFFFAOYSA-N
-rxn:4:214153:225008,COC1CCN(c2ccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)cc2)CC1,GEJNPOYVVBKAII-LJQANCHMSA-N
-rxn:4:214179:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccn3cnc(C4CN(C(=O)OC(C)(C)C)C4)c3c2)c1,LRGYEDQCNHSYQS-SFHVURJKSA-N
-rxn:4:214238:223574,CCOc1c(C)cnc2c1c(=O)n(Cc1ccc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc1)c(=O)n2C,FCAXLNZEDAHULO-UHFFFAOYSA-N
-rxn:4:214322:224689,O=C(c1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)c(Cl)c1)N1CCCCC1,KEFXNSWBXYYQON-UHFFFAOYSA-N
-rxn:4:214337:226844,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)CC1,IVWUGNHGWIJGRE-UHFFFAOYSA-N
-rxn:4:214391:223096,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(NC(C)=O)ccc4[N+](=O)[O-])ccc2OC32CCN(Cc3ccccc3)CC2)cc1,MPDVECJKDXMNSX-UHFFFAOYSA-N
-rxn:4:214477:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)c(F)ccc21,JWFSMWYBNWILRT-UHFFFAOYSA-N
-rxn:4:214593:223502,CCCn1ncn(-c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2F)c1=O,WAHGXLXUTGZTKS-UHFFFAOYSA-N
-rxn:4:214668:223812,CCN1CCN(C(=O)c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)nc2)CC1,ODHLPXGWOOHRMY-UHFFFAOYSA-N
-rxn:4:214775:225196,Fc1c(Cl)cc(-c2cnc(OC3CCN(C4CCSC4)CC3)nc2)cc1OC1CCCC1,SRNARUPTIVQPKC-UHFFFAOYSA-N
-rxn:4:214776:225533,CCN(CC)Cc1cc(F)cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(C)C)CC3)c2)c1,ILZRYCPNKQSXMV-UHFFFAOYSA-N
-rxn:4:214778:222885,CC(C)N1CCN(c2cc(C(F)(F)F)c(-c3ccc(C(=O)NC4CCOC4)cc3)cn2)CC1,JBIMZDSIQACYLW-UHFFFAOYSA-N
-rxn:4:214780:223659,Cc1nnc(C2CCN(C(=O)c3ccccc3-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)s1,RHAZQDZBNZFOQQ-UHFFFAOYSA-N
-rxn:4:214802:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c2)CC1,YBIZMIGIYRNZHY-UHFFFAOYSA-N
-rxn:4:214819:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,OYFZBQKTSTVHNW-UHFFFAOYSA-N
-rxn:4:214835:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cn2)CC1,XIHHVGRULKYHIN-UHFFFAOYSA-N
-rxn:4:214835:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,CPHBOHMXUMYJPJ-UHFFFAOYSA-N
-rxn:4:214837:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1OCC,UVXRRPPRVNZOFR-UHFFFAOYSA-N
-rxn:4:214837:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,PIIZNOAZLVUHLX-UHFFFAOYSA-N
-rxn:4:214854:223055,Cc1nc(N2CCNCC2)ccc1-c1cnc(OC2CCN(C3CCOCC3)CC2)nc1,FANKXUGDVJHQBU-UHFFFAOYSA-N
-rxn:4:214854:223056,OC1CCN(c2ccc(-c3cnc(OC4CCN(C5CCOCC5)CC4)nc3)cn2)CC1,OSXYQULQUFSSPA-UHFFFAOYSA-N
-rxn:4:214860:224198,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC(c4cnn(C)c4)C3)c(F)c2)CC1,MAYPRNWAESGAAK-UHFFFAOYSA-N
-rxn:4:214863:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(N4CCN(Cc5ccccc5)CC4)cc3C)c2)C1,MYJHVTQHGLLHCS-UHFFFAOYSA-N
-rxn:4:214870:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,QUXQWTBVBIJELL-FTYYUIOPSA-N
-rxn:4:214873:226298,O=C(C1CCCN(c2ncc(-c3ccc(F)cc3OCC3CC3)cc2F)C1)N1CCOCC1,XCXMRCXSWHLVKS-UHFFFAOYSA-N
-rxn:4:214875:224718,O=C(C1CCCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cc2F)C1)N1CCSCC1,MPCYYPOUNHACFL-UHFFFAOYSA-N
-rxn:4:214883:222742,O=C(C1CCN(c2ccncc2-c2cc(C3CCNCC3)nc(C3CC3)c2)CC1)N1CCC(F)(F)CC1,GPSPBVZLYYNWKZ-UHFFFAOYSA-N
-rxn:4:214883:227458,CN1CCOc2cc(-c3cnccc3N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cnc21,MFTYVSBQRHNDHS-UHFFFAOYSA-N
-rxn:4:214888:224285,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)cc2F)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,XPSFFYACOAXRHR-UHFFFAOYSA-N
-rxn:4:214899:224754,O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)cc1,GLYLJCSPRRMTIO-UHFFFAOYSA-N
-rxn:4:215148:224930,CCN(CC)Cc1cc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)ccc1OC,BSKPTKMXWMNINE-UHFFFAOYSA-N
-rxn:4:215182:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2[nH]c(C(=O)N3CCN(C(C)C)CC3)cc2c1,SDCIPAWKSOFQAY-UHFFFAOYSA-N
-rxn:4:215216:226215,CO/N=C1\CCc2cc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)sc4c3)ccc21,CLSQIMUSUKGMGC-BYNJWEBRSA-N
-rxn:4:215309:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)c1,TVKCLEPFNGMUFA-VWLOTQADSA-N
-rxn:4:215852:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(N3CCOCC3)nc(C3CC3)n2)CC1,BQUWBBOKTDLXSK-UHFFFAOYSA-N
-rxn:4:215884:222537,CN1CCN(Cc2cc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cnc2F)CC1,LUIBCLSWOHOZMU-UHFFFAOYSA-N
-rxn:4:215892:223815,CN1CCN(c2c(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cccc2[N+](=O)[O-])CC1,BGWIZCRVUQGFBG-UHFFFAOYSA-N
-rxn:4:215909:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc([N+](=O)[O-])c(N3CCN(C)CC3)cc2F)CC1,LNAXZMLNHFBYQL-UHFFFAOYSA-N
-rxn:4:215937:224251,Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccc(C(=O)N2CCCC(C)C2)cc1F,KLZQBULWYMTLHA-UHFFFAOYSA-N
-rxn:4:215940:223992,Cc1ccc(-c2ccc(N3CCC(N(C)C)CC3)cn2)cc1S(=O)(=O)N1CCN(C)CC1,PHEOEVPGQWKVBQ-UHFFFAOYSA-N
-rxn:4:215949:222466,CC(C)c1nc(N2CCN(C)CC2)sc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,CMPDHXWIDAKVBH-UHFFFAOYSA-N
-rxn:4:215990:222895,CCCCS(=O)(=O)Nc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1,YSPRIJNHCBNZEK-UHFFFAOYSA-N
-rxn:4:216053:223506,COC(=O)c1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc12,KXNPTMAURLNTEQ-UHFFFAOYSA-N
-rxn:4:216293:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1c1cncnc1C2,DWANNXSKDOOPBQ-UHFFFAOYSA-N
-rxn:4:216319:225048,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)cc4C)ccc3S2(=O)=O)n1,PPXJRVMFXGXMSI-UHFFFAOYSA-N
-rxn:4:216319:225448,Cc1ccc(OC2CCCC2)c(-c2ccc3c(c2)N2CCCC2=C(C(=O)n2nc(C)cc2C)S3(=O)=O)c1,GMALPBXTHCAFPM-UHFFFAOYSA-N
-rxn:4:217040:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c[nH]c(N4CCOCC4)n3)cc2Cl)CC1,LPJLRXCACDCKJJ-UHFFFAOYSA-N
-rxn:4:217107:223649,CN1CCN(c2cncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1=O,XPEZABDKZIMYBP-UHFFFAOYSA-N
-rxn:4:217206:223728,CCCCCC1CCC(c2ccc(-c3nc(C)cc(N4CCC(C)CC4)n3)c(F)c2)CC1,ZZVJODOQOQRHRA-UHFFFAOYSA-N
-rxn:4:217865:223712,C=C1CC2CCC(C1)N2c1ncc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cn1,RHDHNZUAJDMTFA-UHFFFAOYSA-N
-rxn:4:217889:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c(F)c2)CC1,GAPNUPFDWYQCEJ-WBZLKKPZSA-N
-rxn:4:217889:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)CC1,ICWKSBAINYSGSI-UHFFFAOYSA-N
-rxn:4:218456:223502,CC1=NCCn2nc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc21,PEJGEBQYIIWHKJ-UHFFFAOYSA-N
-rxn:4:218585:222948,N#Cc1ccc(CN2CCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)CC2)c(F)c1,HQYRXCIYGDCHLT-UHFFFAOYSA-N
-rxn:4:218588:222878,CC(C)(C)NC(=O)c1cc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)ccc1F,BOQGAWVBFJLNJC-UHFFFAOYSA-N
-rxn:4:218600:225877,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,RQMRHNDNGMQPNE-UHFFFAOYSA-N
-rxn:4:218662:224317,CN1CCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)c5cccc(N(C)C)c5)CC4)nc3)c(F)c2)CC1,HEYBZMOIUARLDM-UHFFFAOYSA-N
-rxn:4:218662:224680,CN(C)c1cccc(C(=O)N2CCC(COc3ncc(-c4cc(C(=O)N5CCCCC5)ccc4F)cn3)CC2)c1,WFEOACMWTNFQGR-UHFFFAOYSA-N
-rxn:4:218666:225113,CC(C)(C)OOC(=O)c1cccc(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)C3)c2)c1,FKGQEMVPUHOGTM-UHFFFAOYSA-N
-rxn:4:218666:225947,CN1CCN(c2ncc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cn2)CC1,NLRWGJMZAXNMGV-UHFFFAOYSA-N
-rxn:4:218691:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(-c2cc(N3CCCN(C(=O)COc4ccc(F)cc4)CC3)[nH]n2)cc1,NATCIIVKBVCPKZ-UHFFFAOYSA-N
-rxn:4:218699:222948,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(N5CCC(O)CC5)nc4Cl)c3)ccc2C#N)CC1,PWDKHWBBVGETGB-UHFFFAOYSA-N
-rxn:4:218711:226801,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4cccn4)cc3F)CC2)CC1,JSUWKCOSLZKGDL-UHFFFAOYSA-N
-rxn:4:218712:227242,CCCOc1cccc(F)c1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1C,QYIUHQUJJKBWGU-UHFFFAOYSA-N
-rxn:4:218749:224676,CN1CCN(C(=O)c2ccccc2-c2cnc(OCC3CCCN(C(=O)Cn4ccc5ccccc54)C3)nc2)CC1,KUUCSSNTHFGVJB-UHFFFAOYSA-N
-rxn:4:218787:222698,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c1,UTNABJOSBGXGEB-UHFFFAOYSA-N
-rxn:4:218847:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OC4CCN(C(=O)c5cccnc5OC)C4)nc3)c2)CC1,OKIHFJLRMOBDGW-UHFFFAOYSA-N
-rxn:4:218857:223743,Cc1ccc(-c2cnccc2OC2CCN(C(=O)c3cn(C)nc3C(F)F)C2)cc1OCCCN1CCC(C)CC1,GLSLHPOXHFMUOV-UHFFFAOYSA-N
-rxn:4:218867:223168,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3N3CCNCC3)c2)no1,IJCXOOWWCCRRKT-UHFFFAOYSA-N
-rxn:4:218867:225312,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCN(C)CC4)nc3)c2)no1,DOOJSXHZMTWQQR-UHFFFAOYSA-N
-rxn:4:218867:225977,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(Cl)cnc3N3CCOCC3)c2)no1,IHHUHSYRRNPCPT-UHFFFAOYSA-N
-rxn:4:218867:226145,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCC4)cc3)c2)no1,UNQDFUUJMHTPSA-UHFFFAOYSA-N
-rxn:4:218868:226175,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCC4)cc3C)cc2)no1,GVVRIHRSNRPQLJ-UHFFFAOYSA-N
-rxn:4:218868:226382,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(C4CCCCC4)nc3)cc2)no1,NRIFPPDGBBMRLQ-UHFFFAOYSA-N
-rxn:4:218888:222607,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,RNLMPVIYBVIIID-UHFFFAOYSA-N
-rxn:4:218889:223812,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)no1,WMAXKBGYWWJKRA-UHFFFAOYSA-N
-rxn:4:218944:227211,CCCCSc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,QGJMYSZCTJHZBO-UHFFFAOYSA-N
-rxn:4:218964:223712,COc1ccc(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,ZGVVXTUQKYLHQI-UHFFFAOYSA-N
-rxn:4:218982:223817,O=C(c1cncc(-c2cnn(CCN3C(=O)c4ccccc4C3=O)c2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,ACKYJGAJJJAUII-UHFFFAOYSA-N
-rxn:4:218998:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)CC1,BBNACHBNAHAOQL-UHFFFAOYSA-N
-rxn:4:219014:224089,CC1CCN(CCOc2ccc(-c3ccccc3CC(=O)N3CCC(N(C)c4ncc(Cl)cn4)CC3)cc2)CC1,KXWNZGDAEIPCEY-UHFFFAOYSA-N
-rxn:4:219044:224731,CC(C)c1nccn1CC1CCN(C(=O)c2cncc(-c3cccc(S(=O)(=O)OCC(C)(C)C)c3)c2)CC1,ISHGBJAKYIMVFE-UHFFFAOYSA-N
-rxn:4:219053:223061,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(C5CCNCC5)ncc4F)c3)cn2)CC1,PINKOMLVIOUQFM-UHFFFAOYSA-N
-rxn:4:219072:227610,O=C(Cc1nnc(-c2cccc(-c3ccn(C4CCCCO4)n3)c2)o1)N1CCN(C2CCCCC2)CC1,NTTHNZBOLDJCSS-UHFFFAOYSA-N
-rxn:4:219130:224195,CCN1CCN(Cc2cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)ccc2Cl)CC1,JEUPRCPEUXYLOY-UHFFFAOYSA-N
-rxn:4:219134:224120,Cc1cc(-c2ccccc2CC(=O)N2CC3CN(c4ccc(C#N)cn4)CC3C2)ccc1CO[Si](C)(C)C(C)(C)C,UWEQBESARDJXDW-UHFFFAOYSA-N
-rxn:4:219373:225276,CCCOc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(F)(F)F,TWXFELNNDAHQDV-UHFFFAOYSA-N
-rxn:4:219383:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2F)CC1,VXESIBOBYIHXQF-UHFFFAOYSA-N
-rxn:4:219406:222634,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,CIHREJJDRIUTNP-UHFFFAOYSA-N
-rxn:4:219407:223945,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,VECVGTIOWGJRKC-UHFFFAOYSA-N
-rxn:4:219410:223074,O=S(=O)(Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1)C1CC1,AHLQXRXFLLXZRK-UHFFFAOYSA-N
-rxn:4:219431:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1S(=O)(=O)NC1CCCC1,POBJXPIMYNATOT-UHFFFAOYSA-N
-rxn:4:219432:222542,Cc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3cn(C)c(C)n3)C2)cc1OCCCN1CCNCC1,QYPHPCSKYOTMOK-UHFFFAOYSA-N
-rxn:4:219497:226095,CCCCOc1cc(C)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)c1,HOBMLXXAKMXOLD-UHFFFAOYSA-N
-rxn:4:219531:226249,CCCCOc1cc(Cl)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)c1,CWKQATAYFHNWBF-UHFFFAOYSA-N
-rxn:4:219535:225454,CN1CC=C(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)cc2)CC1,XKKIOCXSZJSZHN-UHFFFAOYSA-N
-rxn:4:219552:224850,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(/C=C/c2ccccc2)cc1,ZAHFHEAYRLOYGF-BQYQJAHWSA-N
-rxn:4:219565:227449,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C5CCOCC5)s4)cc3)CC2)n1,KIEHFFUJXZDVAM-UHFFFAOYSA-N
-rxn:4:219653:225882,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)nc3s2)CC1,IVVNFAHPIVVSOF-UHFFFAOYSA-N
-rxn:4:219654:223055,Cc1nc(N2CCNCC2)ccc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,KBRZOYWBSWLYTD-UHFFFAOYSA-N
-rxn:4:219654:224290,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(Cl)cc4OCCN4CCOCC4)cc23)CC1,IEBGANCKPVUVMF-UHFFFAOYSA-N
-rxn:4:219759:225313,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,LWXKPAKQWUHCLK-UHFFFAOYSA-N
-rxn:4:219762:225113,CC(=O)C1=C(c2ccc(-c3cccc(C(=O)OOC(C)(C)C)c3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,QBKIGWIWULQPRT-UHFFFAOYSA-N
-rxn:4:219766:225829,CC1CCN(c2ncc(-c3cncc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)c3)cn2)CC1,MKFQHTPNKAXQMG-UHFFFAOYSA-N
-rxn:4:219778:222797,CCn1cc(-c2nc(-c3ccc(-c4cc(C)ccc4S(=O)(=O)NC(C)(C)C)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,BHZYHHGRIKJKEB-UHFFFAOYSA-N
-rxn:4:219780:226231,CCCCOc1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cc1C,MBWQLTPGGDTKKU-UHFFFAOYSA-N
-rxn:4:219890:223712,CCN1CCN(Cc2nn(C)cc2-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)CC1,RMDLYRHLVKJASK-UHFFFAOYSA-N
-rxn:4:219955:225192,O=C(C1CN(c2ncc(-c3cc(OC4CCCCC4)ncc3F)cn2)CCO1)N1CCSCC1,BYLHIIUFPAAYIB-UHFFFAOYSA-N
-rxn:4:219959:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2)CC1,ZYLZYPKWQAZKOE-BWZATIJHSA-N
-rxn:4:219991:224180,CN1CCN(CCOc2ccccc2-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)CC1,DDAJYVNVAVZHDA-UHFFFAOYSA-N
-rxn:4:220149:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(N5CC(C(=O)N6CCOCC6)CC5=O)[nH]nc4c3)cn2)C1,SKGGOKTYJLWGGG-UHFFFAOYSA-N
-rxn:4:220158:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5cnccn5)CC4C3)c2)CC1,AKXAMKVIYWRQRD-UHFFFAOYSA-N
-rxn:4:220162:224022,CSc1ncc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(N2CC(N3CC4CCCC4C3)C2)n1,HDHWVWCTGDQFGU-UHFFFAOYSA-N
-rxn:4:220222:225172,Cc1ccc(-c2cc(CN3CCOCC3)ccc2F)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,WWTPFMHKDGVJGW-UHFFFAOYSA-N
-rxn:4:220224:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2ccc(C3Cn4nnc(C(=O)N5CCCCCC5)c4CO3)cc2)c1,UGWFYPQQPPTXFZ-UHFFFAOYSA-N
-rxn:4:220430:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,DBTODFNFJAIZHW-UHFFFAOYSA-N
-rxn:4:221094:224198,CCN1CCN(Cc2ccc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)c(F)c2)CC1,BNFRRNCSDXUFGQ-UHFFFAOYSA-N
-rxn:4:221105:225607,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(C)N5CCCCC5)s4)cn3)C2)nc1C,FUZSJZULKPOEMQ-UHFFFAOYSA-N
-rxn:4:221112:227261,CCCOc1ccc(F)c(-c2ccc(OCC)c(S(=O)(=O)N3CCN(c4nc(C)cc(N(C)C)n4)CC3)c2)c1,KDFVXXLZOKJHST-UHFFFAOYSA-N
-rxn:4:221121:223104,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(NC(=O)C(F)(F)F)cc5)ccc43)CC2)CC1,FDIQBZWTLNZGRP-UHFFFAOYSA-N
-rxn:4:221152:222723,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,VBMSJVMPDJMFBR-UHFFFAOYSA-N
-rxn:4:221152:224132,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccccc3C(=O)N(C)C3CCCCC3)cn2)C1,AAJZXQZKHUEJBY-UHFFFAOYSA-N
-rxn:4:221154:222722,N#Cc1ncccc1N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)C1,CUAVHUZRSZEWGO-UHFFFAOYSA-N
-rxn:4:221169:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,ABOCKPVSIBUQBD-UHFFFAOYSA-N
-rxn:4:221172:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(OCC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc1,ZVNJDALXEVMBKL-UHFFFAOYSA-N
-rxn:4:221173:224796,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cncc(S(=O)(=O)OCC(C)(C)C)c4)cn3)C2)ccc1=O,YPDKMYGLNKQWNW-UHFFFAOYSA-N
-rxn:4:221175:228267,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)ccc(C)c4OC)cn3)C2)C(=O)C1=O,FWUYOPBCQQVLKU-UHFFFAOYSA-N
-rxn:4:221175:228741,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)ccc4Cl)cn3)C2)C(=O)C1=O,JHTYNFJIPQNOKN-UHFFFAOYSA-N
-rxn:4:221175:228787,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(OC)c4)cn3)C2)C(=O)C1=O,FODWGVGDAMUMHQ-UHFFFAOYSA-N
-rxn:4:221175:228793,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)cc(OC)c4)cn3)C2)C(=O)C1=O,GAKGMLPBWBIPQM-UHFFFAOYSA-N
-rxn:4:221175:228797,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(Cl)c4)cn3)C2)C(=O)C1=O,NDIVKXLCMOARJC-UHFFFAOYSA-N
-rxn:4:221180:225898,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)CC2)nn1C,HOQUGKNYYXAZGZ-UHFFFAOYSA-N
-rxn:4:221191:222780,Cc1cc(N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)NCCN(C)C)c4)cn3)C2)nc(C2CC2)n1,ALSNTYKKMIONDM-UHFFFAOYSA-N
-rxn:4:221230:224819,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cn3)C1)CCC2,ICPJJBLMXMXBGR-UHFFFAOYSA-N
-rxn:4:221232:225872,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)c(F)c(N5CCCC5)c4)cn3)C1)CCOC2,YLYDCSJZWKNHFM-UHFFFAOYSA-N
-rxn:4:221233:223866,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccccc5CN5C(C)(C)CCCC5(C)C)c4)CC3)ccc2n1,FBSYTDXBZRKMBM-UHFFFAOYSA-N
-rxn:4:221233:223945,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)c4)CC3)ccc2n1,IBPUKTOTUQHCQY-UHFFFAOYSA-N
-rxn:4:221250:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C4=NN(C(=O)CN5CCCCC5)C(c5nc6ccccc6[nH]5)C4)cc3)cc2C1,SMOUQTGGDUNDDO-UHFFFAOYSA-N
-rxn:4:221252:222485,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3C)c(F)c2)cc1,QXFIUKMILMEWOO-UHFFFAOYSA-N
-rxn:4:221269:225984,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,KUQMRKHNAIRHGK-UHFFFAOYSA-N
-rxn:4:221360:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cn(C)cn5)C4)nc3)cc2)CC1,JYGZWPWUPZLLGA-UHFFFAOYSA-N
-rxn:4:221363:222538,Cc1ccnc(N2CCCC(COc3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)C2)n1,FLUVSBNYBRPLLB-UHFFFAOYSA-N
-rxn:4:221369:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(Cl)c2)CC1,YSMWQBSDISNJTI-UHFFFAOYSA-N
-rxn:4:221379:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ncc(Cl)cn5)CC4)c3)cc2)CC1,LZFCLUBNFJOPNL-SOAUALDESA-N
-rxn:4:221394:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)cc2)CC1,QIZOETNSTYTLQG-UHFFFAOYSA-N
-rxn:4:221395:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,YEMHMQBISUSVHB-UHFFFAOYSA-N
-rxn:4:221395:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)CC1,KXLHCYQLNVNXGZ-UHFFFAOYSA-N
-rxn:4:221423:222835,CC(C)CC(=O)NCc1ccc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,ANDAMWGKBAOBOR-UHFFFAOYSA-N
-rxn:4:221438:225128,COC(=O)C1(c2ccc(F)c(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCC6C)nn5)CC4)o3)c2)CC1,QHADLZUOTBMWCZ-UHFFFAOYSA-N
-rxn:4:221440:222703,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)c(C5CCNCC5)c4)cc3)CC2)n1,VXRKUPKHIRFTKR-UHFFFAOYSA-N
-rxn:4:221442:224759,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(F)cc(C(=O)N4CCOCC4)c3)CC2)n1,FUSFQHZASXRPMT-UHFFFAOYSA-N
-rxn:4:221443:222748,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4cccc(C(=O)NCC5CCCO5)c4)c3)CC2)n1,BHPVLUDDPUXJSN-UHFFFAOYSA-N
-rxn:4:221449:226714,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C(=O)OC(C)(C)C)cc3)CC2)n1,HXOUBFWVYZGFIQ-UHFFFAOYSA-N
-rxn:4:221456:223279,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YMQJKCMGOSOPEA-UHFFFAOYSA-N
-rxn:4:221492:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)c3ccccc23)CC1,XTADTVGVZUHUDL-UHFFFAOYSA-N
-rxn:4:221492:223753,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)o4)CC3)n2n1,LIJWSAKNWIQTGR-UHFFFAOYSA-N
-rxn:4:221498:225550,CCCCC(=O)c1ccc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)cc1F,LEEZUTHLKVTRPQ-UHFFFAOYSA-N
-rxn:4:221500:223841,Cc1cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(c4ncccn4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,YSIOJVQKMBQQOC-UHFFFAOYSA-N
-rxn:4:221528:225172,CC(C)c1sc(-c2cc(CN3CCOCC3)ccc2F)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,NIQSKEBKVYSYRL-UHFFFAOYSA-N
-rxn:4:221642:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,SGOLRBDZLMFQRX-UHFFFAOYSA-N
-rxn:4:221702:222546,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2CCN2CCOCC2)n(C)c1=O,HDXFKAAGDREEOS-UHFFFAOYSA-N
-rxn:4:221761:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)cc2)c1,DPOZPYHESQZUHP-UHFFFAOYSA-N
-rxn:4:221822:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(n5cnc6ccccc65)C4)nc3)cc2[N+](=O)[O-])CC1,XTFJMWOUOCJAQY-UHFFFAOYSA-N
-rxn:4:221832:224396,Cc1cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1S(=O)(=O)N1CCOCC1,ZAPRIYHMZHCOGQ-UHFFFAOYSA-N
-rxn:4:221937:223945,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)nn1,KNIXYMBFQMIPBA-UHFFFAOYSA-N
-rxn:4:221943:224690,O=C1CCN(Cc2ccc(-c3cncc(C(=O)N4CC(n5cc(CN6CCCC6=O)nn5)C4)c3)c(F)c2)CC1,XBVNMHGZBNTJMX-UHFFFAOYSA-N
-rxn:4:221960:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cccc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c1,RUIIDLSCYBBLDT-UHFFFAOYSA-N
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-rxn:5:177191:225603:223065,N#CC1(c2cccc(-c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3CC(=O)C3CC3)c2F)CCC1,NWMDRNCDHFNXFD-UHFFFAOYSA-N
-rxn:5:177729:225438:223131,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(N4CCNCC4)cc3)c2)cc1)N1CCCC1,SUVWKOGONYYADA-UHFFFAOYSA-N
-rxn:5:177731:226663:225980,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccc(N2CCSCC2)nc1,OISODVLCCDNLIM-UHFFFAOYSA-N
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-rxn:5:190198:228241:225976,CC(=O)c1cc(-c2cccc(-c3ccnc(N4CCOCC4)c3F)c2CN(C)C2CCOCC2)ccc1F,KCKZQYJYLPGTFP-UHFFFAOYSA-N
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-rxn:5:190859:228214:226457,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cnc(C3CC3)cc1F)c2-c1ccc(C2CCOC2)c(F)c1,NBYQPQNGMQVSAZ-UHFFFAOYSA-N
-rxn:5:190998:226395:225849,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1N1Cc2cc(-c3cncc(N4CCCCC4)c3)ccc2OCC1=O,ZRVKVVAXLDYLFU-UHFFFAOYSA-N
-rxn:5:191026:227403:227810,CCC(C)c1ccc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5ccc(N6CCCCC6)s5)cc43)ccc2C)cc1,KVJKARKSBADOGS-UHFFFAOYSA-N
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-rxn:5:193052:225577:223173,N#Cc1cc(N2CCCC2)ccc1-c1ccc(C(=O)N2CCCC2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,GTINETFGCLYXBJ-UHFFFAOYSA-N
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-rxn:5:193230:226588:223006,O=C(c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,KQMHKBNXSQLBTB-UHFFFAOYSA-N
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-rxn:5:193972:228376:227387,Cc1cc(-c2cc(F)c(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,ORHFBSLIPMAZCK-UHFFFAOYSA-N
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-rxn:5:194733:227935:228469,CCc1cc(-c2ccc(-c3cc([N+](=O)[O-])cnc3C)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1OC,CSOMYBPRMFUGQP-UHFFFAOYSA-N
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-rxn:5:194767:227376:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCC5)c4)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,CBKAGGQQMUCIIV-UHFFFAOYSA-N
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-rxn:5:194792:227026:229026,Cc1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(C#N)c(C7CC7)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c(C)cn1,OBPFGUSGLUYLRT-UHFFFAOYSA-N
-rxn:5:196198:226664:225986,O=C1C=CC(=O)N1c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,PPGPTMHOTAPGJJ-UHFFFAOYSA-N
-rxn:5:196408:225395:225985,CC(C)(C)c1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)cc(C2CC2)c1,ZFYNDUYMASVRLW-UHFFFAOYSA-N
-rxn:5:196408:225986:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(C2=NOCCO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,DNQAQPDAFFQGPD-UHFFFAOYSA-N
-rxn:5:196619:225636:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(N2CCCC2=O)ccc1-c1ccnc(N2CCC(C)CC2)c1,XQDPNRKPMDHKCI-UHFFFAOYSA-N
-rxn:5:196619:225636:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(N2CCCC2=O)ccc1-c1ccnc(N2CCC(C)CC2)c1,XXHAQDBEAKYEEB-UHFFFAOYSA-N
-rxn:5:196620:225833:225931,Cc1cc(-c2ccc(N3CCCC3=O)c(-c3ccnc(N4CCCCC4)c3F)c2)cc(S(=O)(=O)N(C)C)c1,YYEXEDIFOHIRAJ-UHFFFAOYSA-N
-rxn:5:196620:225849:225931,Cc1cc(-c2ccc(N3CCCC3=O)c(-c3cnc(N4CCCCC4)cc3F)c2)cc(S(=O)(=O)N(C)C)c1,STDCHFNHPXGGLG-UHFFFAOYSA-N
-rxn:5:196790:225462:225456,CC1CCN(c2cccc(-c3cc(-c4ccc(C5CCN(C)CC5)cc4)ccc3N3CCOCC3=O)c2)CC1,UMPNMTOTQKUDST-UHFFFAOYSA-N
-rxn:5:196858:222958:222987,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2C)cc1C1CCNCC1,VGEQLCYGCPHRNN-UHFFFAOYSA-N
-rxn:5:196858:226686:223004,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccc(C2CCNCC2)c(F)c1,UDCFHFWWMZNCOJ-UHFFFAOYSA-N
-rxn:5:196916:225930:226366,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3ccnc(N4CCCCC4)c3)ccc2N2CCCCC2=O)c1,IAONADCXLXXGTR-UHFFFAOYSA-N
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-rxn:5:196917:223131:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(N3CCNCC3)cc2)=N1,OCDQOFBQWVMHGS-UHFFFAOYSA-N
-rxn:5:196917:223173:225633,CC1(C)COC(c2cc(-c3ccc(N4CCCCCC4)nc3)ccc2-c2ccc3c(c2)C(O)CS3(=O)=O)=N1,KQFCJTMNYDAGEP-UHFFFAOYSA-N
-rxn:5:196917:225576:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(N3CCCC3)c(C#N)c2)=N1,QAYYKPQBIBNPGY-UHFFFAOYSA-N
-rxn:5:196917:225834:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,HFMVXTZFIZKMET-UHFFFAOYSA-N
-rxn:5:196917:225926:226658,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)nc3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,GFFOMLPFKIZISP-UHFFFAOYSA-N
-rxn:5:196917:225926:226679,CC1(C)COC(c2cc(-c3cnc(N4CCCC4)cc3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,ISZPKLPTUVFYSG-UHFFFAOYSA-N
-rxn:5:196917:225985:223133,CC1(C)COC(c2cc(-c3ccccc3N3CCNCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WACMRAHCZVVPJC-UHFFFAOYSA-N
-rxn:5:196917:225985:226181,CC1(C)COC(c2cc(-c3ccc(C4=CCCCC4)nc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,AUMHAHOKHQTTKW-UHFFFAOYSA-N
-rxn:5:196917:225985:226364,CC1(C)COC(c2cc(-c3ccc(N4CCCCC4)nc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,XKVNZUOMBQMZAV-UHFFFAOYSA-N
-rxn:5:196917:225986:223131,CC1(C)COC(c2cc(-c3ccc(N4CCNCC4)cc3)ccc2-c2ccccc2N2CCCS2(=O)=O)=N1,NGMPGWLZXCOTDJ-UHFFFAOYSA-N
-rxn:5:196917:225986:226366,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3)ccc2-c2ccccc2N2CCCS2(=O)=O)=N1,IAVWOGWSTSSMNU-UHFFFAOYSA-N
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-rxn:5:196919:225985:226364,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCCCC3)nc2)=N1,BYTGDLDBYCPGQB-UHFFFAOYSA-N
-rxn:5:196919:225986:225849,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cnc(N3CCCCC3)cc2F)=N1,ZHINHNIVCAVQHZ-UHFFFAOYSA-N
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-rxn:5:196919:226658:225926,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,YXJBVKPCNNMWDL-UHFFFAOYSA-N
-rxn:5:196919:226658:225986,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,ZRZHRCIOXSHIFK-UHFFFAOYSA-N
-rxn:5:196919:226664:225926,CC1(C)COC(c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,NFCSTHWQRWIZQX-UHFFFAOYSA-N
-rxn:5:196922:226366:225931,Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,DKGQSLUKGSWWKX-UHFFFAOYSA-N
-rxn:5:196923:223065:223173,O=C1CCCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,SQIPUQOGEBSKAF-UHFFFAOYSA-N
-rxn:5:196969:225832:226158,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccccc1N1CCCCC1,NTEYOCMDGDCNIL-UHFFFAOYSA-N
-rxn:5:196970:222996:222988,Cc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(F)cc2C2CCCNC2)cc(C2CCNCC2)n1,VPCIBODEBZLUPC-UHFFFAOYSA-N
-rxn:5:196970:225832:223133,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccccc1N1CCNCC1,XFHNAHSVHOSHHY-UHFFFAOYSA-N
-rxn:5:196971:223002:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)cc2F)ncc1C1CCCCC1,IMEIGZNBPVEQPH-UHFFFAOYSA-N
-rxn:5:196971:226652:226686,Cc1cc(-c2cc(-c3c(C)cnn3C3CCCCO3)c(C3CCCCC3)cn2)n(C2CCCCO2)n1,HINHQTKKNCCFAV-UHFFFAOYSA-N
-rxn:5:197526:226349:223082,CNS(=O)(=O)c1c(C)cc(-c2c(-c3cc(F)cc(OC(C)(C)C)c3)ccc3c2C(=O)CN3C(C)=O)cc1C,IVRXRRYSWOGJAY-UHFFFAOYSA-N
-rxn:5:197876:223113:223421,CNC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)s1,SLRKTXVBPVISBI-UHFFFAOYSA-N
-rxn:5:197876:226366:227840,Cc1cccc(-c2cc3c(cc2-c2ccnc(N4CCCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1C1CC1,HOHWWTVWNSXHTF-UHFFFAOYSA-N
-rxn:5:197876:226763:228254,COC(=O)c1c(F)cc(-c2cc3c(cc2-c2ccc(OC)c(F)c2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,XVGIZSMGTVOUFW-UHFFFAOYSA-N
-rxn:5:197876:227409:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JVZVIXVIILCOCI-UHFFFAOYSA-N
-rxn:5:198558:226661:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4cc(N5CCN(C)CC5)cs4)ccc32)s1)N1CCOCC1,ASYYTFBDMQKQKC-UHFFFAOYSA-N
-rxn:5:225593:193462:227592,COc1cc(F)cc(-c2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2CN2CCC(=O)CC2)c1OC,IZAGQFDTEQCNPO-UHFFFAOYSA-N
-rxn:5:225639:181907:222985,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,BERLDBOTWUUSOH-UHFFFAOYSA-N
-rxn:5:225672:196970:222988,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cc(F)nc(C3CCCCC3)c2)cc(C2CCNCC2)n1,FAFAGTXYPMXXSE-UHFFFAOYSA-N
-rxn:5:225832:181623:223007,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)cc(C3CCNCC3)c2)ccc1C1OCCO1,YCMLLSRVYPVZNX-UHFFFAOYSA-N
-rxn:5:225832:183062:222981,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3ccnc(NC4CCCCC4)c3)c1)OCCCO2,DTDMALJLMQFYKR-UHFFFAOYSA-N
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-rxn:5:226061:178295:227813,CCc1cccc(CC)c1-c1ccc(-c2cc(C(C)C)cc(C3CC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,XTIJBHCUVPOCTC-UHFFFAOYSA-N
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-rxn:5:226215:193866:228177,COCc1ccc(F)cc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc2c(c1)CC/C2=N\OC,LNNQNMUOXYXQDG-WUVHBKSUSA-N
-rxn:5:226322:178295:225417,CCOc1ccc2ccccc2c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,GRMXUILPEMQBOV-UHFFFAOYSA-N
-rxn:5:226341:193866:228567,CCC(C)c1sccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1cc(C(C)C)c(F)cc1OC,OTNZBIYMRVDAOE-UHFFFAOYSA-N
-rxn:5:226366:196918:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2c(-c3ccnc(N4CCCCC4)c3)cccc2N2CCCCC2=O)c1,SEKXFEAFOOGSDW-UHFFFAOYSA-N
-rxn:5:226374:180022:223007,COc1c(-c2cc(F)cc(C3CCNCC3)c2)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,UPWOVNUMXQAUHD-UHFFFAOYSA-N
-rxn:5:226427:177190:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cc(N3CCC(C)CC3)cs2)c1,VINNYNBDODEPHJ-UHFFFAOYSA-N
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-rxn:5:226589:189671:223018,CC(C)c1cnc(C(F)F)cc1-c1cccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1/C=N/S(=O)C(C)(C)C,UEEPQFQCRKUTMQ-AABVJFSESA-N
-rxn:5:226652:178122:227458,Cc1cc(-c2ccc(COC3CCCCO3)c(-c3cnc4c(c3)OCCN4C)c2)n(C2CCCCO2)n1,BUMVHCXXFJHIMM-UHFFFAOYSA-N
-rxn:5:226652:181908:223064,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCNCC3)nc2F)n(C2CCCCO2)n1,YZISNMHJHHCZMQ-UHFFFAOYSA-N
-rxn:5:226654:182009:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2csc(N3CCC(C)CC3)n2)c(C2CCOCC2)c1,JJRBCWRBIBQXCI-UHFFFAOYSA-N
-rxn:5:226679:196916:225931,Cc1cc(-c2ccc(N3CCCCC3=O)c(-c3cnc(N4CCCC4)cc3F)c2)cc(S(=O)(=O)N(C)C)c1,XOWPUBOWNMCLFU-UHFFFAOYSA-N
-rxn:5:226686:182010:222998,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)ccc1C1CCOCC1,IEEAXGYGMVKPGO-UHFFFAOYSA-N
-rxn:5:226686:182010:223064,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C1CCOCC1,KTPZQNYVGVKJES-UHFFFAOYSA-N
-rxn:5:226686:182010:225633,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCCCCC3)nc2)ccc1C1CCOCC1,YJLRBUMMIGGBAN-UHFFFAOYSA-N
-rxn:5:226686:183189:225880,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCOCC3)ncc2F)cc2c1OC(C)(C)OC2,NPMWPGGPRXKRQY-UHFFFAOYSA-N
-rxn:5:226778:180421:225683,COc1cc(-c2cc(CC3CCCCC3)ccc2-c2ccc(C3CCCOC3)nc2C)c(F)c(F)c1OC,FGBQZPOIJRJQPO-UHFFFAOYSA-N
-rxn:5:226914:178295:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(CC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MPFJRTZACHDUDR-UHFFFAOYSA-N
-rxn:5:226914:178295:227944,COC(=O)C1(c2cc(-c3cncc(C(C)(C)C)c3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,XUIGEEICCVKRDA-UHFFFAOYSA-N
-rxn:5:226914:178295:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,GURTYQYMJIUJTN-UHFFFAOYSA-N
-rxn:5:226917:178295:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C)cc(C(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,LIGQPLUCXZETAS-UHFFFAOYSA-N
-rxn:5:226917:178295:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2cc(C)cc(C(C)(C)C)c2)CCC(=O)CC1,HZUNOEGBGWWBQG-UHFFFAOYSA-N
-rxn:5:226918:178295:227941,COCc1cc(C)cc(-c2ccc(-c3ccc(C4=CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BJBLSVJIINANBX-UHFFFAOYSA-N
-rxn:5:226918:178295:227974,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3C)ccc2-c2ccc(C3=CCCC3)cc2)CCC(=O)CC1,CZUNMAXBIJXGNT-UHFFFAOYSA-N
-rxn:5:226920:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,NQSZTGMSSKREHW-UHFFFAOYSA-N
-rxn:5:226920:178295:227905,COC(=O)C1(c2cc(-c3ccnc(CC(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,TXRBUAJXVFTYPQ-UHFFFAOYSA-N
-rxn:5:226923:178295:228179,COCc1cc(F)cc(-c2ccc(-c3cc(C)c(C4CC4)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XYHNKVAWNFVJJY-UHFFFAOYSA-N
-rxn:5:226959:178295:228401,COC(=O)C1(c2cc(-c3c(F)ccc(F)c3OC)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,KOKMDUNAFJMJPW-UHFFFAOYSA-N
-rxn:5:226974:178295:227810,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)COC4(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,LYUDRLZBKVZOMT-UHFFFAOYSA-N
-rxn:5:226974:178295:227941,COCc1cc(C)cc(-c2ccc(-c3ccc4c(c3)COC4(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BPWKOKNRLPVZQW-UHFFFAOYSA-N
-rxn:5:227038:178295:227944,COC(=O)C1(c2cc(-c3cncc(C(C)(C)C)c3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,PETVOXVEQXQHGY-UHFFFAOYSA-N
-rxn:5:227040:178295:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(C)ccc2OC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,SEKXRVZLHOUMPK-UHFFFAOYSA-N
-rxn:5:227065:178295:228326,COC(=O)C1(c2cc(-c3cc(OC)nc(OC)c3)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,ZNEUHAARPMJKHN-UHFFFAOYSA-N
-rxn:5:227067:178295:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2ccc(OC)cc2C2CC2)CCC(=O)CC1,YIQFJTUEDJXPCI-UHFFFAOYSA-N
-rxn:5:227070:178295:227807,CCOc1cc(C)c(C)cc1-c1ccc(-c2cccc3c2CCCC3)cc1C1(C(=O)OC)CCC(=O)CC1,AAQMKCNUZSFBAJ-UHFFFAOYSA-N
-rxn:5:227071:178295:228144,CCCc1ccc(-c2ccc(-c3c(C)cc(COC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,IJBBSYUINCUONQ-UHFFFAOYSA-N
-rxn:5:227076:178295:227312,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)CC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UOWMSDLMZZAFRV-UHFFFAOYSA-N
-rxn:5:227084:189207:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2ccc(C(C)(C)C)nc2C)cc1C(=O)ON1C(=O)CCC1=O,VDELSOULBALFPA-UHFFFAOYSA-N
-rxn:5:227087:193506:226159,Cc1cnc(C(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(N4CCCCC4)c3)c2)c1,SBNMEHRIJLSGOS-UHFFFAOYSA-N
-rxn:5:227087:193506:227081,Cc1cnc(C(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCC4)cc3)c2)c1,KJFPAVVIKDOYDU-UHFFFAOYSA-N
-rxn:5:227087:193506:227082,Cc1cnc(C(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3N3CCCC3)c2)c1,VVDVCSKTFKXYRZ-UHFFFAOYSA-N
-rxn:5:227102:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,RQHUXPMGFDKONG-UHFFFAOYSA-N
-rxn:5:227288:178295:228416,COC(=O)C1(c2cc(-c3c(F)cc(F)cc3OC)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,IGESLZRLKDYCCD-UHFFFAOYSA-N
-rxn:5:227311:190484:227409,CCC(C)c1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cn1,BYBAXNCXOXRFCK-UHFFFAOYSA-N
-rxn:5:227342:178295:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(C(=O)OC)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PRXURKGORZXVEX-UHFFFAOYSA-N
-rxn:5:227357:178295:228721,CCC(=O)c1cc(-c2ccc(-c3ccnn3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,ZBCFYUOTSOXMIY-UHFFFAOYSA-N
-rxn:5:227415:197876:225438,CC(c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N1CCCC1,CNHBFCAXRFGOPT-UHFFFAOYSA-N
-rxn:5:227447:178295:227942,CCc1ccc(-c2ccc(-c3c(F)ccc(C4CC4)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,KZAYYIMMBMZXJJ-UHFFFAOYSA-N
-rxn:5:227568:178295:228437,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3F)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,ILNUOOQSXDSBNM-UHFFFAOYSA-N
-rxn:5:227574:193807:225672,COc1c(F)ccc(-c2c(CN3CCC(C)CC3)cccc2-c2cc(F)nc(C3CCCCC3)c2)c1OC,BQIQMEWBZPOCCV-UHFFFAOYSA-N
-rxn:5:227591:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C(F)F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,SUXZXORRORIEDL-UHFFFAOYSA-N
-rxn:5:227808:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,GCVQAMZSDHQTTG-UHFFFAOYSA-N
-rxn:5:227813:178295:226769,CCc1cccc(CC)c1-c1ccc(-c2cc(C(=O)OC)cc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,RZBIZFADVDPWMQ-UHFFFAOYSA-N
-rxn:5:227818:178295:227415,CCC(C)c1cccc(-c2ccc(-c3ccc(C(C)(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QZUCMYUCHGUYFO-UHFFFAOYSA-N
-rxn:5:227818:178295:227588,CCC(C)c1cccc(-c2ccc(-c3c(OC)cc(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KQUYSPLNVVOBKW-UHFFFAOYSA-N
-rxn:5:227828:178295:227071,COCc1cc(C)c(-c2ccc(-c3cccc(C4CC4)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,GYOLNMMKXAJAQG-UHFFFAOYSA-N
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-rxn:5:227980:193506:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,LLLXGIFMPTVPQZ-UHFFFAOYSA-N
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-rxn:5:228716:193870:225666,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)cc(N3CCCCC3)c2)cc1-c1cnc(C#N)c(C)c1,MYVQMHWYWXHNRP-UHFFFAOYSA-N
-rxn:5:229087:178295:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2sccc2C(C)=O)CCC(=O)CC1,RDIHMMNBAGPHGV-UHFFFAOYSA-N
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-rxn:4:173371:222630,COC(=O)c1cc(C(=O)OC)c(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c(C(=O)OC)c1,QWSICTJEKUTMLK-UHFFFAOYSA-N
-rxn:4:173395:223998,CCOCc1cc(C(=O)OCC)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,PEQQXUILPNVWLJ-UHFFFAOYSA-N
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-rxn:4:173574:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2cccc(C(=O)CCCCC3OCC(C)(C)CO3)c2)c1,OAHGKVXIHUPHOA-UHFFFAOYSA-N
-rxn:4:173673:223110,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cc(-c3ccc(CNC(C)(C)C)cc3)ccc1OC)C2=O,DXCJIZIJRSHLSB-UHFFFAOYSA-N
-rxn:4:173808:225717,COCCOCc1ccc(F)cc1-c1cccc(C(F)(F)F)c1OC(C(F)(F)F)C(F)(F)F,XJMWGESCZHFTPE-UHFFFAOYSA-N
-rxn:4:173809:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)c1,MDZZSRCXJCOYRK-UHFFFAOYSA-N
-rxn:4:173963:223559,CCC(Oc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1)C(=O)OC,LHWMDIZGRUFLDM-UHFFFAOYSA-N
-rxn:4:174196:222720,COc1ccc(-c2ccc(N3CCNCC3)cc2C(F)(F)F)cc1OCCC1OCCO1,HQCGKWQJCNVCRK-UHFFFAOYSA-N
-rxn:4:174407:222467,COC(=O)C1(c2cccc(-c3ccc(NC(=O)OC(C)(C)C)c4ccccc34)c2)CC(OC)(OC)C1,PXMOJBPQAKMJPF-UHFFFAOYSA-N
-rxn:4:174407:223847,CCCCCC1CCC(c2ccc(-c3cccc(C4(C(=O)OC)CC(OC)(OC)C4)c3)cc2)CC1,FXZBGMJHFKHFHI-UHFFFAOYSA-N
-rxn:4:174425:223559,COc1cc(OC)cc(C(=O)c2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2OC)c1,BPOXYNYZFXZAOP-UHFFFAOYSA-N
-rxn:4:174471:225163,CC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)cc1-c1ccccc1C(=O)N1CCOCC1,VFSFCDHUNWRRJZ-UHFFFAOYSA-N
-rxn:4:174495:223559,COc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,RFYIKRNCNLTDDK-UHFFFAOYSA-N
-rxn:4:174522:223929,CC(C)[Si](C#Cc1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1)(C(C)C)C(C)C,OVHFSZOCRSQKCL-UHFFFAOYSA-N
-rxn:4:174528:224967,COC(=O)c1cc(-c2c(OC)ccc(C)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(C(C)(C)C)c1,ASRHVSLRZCOJTF-UHFFFAOYSA-N
-rxn:4:174574:222814,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccnc(NC(=O)OC(C)(C)C)c3F)cc1)C2=O,WFDSYRRAQOXRIP-UHFFFAOYSA-N
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-rxn:4:175851:223559,COc1ccc(C(=O)c2ccc(OC)c(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)cc1,NLIVUMOVWNDPSG-UHFFFAOYSA-N
-rxn:4:175933:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,ZSXZMJJXZFGVFO-YHBQERECSA-N
-rxn:4:175982:222389,CCOC(=O)C1(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CCOCC1,ONHJPVQWAIGPLE-UHFFFAOYSA-N
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-rxn:4:176143:223482,CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,KAAIASVKHAZYLW-UHFFFAOYSA-N
-rxn:4:176182:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)ccc2OC)CC1,WOXGGYXSASLALW-UHFFFAOYSA-N
-rxn:4:176295:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccccc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,QHAHCALFOJDAAX-UHFFFAOYSA-N
-rxn:4:176532:223539,C#Cc1cccc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1OCC,UWVCAZZBJYBGIJ-UHFFFAOYSA-N
-rxn:4:176539:223493,COC(=O)Cc1cccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c1,RFIQVDLTBVGYFZ-UHFFFAOYSA-N
-rxn:4:177166:223606,CS(=O)(=O)CCc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,WXWVZQLHZXJDQC-UHFFFAOYSA-N
-rxn:4:177360:223660,Cc1cccc(OCC(C)(F)F)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1,ROBAYNDLDALRFZ-UHFFFAOYSA-N
-rxn:4:177404:223698,O=S(=O)(c1cc(-c2cccc(OC(F)(F)F)c2C2OCCO2)ccc1OC(F)(F)F)N1CCCC1,HKRGWFUUAHCMMR-UHFFFAOYSA-N
-rxn:4:177979:222466,COC(=O)C1(C)OC1(C)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,FEJHXKJNVNHNBZ-UHFFFAOYSA-N
-rxn:4:177979:223928,COC(=O)C1(C)OC1(C)c1ccccc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,HIICSRFOVRBHCZ-UHFFFAOYSA-N
-rxn:4:178018:223815,COc1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc(OC)c1C1OCCO1,CFSIRZXWOYJQNH-UHFFFAOYSA-N
-rxn:4:178295:223891,COC(=O)C1(c2cc(Cl)ccc2-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)CCC(=O)CC1,DJFCUAXDNNUCJS-UHFFFAOYSA-N
-rxn:4:178382:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1,QHXZDGQALMCLAH-UHFFFAOYSA-N
-rxn:4:178382:223488,CC(C)(C)OC(=O)n1c(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cc2cc(Oc3ccccc3)ccc21,OSAKKBDWZIYZDG-UHFFFAOYSA-N
-rxn:4:178384:224356,CC(C)(C)OC(=O)n1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc2sc(Cl)cc21,ILEJDYCYYPUTJO-UHFFFAOYSA-N
-rxn:4:178384:224747,COc1ccc(-c2ncc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(Cl)n2)cc1,SGHBWUHDSGOKTQ-UHFFFAOYSA-N
-rxn:4:178384:225147,COc1cccc(-c2ncc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cn2)c1,KOBYCSBAYNLJAP-UHFFFAOYSA-N
-rxn:4:178384:225795,COc1cc(-n2cccn2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IDUCHYVEPOEFDT-UHFFFAOYSA-N
-rxn:4:178384:225916,COC(=O)c1cc(OC)c(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,HTNAYFGFVKUOQF-UHFFFAOYSA-N
-rxn:4:178384:225960,Cc1nccn1-c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cn1,PMSSMYYFANPCKI-UHFFFAOYSA-N
-rxn:4:178384:228089,CCCOc1ncccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,BRGRXYIXYZEGPV-UHFFFAOYSA-N
-rxn:4:178384:228454,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(OC)nn1,IUHZYZLKXAMVLX-UHFFFAOYSA-N
-rxn:4:178384:228506,CCCc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,KKNYDXFRCPKKCF-UHFFFAOYSA-N
-rxn:4:178384:228612,COc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1C,DOZDNWCHFBMLEX-UHFFFAOYSA-N
-rxn:4:178497:222716,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc1S(=O)(=O)C12CC(C1)C2,KDQZTLGTPMUBFG-UHFFFAOYSA-N
-rxn:4:178597:228194,Cc1nn(C(C)C)c(C)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,GWPCJPIGSNORPX-UHFFFAOYSA-N
-rxn:4:180028:222466,COc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc(F)c1C1OCCO1,XDQQIQURIQUYHB-UHFFFAOYSA-N
-rxn:4:180344:222465,Fc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)ccc1OC1CCCCC1,PKOYKUKIQGYQSM-UHFFFAOYSA-N
-rxn:4:180507:224755,C[Si](C)(C)c1c(C2OCCO2)cc(-c2cc(C(=O)N3CCOCC3)ccc2F)c(F)c1F,RIHBISKVBOBMIO-UHFFFAOYSA-N
-rxn:4:180652:222466,COC(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c2c1C=CCO2,UVEZEMPKNUTJGJ-UHFFFAOYSA-N
-rxn:4:180691:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(OC)c4c3CCC4=O)c(F)c2)CC1,WFLAJFHOSGXLCA-WGSAOQKQSA-N
-rxn:4:180792:224650,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3OCC3CCOCC3)cc1C2=O,HMMFCXGVULUDBX-UHFFFAOYSA-N
-rxn:4:182019:223696,O=C1CC(=O)CC(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2)C1,UACNCVRCNQURSP-UHFFFAOYSA-N
-rxn:4:182371:223583,COC(=O)c1ccc2c(-c3cc4c(c(C(C)C)c3)OC(C)(C)CC4)cn(C(=O)OC(C)(C)C)c2c1,LLMOIQUIXQRTED-UHFFFAOYSA-N
-rxn:4:182372:223530,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc1C2=O,XDQXHHGAEOCBOR-ZVXLFCPWSA-N
-rxn:4:182372:224100,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccccc3OCCN3CCC(C)CC3)cc1C2=O,HUGJHMVEBWRHJW-YLIUREIVSA-N
-rxn:4:182374:222639,CC(=O)c1cc2c(cc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)C(C)(C)CCC2(C)C,FTGVANWRAVCVFD-SFHVURJKSA-N
-rxn:4:182376:222468,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc5cc(NC(=O)OC(C)(C)C)ccc5c4)cc3C2=O)C[C@@H]1C,ULCKGDKTCIOZOW-VYPLZTKWSA-N
-rxn:4:182376:224132,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccccc4C(=O)N(C)C4CCCCC4)cc3C2=O)C[C@@H]1C,NEJWMKCJGZVPJA-PPCJMJFASA-N
-rxn:4:182376:224705,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCC(C)CC5)c(F)c4F)cc3C2=O)C[C@@H]1C,ASBJDZZQUKCLAR-UBHXRJOGSA-N
-rxn:4:183169:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C)c4c(c3C)C(=O)CC4)cc21,SXVFVWKGYYWCEJ-UHFFFAOYSA-N
-rxn:4:183195:222524,O=C1CCCS(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc21,ULOIIRHSNAYRSA-UHFFFAOYSA-N
-rxn:4:183273:226015,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OC(F)(F)F)c1,VBXVZORCOJVXDO-UHFFFAOYSA-N
-rxn:4:183274:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCOCCO2,JWIJQCNHRJWGES-UHFFFAOYSA-N
-rxn:4:183274:228701,c1cc2c(cc1-c1cnc(C3CC3)nc1)OCCOCCOCCOCCOCCOCCOCCO2,ATENYKUCAJSZQX-UHFFFAOYSA-N
-rxn:4:183482:224762,CCOC(=O)C(=O)Cc1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)cc1[N+](=O)[O-],PBUXECBHYWPSOZ-UHFFFAOYSA-N
-rxn:4:183492:222542,CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1-c1ccc(C)c(OCCCN2CCNCC2)c1,UVSFMCGTZYTFFM-UHFFFAOYSA-N
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-rxn:4:183597:224365,CCCCOc1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N(C)C)cc(C(F)(F)F)c1F,OSYLAMQRUOZTAX-UHFFFAOYSA-N
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-rxn:4:183885:226844,O=C(c1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,BXYZHTKCXONYSM-UHFFFAOYSA-N
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-rxn:4:185026:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(SC2CN(C(=O)OC(C)(C)C)C2)cc1,DLXRODBQAOFYQY-UHFFFAOYSA-N
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-rxn:4:185099:222713,CCOC(=O)C1CCN(C(=O)c2ccc(-c3cc(OC)ccc3S(=O)(=O)NC(C)(C)C)cc2)CC1,ONSKKOWUBSJLNK-UHFFFAOYSA-N
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-rxn:4:185140:225575,COC(=O)c1ccc(-c2cc(CCN3CCCC(C(=O)OC)C3)ccc2F)cc1C1CC1,DEFKFFYKNRIGFE-UHFFFAOYSA-N
-rxn:4:185143:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(N(C(=O)CC(C)C)C4C=CS(=O)(=O)C4)cc3)cc2)CC1,SAENIJRQCQIXFY-UHFFFAOYSA-N
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-rxn:4:185201:224842,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C,HYAINTJVZDNDRH-UHFFFAOYSA-N
-rxn:4:185208:224398,Cc1cc(F)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1S(=O)(=O)N1CCCC1,DONSHPBXPLHKLV-UHFFFAOYSA-N
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-rxn:4:185263:226494,CCN(CC)c1ncc(-c2c(F)cc(N3CCC(C(OC)OC)CC3)cc2OC)c(C)n1,UJKCRBIFOJMTOW-UHFFFAOYSA-N
-rxn:4:185278:224691,O=C(c1cccc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,PFDDMSAGQFMRIG-UHFFFAOYSA-N
-rxn:4:185306:222800,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1,BJABWIUCWQDSMI-UHFFFAOYSA-N
-rxn:4:185371:223974,CC1CCN(c2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(C(F)(F)F)c2)CC1,JLWVQWGCIVQSJK-UHFFFAOYSA-N
-rxn:4:185374:222723,O=C(Cc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,OHIFLAJDQOORNS-UHFFFAOYSA-N
-rxn:4:185374:224819,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1,YMDAYUONHBLHFU-UHFFFAOYSA-N
-rxn:4:185375:222855,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(C2CCCNC2)c1,BMHOTEMZVNMTCJ-UHFFFAOYSA-N
-rxn:4:185415:222624,CC(C)Cc1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCNCC2)n1,RJECIYNQHHYHAR-UHFFFAOYSA-N
-rxn:4:185418:223097,CNC(=O)c1cc(-c2ccccc2C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)cc([N+](=O)[O-])c1,DEVUSKXAYVRRKX-UHFFFAOYSA-N
-rxn:4:185421:223743,Cc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2C2CC2)cc1OCCCN1CCC(C)CC1,XTDBAOBAUYSACJ-UHFFFAOYSA-N
-rxn:4:185439:227808,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc3c(c2)CCCC3)cc(C2CC2)c1,QXDDZOCUKCFGOD-UHFFFAOYSA-N
-rxn:4:185442:224643,COc1cccc(Oc2ccc(-c3cc(C4COC4)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cn2)c1,VGHGOLBJRCTQKQ-UHFFFAOYSA-N
-rxn:4:185448:228441,CSc1ccc(-c2cc(C3CCOCC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1F,SYQMOSPNCAPGTB-UHFFFAOYSA-N
-rxn:4:185509:226126,COCc1cc(-c2cc3c(cc2C(=O)OC)N(C(=O)OC(C)(C)C)CC3)ccc1C1CC1,XAOWVLZIGBPLLL-UHFFFAOYSA-N
-rxn:4:185571:223085,O=C(C1COc2ccccc2O1)N(Cc1ccc(-c2cnc(Cl)c(N3CCC(O)C3)c2)o1)C1CCS(=O)(=O)C1,LRYVOCOSDLPJLK-UHFFFAOYSA-N
-rxn:4:185645:222438,O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3cc4sc(=O)oc4c4ccccc34)cc2)c1,NSZUGLVOOXUIGK-UHFFFAOYSA-N
-rxn:4:185648:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(S(=O)(=O)N(C(=O)C4CCCCC4)c4ccc5oc6c(c5c4)CCCC6)cc3)cn2)CC1,DLVXGKDHECNJKN-UHFFFAOYSA-N
-rxn:4:186130:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cc([N+](=O)[O-])c(C)cc1OCC(F)(F)F,NHHJFWRQJOYTDU-UHFFFAOYSA-N
-rxn:4:186277:223506,COC(=O)Cc1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(N)(=O)=O,LYLFODFUJWHFDS-UHFFFAOYSA-N
-rxn:4:186693:222538,COc1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)ccc1C(=O)N(C)C1CC1,VCFFQIJZHKBXCU-UHFFFAOYSA-N
-rxn:4:186799:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc(OCC(=O)N3CCOCC3)c(F)c2)c1,CPJXLYAHTFFIDE-UHFFFAOYSA-N
-rxn:4:186949:222631,CC(C)(C)c1cc(-c2cccc(OCC(=O)N3CCCCC3)c2)cc(C2CCNCC2)n1,YRNKZECHVDDTHY-UHFFFAOYSA-N
-rxn:4:187000:222943,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cc2)C1,HJZPJCHFJQVGAV-UHFFFAOYSA-N
-rxn:4:187035:223712,COc1ccc(-c2ccc(OCCN3CCCC3)c(C)c2)cc1C12CC3CC(CC(C3)C1)C2,LAEWNDRUHYYVCK-UHFFFAOYSA-N
-rxn:4:187047:223686,CCOc1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)c1CN1CCCC1,MXOAUTKBJNTHOR-UHFFFAOYSA-N
-rxn:4:187055:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2cc(OCC3CCCCC3)cc([N+](=O)[O-])c2)c1,RJFYGEXWDLLMJQ-UHFFFAOYSA-N
-rxn:4:187056:222742,O=[N+]([O-])c1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1OCC1CCCCC1,SKLVVIKXKYYPLT-UHFFFAOYSA-N
-rxn:4:187127:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCCC3)cc2)c1,GFWWDTLDUHXEKQ-UHFFFAOYSA-N
-rxn:4:187132:224961,COC(=O)c1cc(C(=O)N2CCCCC2)cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1,HCSDJMNDGAJOEL-UHFFFAOYSA-N
-rxn:4:187151:224412,O=C(Cc1ccc(F)cc1-c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCCC(C(F)(F)F)C1,CUEQBKXDPUZEGR-UHFFFAOYSA-N
-rxn:4:187182:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(C(=O)OC)CC4)cc3)c(F)c2)CC1,BZXXFSMPGUASPQ-AFARHQOCSA-N
-rxn:4:187223:224009,COc1ccc(-c2cc(C(F)F)ccc2N2CCC(OC(C)=O)CC2)cc1S(=O)(=O)N1CCOCC1,IQGLVRZNWJGVDB-UHFFFAOYSA-N
-rxn:4:187301:224061,CCCC1CCC(c2ccc(-c3ccc(Cl)c(CCN4CCC(OC)CC4)c3)c(F)c2)CC1,AZLNGGUETINVJC-UHFFFAOYSA-N
-rxn:4:187389:226825,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cc(Cl)c(C(F)(F)F)cc1C,DSUOKHAZZIXHLI-UHFFFAOYSA-N
-rxn:4:187427:222776,COC(=O)c1cc(-c2ccc(CN3CCC(O)CC3)cc2F)ccc1CN1CCCC(C)C1,SVYHKRPPDOXQCT-UHFFFAOYSA-N
-rxn:4:187433:225607,COC(=O)c1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(CN2CCCC(C)C2)c1,WRPMZEBYVMQDQF-UHFFFAOYSA-N
-rxn:4:187446:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)N=C(c4ccccc4)C(C)(C)C)cc3)cc21,VAUHGSDUDRWMFA-UHFFFAOYSA-N
-rxn:4:187470:224394,COc1ccc(C=C2SC(=S)N(c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCOCC5)c4)cc3)C2=O)c(OC)c1,XLIHXUDOOJQYST-UHFFFAOYSA-N
-rxn:4:187477:224634,COc1ccc(-c2cc(CN3CCCCC3)ccc2OC(C)C)cc1CN1CCOCC1,TUYUCSYILVQIPS-UHFFFAOYSA-N
-rxn:4:187542:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(CN4CCC(C)CC4)c(OC)c3)c(F)c2)CC1,FSBPSDUYXQUQNW-YHBQERECSA-N
-rxn:4:187543:224570,COc1cc(-c2ccc(C(C)N3CCN(C)CC3)cc2)cc(OC)c1CN1CCCC(C)C1,PLWHAUQGMKZEKN-UHFFFAOYSA-N
-rxn:4:187550:224490,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1ccccc1OCCN1CCCCC1,DBJVEHVMZCKYMV-UHFFFAOYSA-N
-rxn:4:187573:225127,Cc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c(OCC(C)C)c1F,NPWQBKHIEBSVMW-UHFFFAOYSA-N
-rxn:4:187618:222853,O=C(c1cccc(-c2ccccc2-c2ccc(CN3CCC(O)CC3)cc2)c1)N1CCCC(C(F)(F)F)C1,VJCDMBGIZPCVID-UHFFFAOYSA-N
-rxn:4:187622:224596,COc1cc(N2CCCCC2C)ccc1-c1cc(CN2CCC(C)CC2)ccc1OC(C)C,KOGHLUAHFJJKJT-UHFFFAOYSA-N
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-rxn:4:187634:224949,COc1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc1CN1CCCC1,TZZWNQIDLHPIPT-UHFFFAOYSA-N
-rxn:4:187643:224324,O=C1CCN(C(=O)c2cc(-c3ccccc3CCC(=O)N3CCC4(CC3)OCCCO4)ccc2F)CC1,KAJVGFLKXMKPKZ-UHFFFAOYSA-N
-rxn:4:187658:226307,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(C)cc(COC)c2OC)c(C)cc1C,BLTIMJLSAVGSGO-UHFFFAOYSA-N
-rxn:4:187682:224775,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cccc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)c1,HQIXRRDCXKXRTD-UHFFFAOYSA-N
-rxn:4:187688:224669,CN1CCN(Cc2ccc(-c3ccc(C(=O)c4ccc(CN5CCC6(CC5)OCCO6)cc4)cc3F)c(F)c2)CC1,AQGBMTREKUKFKP-UHFFFAOYSA-N
-rxn:4:187691:224492,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccc(CCC(=O)N3CCCC3)cc2)cc1F,NOKJVGOOPHWXDT-UHFFFAOYSA-N
-rxn:4:187693:223133,O=C(c1ccc(-c2ccccc2N2CCNCC2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,MMLVTRQUKOJNRY-UHFFFAOYSA-N
-rxn:4:187693:223755,CC1CCN(CCCOc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c(F)c3)cc2F)CC1,HOQZNJRTWHXOEG-UHFFFAOYSA-N
-rxn:4:187896:222639,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1,URSVXLHTCKCOQS-FQEVSTJZSA-N
-rxn:4:187896:224329,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,ZVNHMPPHCQYWIK-UHFFFAOYSA-N
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-rxn:4:187917:225733,CCCCOc1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(SC)C3)c(F)cc1F,VHBGWCNTAFYUFC-UHFFFAOYSA-N
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-rxn:4:187962:222850,COc1ccc(CN2C(=O)c3c(F)cc(-c4cc(C5CCNCC5)ccc4C#N)cc3C2(C)C)c(OC)c1,NQYODLYFNVJKSH-UHFFFAOYSA-N
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-rxn:4:187970:224325,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c2ccccc21,NFFWBLCQCGTAFW-UHFFFAOYSA-N
-rxn:4:187990:222843,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccc(C)cc2C(=O)NC(C)(C)C)cc1,UHWNHOBNQUKSKH-UHFFFAOYSA-N
-rxn:4:188006:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C#N)ccc1OCC12CC3CC(CC(C3)C1)C2,BOTUSHMLLNMDCE-UHFFFAOYSA-N
-rxn:4:188006:225876,N#Cc1ccc(OCC23CC4CC(CC(C4)C2)C3)c(-c2cc(Cl)ccc2N2CCOCC2)c1,QEDBIWJBAHKXSK-UHFFFAOYSA-N
-rxn:4:188558:223559,COC(=O)c1cc(OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)n1,BUFFNCHXTALCSH-UHFFFAOYSA-N
-rxn:4:188813:223606,CCOC(=O)c1c(C)ccnc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,PTXKZYJZMBVXMT-UHFFFAOYSA-N
-rxn:4:188907:223591,COC(=O)c1c([N+](=O)[O-])ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1C,JGEYPVJNAJJMPI-UHFFFAOYSA-N
-rxn:4:189558:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(OC4CCOCC4)c(C#N)c3)cc2C1,IOPXQXMTOSJTOJ-UHFFFAOYSA-N
-rxn:4:189834:224325,COc1cc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc(C(=O)N2CCCC2)c1F,KSDDXAUXWPCDAY-UHFFFAOYSA-N
-rxn:4:189855:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc(OC3CCC(F)(F)CC3)c(C#N)c2)c1,UQTWJXWMGJQMGM-UHFFFAOYSA-N
-rxn:4:189871:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)N5CCOCC5)c(C(F)(F)F)c4)c3C(=O)C1C2(C)C,SFMVEXHXDPNJSX-UHFFFAOYSA-N
-rxn:4:189918:222542,Cc1ccc(-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)cc1OCCCN1CCNCC1,OHLVJYMDVRWOMM-UHFFFAOYSA-N
-rxn:4:189925:222439,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc1C(=O)N1CCOCC1,JLMBCSGJRYKEPI-UHFFFAOYSA-N
-rxn:4:189987:222537,COc1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)ccc1CN1CCOCC1,OCUWNECZWUPSGH-UHFFFAOYSA-N
-rxn:4:190181:223812,COc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1CN1CCCCC1,YCPFHPDKKNPNGO-UHFFFAOYSA-N
-rxn:4:190246:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(C3=NC(=Cc4ccc(OC)cc4)C(=O)O3)cc1)n2C(=O)OC(C)(C)C,ICVIAMIMOWLTKF-UHFFFAOYSA-N
-rxn:4:190311:223539,COc1ccc(-c2ccc(F)cc2CCN2CCC(C)CC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,YWOQKKDZWZLUEN-UHFFFAOYSA-N
-rxn:4:190330:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C2CCCN2S(=O)(=O)C(C)C)cc1,XBHXBTYIHAYAQC-UHFFFAOYSA-N
-rxn:4:190354:223659,Cc1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,PZWGCKQLXWRDPS-UHFFFAOYSA-N
-rxn:4:190354:225639,Cc1cc(-c2cccnc2N2CCC(C)CC2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,PAQXCGALCXZOQO-UHFFFAOYSA-N
-rxn:4:190354:227403,Cc1cc(-c2ccc(N3CCCCC3)s2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,VQPHGBLVYCNZCI-UHFFFAOYSA-N
-rxn:4:190364:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(CN3CCC(C)CC3)ccc2OC)CC1,FEZOIWSBRYNMLO-UHFFFAOYSA-N
-rxn:4:190374:222944,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1S(=O)(=O)N1CCCCC1C,SSZLGCZOXBNPJG-UHFFFAOYSA-N
-rxn:4:190376:224089,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)cc2)cc1S(=O)(=O)N1CCCCCC1,GJLAFAQFDRLGDM-UHFFFAOYSA-N
-rxn:4:190392:224269,CC(C)C(=O)C1CCCN(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc2F)C1=O,MLKNLBSQBIXEPE-UHFFFAOYSA-N
-rxn:4:190425:225367,Cc1cc(S(=O)(=O)N2CCCC2)c(C(C)C)cc1-c1cnc(N2CCC(F)(F)CC2)nc1,DDDVVTXJFRXJIU-UHFFFAOYSA-N
-rxn:4:190433:226427,Cc1cc(-c2cc(N3CCC(C)CC3)cs2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,MSDPHASQUMQVER-UHFFFAOYSA-N
-rxn:4:190448:222905,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1cccnc1NC(=O)OC(C)(C)C,MANJHVYZVPWAIZ-UHFFFAOYSA-N
-rxn:4:190452:222828,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,IAKHAAZCFSOEOA-UHFFFAOYSA-N
-rxn:4:190463:223842,COc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,PGYJRUGEMGXYQP-UHFFFAOYSA-N
-rxn:4:190487:222771,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1ccc(F)c(C(=O)NC2CCCC2)c1,ITYDUUUYFZDAIN-UHFFFAOYSA-N
-rxn:4:190498:224502,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1cccc(OCC2CCCCN2C)c1,OJHRMQIUXQDYAP-UHFFFAOYSA-N
-rxn:4:190701:223579,CCOC(=O)c1cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)cc(C)c2[nH]1,IQMIXZKZYHNBEU-UHFFFAOYSA-N
-rxn:4:190955:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c1,DIVWIBNVSACJHO-SFHVURJKSA-N
-rxn:4:191005:224056,CCC[C@H]1CC[C@H](c2ccc(-c3[nH]c4cc(C(=O)OC)ccc4c3C3CCCCC3)c(F)c2)CC1,SSZKGIDYIUHLFZ-MEMLXQNLSA-N
-rxn:4:191007:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)cc1,CYVJFVSXOWQGOR-UHFFFAOYSA-N
-rxn:4:191008:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1,KNWXQEFMKVZCOJ-QGZVFWFLSA-N
-rxn:4:191008:223105,CNS(=O)(=O)c1cc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c(F)cc1C,NUAVWASTVRJZBX-UHFFFAOYSA-N
-rxn:4:191034:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCN(C(=O)OC(C)(C)C)C3)cc1,KNQHPMGDEDTEFA-UHFFFAOYSA-N
-rxn:4:191041:223227,CC(NC1CC1)c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)s1,AMYKDSOXOAIANN-UHFFFAOYSA-N
-rxn:4:191054:222585,COC1CCN(Cc2ccc(-c3ccccc3C(=O)NCCN3CCOCC3)c3ccccc23)CC1,NAAAGRMHOUGGRY-UHFFFAOYSA-N
-rxn:4:191055:226428,CC1CCCCN1c1csc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)c1,PDMFMEVBQQDNFT-UHFFFAOYSA-N
-rxn:4:191056:222782,Cc1cc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)CCO3)cnc1NC(=O)OC(C)(C)C,UNLKIYOIGKZPBA-UHFFFAOYSA-N
-rxn:4:191062:226343,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCOC2)cc1,DUIFZNJNDPOLCA-UHFFFAOYSA-N
-rxn:4:191072:227260,COCc1cc(-c2cc3c(s2)C2(CCN(C(=O)OC(C)(C)C)CC2)OC3)ccc1OC,FCLFMOZMYRNEMZ-UHFFFAOYSA-N
-rxn:4:191073:226126,COCc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)C2)OC3)ccc1C1CC1,ZLOJEWJZSMHSKL-UHFFFAOYSA-N
-rxn:4:191075:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc([C@@]23CN(Cc4ccccc4)C[C@@H]2S(=O)(=O)C3)cc1,FHCKBGHEZSGXCA-VMPREFPWSA-N
-rxn:4:191088:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1C,QFWZQAFVMRBXRX-UHFFFAOYSA-N
-rxn:4:191092:225757,COC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cc(C(C)C)n1,BFQLUCIRBDFQPZ-UHFFFAOYSA-N
-rxn:4:191095:224179,CN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4ccc5c(c4)CCO5)C3)cc2)CC1,NIQPDQUFSXDPKW-UHFFFAOYSA-N
-rxn:4:191109:224664,COc1ccc(-c2cc(F)cc(CN3CCN(C)CC3)c2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,HSJYKDQITKXLQZ-UHFFFAOYSA-N
-rxn:4:191118:228436,COc1ccc(F)c(Cl)c1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,NDWKXDDUDCBJEO-UHFFFAOYSA-N
-rxn:4:191123:226428,CC1CCCCN1c1csc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,GOLDCHGKCDOOOB-UHFFFAOYSA-N
-rxn:4:191124:225390,CC(C)Cc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,BFWTZHYEEACNAP-UHFFFAOYSA-N
-rxn:4:191124:227043,Cc1cc(OC(C)C)ccc1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,IMOPNESYMBHGRZ-UHFFFAOYSA-N
-rxn:4:191127:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,QWFAYGJRTJMMEM-UHFFFAOYSA-N
-rxn:4:191964:223480,CCC(C)c1cnc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)s1,UIGZMFZSFFNMRN-UHFFFAOYSA-N
-rxn:4:192239:223695,COc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(S(N)(=O)=O)c1F,PSOMXJRFYXAGCN-UHFFFAOYSA-N
-rxn:4:192896:223480,COc1ccc(-c2nc(C)oc2-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1,YPQZUEQCWMBBPT-UHFFFAOYSA-N
-rxn:4:193131:222604,COc1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCC1,NDLTXZQGEOCZDP-UHFFFAOYSA-N
-rxn:4:193340:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CN4CCOCC4)c(F)c3)cn2)CC1,NEHBWZOIOPCVIU-UHFFFAOYSA-N
-rxn:4:193354:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C=NC2CCS(=O)(=O)C2)cc1,CTBHQKWCSXQDMG-UHFFFAOYSA-N
-rxn:4:193401:224302,CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(-c2ccc(C3CCCCO3)nc2C(F)(F)F)c1F,IFTSEBHUMFYAFY-UHFFFAOYSA-N
-rxn:4:193458:223815,COc1ncc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1C1CCOCC1,UNMAMFJCSKEBRS-UHFFFAOYSA-N
-rxn:4:193497:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)c3ccccc23)CC1,SDSCOYCPVKBCAE-UHFFFAOYSA-N
-rxn:4:193499:222724,O=C1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,XZYNKSDZDUSSRW-UHFFFAOYSA-N
-rxn:4:193499:224378,O=C1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,GHPBHPRHZNQSBL-UHFFFAOYSA-N
-rxn:4:193500:222724,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,NGHVGGROFFMSIR-UHFFFAOYSA-N
-rxn:4:193503:222615,Cc1c(-c2cc(CC(C)C)cc(C3CCNCC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,FWXRPJDWYYVFNF-UHFFFAOYSA-N
-rxn:4:193503:224248,Cc1c(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,YGGYKEJKRUUFPK-UHFFFAOYSA-N
-rxn:4:193518:222623,CCC(C)c1cc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3C)cc2)cc(C2CCNCC2)n1,RAYPHOGIDDOSSG-UHFFFAOYSA-N
-rxn:4:193518:222740,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C(C)C)nc(C3CCCNC3)c2)cc1,BDXNXZJCEWEFPW-UHFFFAOYSA-N
-rxn:4:193518:224846,CCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N=C4C=CC(=O)C=C4C)cc3)cc2)CC1,PTRQPVILPUEGLB-UHFFFAOYSA-N
-rxn:4:193567:223474,Cc1cccc(C(=O)N2CCOCC2)c1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1,YJMRKBVLVLXWQL-UHFFFAOYSA-N
-rxn:4:193627:224810,O=S1(=O)CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCC3)c(C(F)(F)F)c2)CC1,NWWDZASKSSQXLM-UHFFFAOYSA-N
-rxn:4:193697:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4C=CN(S(C)(=O)=O)CC4)cc3)cc2)CC1,VSTDABWUKWENLA-UHFFFAOYSA-N
-rxn:4:193816:222538,CC1CCN(Cc2ccc(F)cc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)CC1,UAOIXBIQCJRDEE-UHFFFAOYSA-N
-rxn:4:193955:224665,Cc1cc(-c2ccc(F)cc2CN2CCN(C)CC2)cc(C2(N3CCC(=O)CC3)CC2)c1,SUKJVTCHXCJGFU-UHFFFAOYSA-N
-rxn:4:193961:224810,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,SLWMWDFLNDPLPL-UHFFFAOYSA-N
-rxn:4:193962:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C,PBRGXCZHBLCPDG-UHFFFAOYSA-N
-rxn:4:193963:224810,Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,FJYLRCUESQPUBN-UHFFFAOYSA-N
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-rxn:4:198013:225212,CC(=O)C1=C2CCCN2c2cc(-c3cc(F)cc(N4CCN(C)CC4)c3)ccc2S1(=O)=O,WAOVDJFQZWXTPT-UHFFFAOYSA-N
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-rxn:4:202178:223828,CCN1CCN(c2cc(-c3ccccc3C(=O)N3CCC(Oc4cccc(C)n4)CC3)cc(C(F)(F)F)c2)CC1,CPWJZGQPQFYRSH-UHFFFAOYSA-N
-rxn:4:202196:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3cnccc3OC3CCN(CC4CCS(=O)(=O)CC4)C3)cc2)cc1,KWJIKXJZUSCPHP-UHFFFAOYSA-N
-rxn:4:202224:223075,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)nc1,PJRHHDJKOOOBMC-UHFFFAOYSA-N
-rxn:4:202226:224431,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2c(C)cccc2CN(C(C)C)C(C)C)n1,LAGNLTQCHADTFM-UHFFFAOYSA-N
-rxn:4:202229:226299,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCC2CC2)cc1Cl,UYQZYOCOAICCLF-UHFFFAOYSA-N
-rxn:4:202268:223812,O=C(C1CN(Cc2ccccc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CCO1)N1CCCCC1,RUQQNMSGUUHFNY-UHFFFAOYSA-N
-rxn:4:202284:225053,COc1ccc(-c2ccc(N3CCCCC3C)cc2F)cc1CN1CCC(N2CCCC2)CC1,RTAMGYUACWIRLY-UHFFFAOYSA-N
-rxn:4:202284:225218,COc1ccc(-c2cnc(N3CCCC(C)C3)c(Cl)c2)cc1CN1CCC(N2CCCC2)CC1,QAPVTLGBOPKSDQ-UHFFFAOYSA-N
-rxn:4:202284:225656,COc1ccc(-c2cncc(N3CCCCC3C)c2)cc1CN1CCC(N2CCCC2)CC1,YEIYAIIFZXWNIF-UHFFFAOYSA-N
-rxn:4:202284:226183,COc1ccc(-c2cnccc2C2CCCCC2)cc1CN1CCC(N2CCCC2)CC1,DRKQEVZFDVTFRG-UHFFFAOYSA-N
-rxn:4:202291:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCOCC3)c2)c1,ROZCYIDQELKFSQ-UHFFFAOYSA-N
-rxn:4:202309:227222,CCN(CC)c1ccc(-c2ccc(CN(C)C3CCOCC3)c(N3CCOCC3)c2)cn1,QZVWTYJBAOAHLL-UHFFFAOYSA-N
-rxn:4:202328:223426,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(/C=N/O)c3)CC2)CC1,CGFKZOMIJUZUGQ-XIEYBQDHSA-N
-rxn:4:202337:223168,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccnc4N4CCNCC4)o2)CC3)cc1,NLKQBXDTNIPCPH-UHFFFAOYSA-N
-rxn:4:202467:222545,COc1cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc2c1cnn2C(=O)OC(C)(C)C,QURGXQAYZZFAQH-UHFFFAOYSA-N
-rxn:4:202518:223035,CC(C)[C@H]1c2nc(-c3cccnc3NC(=O)C(C)(C)C)sc2CN1C(=O)OC(C)(C)C,RODCFSDKGUAHMK-KRWDZBQOSA-N
-rxn:4:202534:222725,CCNS(=O)(=O)c1ccc(-c2ccc(N3C(=NC(=O)COC)SC4CS(=O)(=O)CC43)c(F)c2)c(C(F)(F)F)c1,PRVIDGBQYMJIGM-UHFFFAOYSA-N
-rxn:4:202564:228107,CCC(C)c1ncncc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O,GJNOSFLSOBIXLV-UHFFFAOYSA-N
-rxn:4:202593:222751,Cc1ccc(-c2ccc3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3c2)cc1NC(=O)OC(C)(C)C,POKFDXTYSXBYGW-UHFFFAOYSA-N
-rxn:4:202597:228311,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnc(CCC)nc3Cl)ccc21,GHNHSOBSADXABR-UHFFFAOYSA-N
-rxn:4:202600:227287,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccc(C(C)C)nc2OC)c1,AORJCMBIQOGVND-UHFFFAOYSA-N
-rxn:4:202601:226290,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(-c2cccc(C(=O)OC(C)C)c2)c1,DBRZEOVGYCMUBM-UHFFFAOYSA-N
-rxn:4:202602:223949,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4cnc(N(C)C)nc4OCc4ccccc4)cc3)N2C1=O,WEQLWLDIMWAGPY-UHFFFAOYSA-N
-rxn:4:202657:222915,CCOC(=O)c1cnc2c(-c3ccc(C(=O)NC4=NCCS4)cc3)cccc2c1N1CCC(C)CC1,WPQYXZFUFMGHRY-UHFFFAOYSA-N
-rxn:4:202675:224835,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c2cccnc21,BEZFIGFBCFQSLJ-UHFFFAOYSA-N
-rxn:4:202678:223883,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cnc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc21,HRDFZXBAFNSJQI-UHFFFAOYSA-N
-rxn:4:202678:223886,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cnc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc21,YOKFNMPCLMBYFH-UHFFFAOYSA-N
-rxn:4:202751:224975,CCN1CCN(c2ccc(-c3ccc(N4C(=O)C5ON(c6ccccc6)C(c6ccc(OC)cc6)C5C4=O)cc3)cc2)CC1,VSJLMTPFJOTGBZ-UHFFFAOYSA-N
-rxn:4:202807:222540,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1,SASNYMRHGSYMMS-UHFFFAOYSA-N
-rxn:4:202818:222782,Cc1ccc(C2Oc3ccc(-c4cnc(NC(=O)OC(C)(C)C)c(C)c4)cc3C3CC(c4ccc(OC(C)C)cc4)=NN32)cc1,WPDUVMLYWBPHPS-UHFFFAOYSA-N
-rxn:4:203564:222465,COC(=O)c1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,LVWHPEMKSJPAQZ-UHFFFAOYSA-N
-rxn:4:203628:223712,COc1ccc(-c2cnn(C)c2COC2CCCCO2)cc1C12CC3CC(CC(C3)C1)C2,BOBKXQBGBKGMBK-UHFFFAOYSA-N
-rxn:4:203630:223838,CCCc1nc(N2CCOCC2)sc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,UKWDDPKTMBFUPW-UHFFFAOYSA-N
-rxn:4:203639:224398,Cc1cc(F)c(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1S(=O)(=O)N1CCCC1,IFGCEOUEUJTBMP-UHFFFAOYSA-N
-rxn:4:203642:222694,COC(=O)c1cc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cnc1N1CCOCC1,YICHXGIPRYRUNA-UHFFFAOYSA-N
-rxn:4:203651:222612,O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,UNFKXCAJRHPNJC-UHFFFAOYSA-N
-rxn:4:203708:225867,O=C(c1ccccc1-c1cnc(Cl)c(N2CCCCC2)c1)N1CC(N2C(=O)COC2=O)C1,MXHWAOPQQXVPTM-UHFFFAOYSA-N
-rxn:4:203708:225947,CN1CCN(c2ncc(-c3ccccc3C(=O)N3CC(N4C(=O)COC4=O)C3)cn2)CC1,LLDQCWUECUVERC-UHFFFAOYSA-N
-rxn:4:203804:222723,CC(=O)N1CCCC(Cc2cncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)C1,GUEBWZSXIOHXJS-UHFFFAOYSA-N
-rxn:4:203827:225212,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCN(C)CC4)c3)cc2)CC1,RYOHJLBFRMBDTB-UHFFFAOYSA-N
-rxn:4:203855:222447,COc1ccc2c(c1-c1ccc(CN(C)C)c(N3CCCC3)c1)N=C(NC(=O)OC(C)(C)C)C2,FXDUAOPYXYRKQD-UHFFFAOYSA-N
-rxn:4:203885:222694,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)c2)CC1,GGLKVUZAEYCKQW-UHFFFAOYSA-N
-rxn:4:203897:222514,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(OC)c(S(=O)(=O)NC4CCCCC4)c3)c2)CC1,HOMGCBWSGSZQRZ-UHFFFAOYSA-N
-rxn:4:203903:225312,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCN(C)CC4)nc3)cc2F)CC1,ABTXMSKHELOEMF-UHFFFAOYSA-N
-rxn:4:203972:226429,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC(C)C4)s3)c(C)c2)CC1,HSDHEHPSJJJGOJ-UHFFFAOYSA-N
-rxn:4:204011:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(N(C)C)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,UKVVYPHBBGEQGC-UHFFFAOYSA-N
-rxn:4:204011:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(N(C)C)CC2)cc1,ONKXLCRHYYHAPO-UHFFFAOYSA-N
-rxn:4:204018:222604,COc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)cc1S(=O)(=O)NC1CCCC1,MYLBPJJEGOZJKN-UHFFFAOYSA-N
-rxn:4:204025:225294,CCN1CCN(c2ncc(-c3ccc(CN4CCN(C)CC4)c(S(C)(=O)=O)c3)cn2)CC1,JWPRHWXGMVSXHH-UHFFFAOYSA-N
-rxn:4:204028:224744,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2cc(Cl)c(C(=O)OC(C)(C)C)cc2F)c1,VWAIUQXZOCBQEE-INIZCTEOSA-N
-rxn:4:204074:226245,CCCCOc1ccc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(C(C)=O)CC2)cc1F,QIXLYSGOBCKWLU-UHFFFAOYSA-N
-rxn:4:204074:226659,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cnc(N3CCCC3)c(Cl)c2)CC1,MAZJAFYPAJOQIM-UHFFFAOYSA-N
-rxn:4:204075:226659,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(N4CCCC4)c(Cl)c3)cc2C)CC1,BXUXEDJIPPBVJK-UHFFFAOYSA-N
-rxn:4:204109:223868,COCc1cc(OCc2ccccc2)ccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,WPWXZRFDKBSATK-UHFFFAOYSA-N
-rxn:4:204118:225218,CC1CCCN(c2ncc(-c3ccccc3C(=O)N3CCCN(C4CCSC4)CC3)cc2Cl)C1,AVODYIIMDBEVAO-UHFFFAOYSA-N
-rxn:4:204135:223007,O=S(=O)(c1ccccc1-c1cc(F)cc(C2CCNCC2)c1)N1CCCN(C2CCSC2)CC1,IXGFENLWFDAOIZ-UHFFFAOYSA-N
-rxn:4:204150:227044,O=C(c1ccc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1)C1CC1,PKWIEOMVFAPIFS-UHFFFAOYSA-N
-rxn:4:204167:226506,CC1CCCN(Cc2ccc(-c3cc(OCC4CC4)ncc3F)cc2N2CCOCC2)C1,BXPIBCONFSEDEK-UHFFFAOYSA-N
-rxn:4:204170:226307,COCc1cc(C)cc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)c1OC,CWYUGENZAYNXKT-UHFFFAOYSA-N
-rxn:4:204174:225633,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(N5CCCCCC5)nc4)cc3C)CC2)cc1Cl,KYJMFLJSHDPFOM-UHFFFAOYSA-N
-rxn:4:204176:226243,CCOC(=O)Cc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc1,DCAFKKUBHZYLNN-UHFFFAOYSA-N
-rxn:4:204179:224648,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4Cl)cc3C)CC2)cc1C,BAQKMUNBFSNLCV-UHFFFAOYSA-N
-rxn:4:204508:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccnc3c2CCN3C(=O)OC(C)(C)C)cc1,XRNIHBSKYCRDKC-INIZCTEOSA-N
-rxn:4:204509:222758,Cc1cc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,XKOHRSUETJLMQQ-UHFFFAOYSA-N
-rxn:4:204513:222647,Cc1cc(-c2cnc3c(c2)CCN3C(=O)OC(C)(C)C)c(C)cc1NC(=O)OC(C)(C)C,IUNCMIUMTKFHTP-UHFFFAOYSA-N
-rxn:4:204600:222584,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)nc2C1,ZLSCMCGNVJXLAX-UHFFFAOYSA-N
-rxn:4:204644:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1,NZKRBSOYCSULET-UHFFFAOYSA-N
-rxn:4:204644:224305,CC(C)(C)OC(=O)N1CCOc2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c3F)cc2C1,IPZZYNLIQNKQET-UHFFFAOYSA-N
-rxn:4:204648:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CC(N5CCc6sccc6C5)C4)o3)cc2)CC1,XAOLVBGPINNWQD-UHFFFAOYSA-N
-rxn:4:204683:224566,COC(=O)C1(c2ccc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)cc2)CCCC1,MGXQBTBAKIRRHN-UHFFFAOYSA-N
-rxn:4:204696:224668,CCN1CCN(c2cc(F)cc(-c3ccccc3C3C(C(=O)OC)=C(C)N=C4SCCC(=O)N43)c2)CC1,JIFMKKJCXAKYTA-UHFFFAOYSA-N
-rxn:4:204700:225013,O=C(c1ccc(-c2cc(-c3cncs3)cc(C3CC3)c2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,MHOWMNRMODRMKZ-UHFFFAOYSA-N
-rxn:4:204756:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1)N1CC(N2CC3CCCC3C2)C1,GJSJLKMTLFZVIK-UHFFFAOYSA-N
-rxn:4:204836:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)c2)cc1,OVPOHUYTJYQJCX-UHFFFAOYSA-N
-rxn:4:204838:224395,Cc1ccccc1N1OC2C(=O)N(c3ccc(-c4cc(N5CCOCC5)cc(C(F)(F)F)c4)cc3)C(=O)C2C1c1ccco1,CEQAXHXBUVVOAC-UHFFFAOYSA-N
-rxn:4:204888:223911,CCOC(=O)N1CCc2c(c3cc(-c4ccc(C5(C(=O)OCC)CCOCC5)cc4)ccc3n2C)C1,OCNIMNGFHYTTTJ-UHFFFAOYSA-N
-rxn:4:204897:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c3c([nH]c2c1)CN(C(=O)OC(C)(C)C)CC3,OPHLCPUPQZIBBQ-UHFFFAOYSA-N
-rxn:4:204944:224022,CC(C)c1ccc(C2Oc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3C3CC(c4ccco4)=NN32)cc1,ROXILOGQLYPKGV-UHFFFAOYSA-N
-rxn:4:204945:225371,COC(=O)c1cc(-c2ccc(C(=O)N3C(=S)N(c4cccc(C)c4)C4(C)CC3c3ccccc3O4)o2)cnc1C(F)(F)F,BRAPLOSEJBZGCA-UHFFFAOYSA-N
-rxn:4:204954:224703,Cc1ccc(N2C(=O)N(C(=O)c3ccccc3-c3cc(C4CCCC4)cc(C(F)(F)F)c3)C3CC2(C)Oc2ccccc23)cc1,MCCVIQGVNRCBCG-UHFFFAOYSA-N
-rxn:4:204960:225262,CCOc1cc2c3c(c1)-c1c(sn(-c4ccc(-c5ccc(C(=O)N(C)OC)cc5OC)cc4)c1=S)C(C)(C)N3C(=O)C2=O,JWHLDWDBKFMKPC-UHFFFAOYSA-N
-rxn:4:205337:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(OC4COC4)cn3)cc2)CC1,MLGLQFCKQHHVIB-UHFFFAOYSA-N
-rxn:4:205665:223520,CC(c1ccc(-c2ccc(C(=O)N3CCC3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,KGHVCXRRBDICDT-UHFFFAOYSA-N
-rxn:4:206158:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3c[nH]c(C(=O)N4CCSCC4)c3)cn2)CC1,LOJBSBSBCNZYFO-UHFFFAOYSA-N
-rxn:4:206453:222614,O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F,YPKQRUFSJLFNPQ-UHFFFAOYSA-N
-rxn:4:206464:224498,CCN1CCN(Cc2ccccc2-c2cc(N3CCC(F)(F)C3)c([N+](=O)[O-])cc2F)CC1,JNTHIQJUIAEQFQ-UHFFFAOYSA-N
-rxn:4:206502:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(F)c(CN3CCOCC3)c2)CC1,RYPPRCQPPOXENU-UHFFFAOYSA-N
-rxn:4:206524:222604,COc1ccc(-c2cncc(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)NC1CCCC1,RVCINBWSHMNQBW-UHFFFAOYSA-N
-rxn:4:206634:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(N2CCC(F)(F)CC2)c(C#N)c1,OBQJSVRIBRWHAP-UHFFFAOYSA-N
-rxn:4:206634:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(N4CCC(F)(F)CC4)c(C#N)c3)c2)C1,VTAVNJLOIWZXGY-UHFFFAOYSA-N
-rxn:4:206647:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC(F)(F)C4)c(C#N)c3)cc2)CC1,NBDFIUDSBBAEDD-UHFFFAOYSA-N
-rxn:4:206697:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(C4CCCN(S(C)(=O)=O)C4)s3)c(F)cn2)CC1,UQCYCUBMRQVETO-UHFFFAOYSA-N
-rxn:4:206739:224312,CN1CCN(C(=O)c2cc(-c3cnccc3N3CCCC(C(F)(F)F)C3)ccc2F)CC1,BDXRBQSPSNEJMQ-UHFFFAOYSA-N
-rxn:4:206784:223502,CN(c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cn1)C1CCOCC1,ZTXDQSAIHUZNHW-UHFFFAOYSA-N
-rxn:4:206863:224375,CN1CCN(C(=O)c2cc(Cl)cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)c2)CC1,JMKWCOKZWZLEFG-UHFFFAOYSA-N
-rxn:4:206911:223841,CCC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cn2)CC1,HEABDXOBILQCCP-UHFFFAOYSA-N
-rxn:4:206911:223845,CCC1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,SUONFQLDMYWIKC-UHFFFAOYSA-N
-rxn:4:206937:222393,Cc1cc([N+](=O)[O-])cc(-c2cccc(C(=O)N[C@H]3CC[C@H](O)CC3)c2)c1N1CCCCC1,BMCACHBMQYJTJE-AQYVVDRMSA-N
-rxn:4:206944:224316,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)nc2)CC1,AMOFTULHIBLJFD-UHFFFAOYSA-N
-rxn:4:206948:224318,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)n2)CC1,KQKMRQGRQKODSM-UHFFFAOYSA-N
-rxn:4:206959:222724,CS(=O)(=O)N1CCN(c2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,RZCAPZGPIKAFCG-UHFFFAOYSA-N
-rxn:4:206959:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)cnc21,MEHSIPUMQPVQSC-UHFFFAOYSA-N
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-rxn:4:207059:224704,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,WZTPPOPFLBLLEN-UHFFFAOYSA-N
-rxn:4:207061:222804,CN1CCCN(S(=O)(=O)c2cccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)c2)CC1,KWQDBZAUJGNKKV-UHFFFAOYSA-N
-rxn:4:207062:224704,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,DJJGDTAWZLUWKB-UHFFFAOYSA-N
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-rxn:4:207085:225294,CCN1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)cn2)CC1,WMTGZXPAKWPYAQ-UHFFFAOYSA-N
-rxn:4:207177:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc4n3CC(C(=O)OC)=CO4)ccc2C)CC1,YLHQXSQTKNYINS-UHFFFAOYSA-N
-rxn:4:207575:223712,CCn1ncc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1C12CCCCC1O2,TTZBWGXFMMMWSA-UHFFFAOYSA-N
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-rxn:4:207779:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)CC1,IZQMZZOZYLGGHH-UHFFFAOYSA-N
-rxn:4:207850:222604,COc1ccc(-c2ccc(N3C(=O)N(c4ccc(C)cc4)C4CS(=O)(=O)CC43)cc2)cc1S(=O)(=O)NC1CCCC1,KUPWFLLGZBBAIG-UHFFFAOYSA-N
-rxn:4:207854:225312,CN1CCCN(c2ncc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cn2)CC1,KCJDNWQPBJDEFW-UHFFFAOYSA-N
-rxn:4:207856:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,RQGQYNVMWIOIAX-UHFFFAOYSA-N
-rxn:4:207890:225300,Cc1c(-c2ccc(OC3CCOCC3)nc2F)cnn1CC12CC3CC(CC(C3)C1)C2,FKSVNNYHKSJEJM-UHFFFAOYSA-N
-rxn:4:207965:226355,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CC5)c(OC)cc4Cl)ccc2OC32CCC(C)CC2)cc1,BHZIXNAAXCZZNB-UHFFFAOYSA-N
-rxn:4:209671:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccnc(N4CCC(=O)CC4)c3)c(F)cc2C)CC1,FVXHKZPCLPEOKV-UHFFFAOYSA-N
-rxn:4:209698:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(N4CCCCC4=O)nc3)c2)C1,ODPWIKBPWQRAGP-UHFFFAOYSA-N
-rxn:4:209764:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(N4CCC(F)CC4)nc3)cc2C)CC1,RZAKNBADVIAXQR-UHFFFAOYSA-N
-rxn:4:209774:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ncccc3N3CCC(F)(F)CC3)c2)CC1,HUENYIHHDPVTLY-UHFFFAOYSA-N
-rxn:4:209889:223841,Cc1cc(F)c(-c2cnc(N3CCC(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,XNSFGRHPGMMLQI-UHFFFAOYSA-N
-rxn:4:209891:223835,Cc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc(N2CCN(C)CC2)c1,QGAXHTGFMDCNGK-UHFFFAOYSA-N
-rxn:4:209891:223842,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc(N2CCN(C)CC2)c1,QJQYCOLFCZJLGE-UHFFFAOYSA-N
-rxn:4:210184:223480,COc1nccn2c(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)ccc12,NYBTVAYZMCJNGG-UHFFFAOYSA-N
-rxn:4:210794:223841,Cc1cc(F)c(-c2ccc(C3CN4CCSC4=N3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,GLLGYPHUYGFCOL-UHFFFAOYSA-N
-rxn:4:210951:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(F)ccc4c3cnn4C3CCCCO3)cc2[N+](=O)[O-])CC1,YYGGYLUUADJXDV-UHFFFAOYSA-N
-rxn:4:212511:225123,O=C(CCC(F)(F)F)N1CC(Cn2cc(-c3ccncc3OCC3CCCCO3)cn2)C1,KSAPIUDSEPSRRZ-UHFFFAOYSA-N
-rxn:4:212532:224080,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3ccc(OCCCN4CCCCC4)cc3)cn2)C1,LNOCLWOVXSSUIK-UHFFFAOYSA-N
-rxn:4:212547:222651,CCOCCN1CCC(Oc2ncc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cn2)CC1,HQAUOLYNMDFNEM-UHFFFAOYSA-N
-rxn:4:212554:222684,O=C(COc1ccc(Cl)cc1)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,RDJSNKCPGJZSMC-UHFFFAOYSA-N
-rxn:4:212642:223076,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)o1)N1CCC(COc2ccc(C3CC3)nn2)CC1,VMWBTOXPNRZPQP-UHFFFAOYSA-N
-rxn:4:212649:224251,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cn2)C1,VVOGWGPPVSMMSI-UHFFFAOYSA-N
-rxn:4:212658:225300,COC(=O)c1ncc(-c2ccc(OC3CCOCC3)nc2F)cc1N1CCN(C(=O)OC(C)(C)C)CC1,ZNHIFWWTBGOGLC-UHFFFAOYSA-N
-rxn:4:212680:225749,COc1ccc(C(=O)N(C)C)cc1-c1cc(F)ccc1CC(=O)N1CCC(COc2ccc(C)nn2)CC1,GFHSCGISVACYEL-UHFFFAOYSA-N
-rxn:4:212685:223588,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)c([N+](=O)[O-])c1,SFEMCLZMNLFFOC-UHFFFAOYSA-N
-rxn:4:212696:224968,Cc1ccc(OCC2CCCO2)c(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)c1,ZDHXGQDTBQYWTB-UHFFFAOYSA-N
-rxn:4:212721:225976,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCOCC4)c3F)n2)CC1,SYCHCNXYXINAEP-UHFFFAOYSA-N
-rxn:4:212743:224020,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)CC2)CC1,MTRBDYKUMNEOMQ-UHFFFAOYSA-N
-rxn:4:212744:223084,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(N4CCC(O)CC4)nc3)c2)CC1,VFBVFMRWKFXFMR-UHFFFAOYSA-N
-rxn:4:212831:223294,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3csc(N4CCNCC4)n3)cc2C1c1ccccc1,VCTYAARQNBKGMG-UHFFFAOYSA-N
-rxn:4:212849:225672,O=C(c1ccccc1-c1cc(F)nc(C2CCCCC2)c1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,YKTPRWKHMWTWSW-UHFFFAOYSA-N
-rxn:4:212849:226112,Cc1cc(OCC2CC2)ccc1-c1ccccc1C(=O)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,QSWKZXAUTJRHGS-UHFFFAOYSA-N
-rxn:4:212887:224247,COC(=O)CN1CCC(Cn2cc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cn2)C1,KJWCYEQSBKCBIQ-UHFFFAOYSA-N
-rxn:4:212917:222928,COC(=O)CN1CCC(Cn2cc(-c3cnc(N4CCC(O)CC4)nc3C)cn2)CC1,KAOOSZNBVPPDMT-UHFFFAOYSA-N
-rxn:4:212970:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CN(C(=O)OC(C)(C)C)C3)nc2C)cc1,ZYUWNJXUOSRAGC-UHFFFAOYSA-N
-rxn:4:212972:223753,Cc1ccc(-c2ccc(-c3ccc(SCC(=O)N4CCCC4)nn3)cc2)cc1OCCCN1CCN(C)CC1,NCPDLVIUYXAECD-UHFFFAOYSA-N
-rxn:4:212973:224678,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2ccc(F)c(C(=O)N3CCCCC3)c2)C1,TTWYMHODGQAOCL-UHFFFAOYSA-N
-rxn:4:212991:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,LIXDAMFAKRUXSX-YHBQERECSA-N
-rxn:4:212992:222816,COc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1S(=O)(=O)NC(C)C,ARQXZWKVHCYXDH-UHFFFAOYSA-N
-rxn:4:213004:222723,COc1ncccc1C(=O)N1CCC(Oc2ccncc2-c2cccc(NS(=O)(=O)N3CCOCC3)c2)C1,IYYZYCFGAXSXFN-UHFFFAOYSA-N
-rxn:4:213037:224252,CC(C)CCN1CCC(Oc2ncc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cn2)CC1,BYXSZRRRJJUNIU-UHFFFAOYSA-N
-rxn:4:213040:227610,Cc1nc(-c2ccn(C3CCCCO3)n2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,UTESUPGPVSVCGX-UHFFFAOYSA-N
-rxn:4:213064:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2cncc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)c2)c1F,XUZDERFRVRONAJ-UHFFFAOYSA-N
-rxn:4:213066:224759,O=C(c1cc(F)cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)c1)N1CCOCC1,KUJFXEKDAHBUPT-UHFFFAOYSA-N
-rxn:4:213076:222545,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cn2)cc1,OZJGJIHISYXLAQ-UHFFFAOYSA-N
-rxn:4:213080:223167,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccnc(N4CCNCC4)c3)c2)CC1,OJFDLNLSGNQQBJ-UHFFFAOYSA-N
-rxn:4:213097:225975,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,BASNXWHVHZVHJA-UHFFFAOYSA-N
-rxn:4:213124:223150,CC(C)CN(c1ncc(-c2ccnc(NCCN(C)C)c2)cc1[N+](=O)[O-])C1CCCCC1,KGUTUBZAZDLSIU-UHFFFAOYSA-N
-rxn:4:213127:225877,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(Cl)cc3N3CCOCC3)ccn2)CC1,CCTJMAQUUFNYSB-UHFFFAOYSA-N
-rxn:4:213136:226267,COCCOc1ccc(C)cc1-c1cnc(OCC2CCCN(CC3CCCO3)C2)nc1,YMWGBRSHRPUUNT-UHFFFAOYSA-N
-rxn:4:213138:225977,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(Cl)cnc3N3CCOCC3)cnc2F)CC1,VPSRBFJXTKEWMI-UHFFFAOYSA-N
-rxn:4:213150:226645,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)c3)cn2)CC1,ZSYKBBWYFIDPJF-UHFFFAOYSA-N
-rxn:4:213164:222546,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,GOWGGSFRVZQVGP-UHFFFAOYSA-N
-rxn:4:213195:223027,CCCNC(=O)c1cc(F)cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)c1,DJEZTEIGPCJVIH-UHFFFAOYSA-N
-rxn:4:213202:224817,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccccc3S(=O)(=O)N3CCOCC3)CC2)nn1,HCLSSLFZYSNICY-UHFFFAOYSA-N
-rxn:4:213217:223054,CCN1CCN(c2ncc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2C(=O)OC(C)(C)C)CC1,GFLCTLBRKAJSBB-UHFFFAOYSA-N
-rxn:4:213217:223294,CCN1CCN(c2ncc(-c3csc(N4CCNCC4)n3)cc2C(=O)OC(C)(C)C)CC1,SSDSNZWXJUPPKV-UHFFFAOYSA-N
-rxn:4:213231:224285,CN(c1ccccn1)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCN3CCOCC3)cc2F)CC1,RTJVMOAOMBZGQU-UHFFFAOYSA-N
-rxn:4:213248:222957,COc1ccc(-c2cc(C)cc(C3CCCNC3)c2)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,XNLJNJPCJFWNIA-UHFFFAOYSA-N
-rxn:4:213252:223482,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(C(=O)N2CCC(N(C)c3ccccn3)CC2)c1,JGXUYAKXHCMFIH-UHFFFAOYSA-N
-rxn:4:213265:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,AXKAZSOQAGWNFO-UHFFFAOYSA-N
-rxn:4:213268:225827,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,JMAJVVXGVPZWAP-CPJSRVTESA-N
-rxn:4:213275:224325,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)no3)CC2)cc1,AINKNBSJYRAGIH-UHFFFAOYSA-N
-rxn:4:213278:222514,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(OC)c(S(=O)(=O)NC6CCCCC6)c5)cc4)C3)n2)c1,FJXILZJEUIBQNJ-UHFFFAOYSA-N
-rxn:4:213281:226215,CO/N=C1\CCc2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc21,IVHOODKMWRVFER-XLVZBRSZSA-N
-rxn:4:213289:223609,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc3c(c4ccccc24)-c2ccccc2C3(C)C)CC1,ZOEXOTQACNPVBE-UHFFFAOYSA-N
-rxn:4:213291:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(CC(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)cc2F)C1,JKBGJNJLCXOEBJ-UHFFFAOYSA-N
-rxn:4:213314:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)c(OC(C)C(=O)N(C)OC)nn3C)c1,DOWZCWBZEISRGT-UHFFFAOYSA-N
-rxn:4:213338:222465,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1F,QWXZVJCJDPGMTO-UHFFFAOYSA-N
-rxn:4:213428:223774,COc1cccc2c1cc(-c1ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c1)n2C(=O)OC(C)(C)C,IVKMRACUDSQSLZ-LJAQVGFWSA-N
-rxn:4:213449:222746,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4ccc(CNC(=O)OC(C)(C)C)cc4)cc3c2-c2ccccc2)=NN1C(C)=O,UWHZTFLUZALGKC-UHFFFAOYSA-N
-rxn:4:213452:223671,CC(C)OCCCn1cnc2c([nH]c3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)c1=O,FSWPSWZMXXWKBP-UHFFFAOYSA-N
-rxn:4:213480:223047,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)NC5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DZMYAEFZNJWJAO-VAALAVNJSA-N
-rxn:4:213480:225162,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QGEWWDUJJMZEKQ-SIGULORKSA-N
-rxn:4:213480:225926,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CHORSSQMXXUIDT-MDCBZVBUSA-N
-rxn:4:213481:225873,COC12CC(COC(=O)c3cncc(-c4cccc(N5CCOCC5=O)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,QGQUAULHWHIQRW-UHFFFAOYSA-N
-rxn:4:213653:226172,Cc1ccc(N2CCCC2)cc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,TYZMTRAOBNERKW-UHFFFAOYSA-N
-rxn:4:213653:226175,Cc1cc(N2CCCC2)ccc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,XPXPRHJYCBCHER-UHFFFAOYSA-N
-rxn:4:213671:222781,Cc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)cn2)cn1,NAFVQJAUCSEGDF-UHFFFAOYSA-N
-rxn:4:213684:223951,CN1CCN(CCOc2ccc(-c3cnn(CC4CN(CC5CCCO5)C4)c3)cc2F)CC1,OYARBOFXIXNXMI-UHFFFAOYSA-N
-rxn:4:213684:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnn(CC2CN(CC3CCCO3)C2)c1,HOVWEVWACUIYSS-UHFFFAOYSA-N
-rxn:4:213684:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnn(CC2CN(CC3CCCO3)C2)c1,LWCLMHSIWSUBPS-UHFFFAOYSA-N
-rxn:4:213710:222723,O=C(c1ccc(F)cc1Cl)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,NMBUBPYVODWXIL-UHFFFAOYSA-N
-rxn:4:213755:225095,CCOC(=O)c1ccc(OCC)c(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,JUYHELBJCIJKNU-UHFFFAOYSA-N
-rxn:4:213757:225080,COC(=O)C1CCc2cc(-c3cccc(CC4CCN(S(=O)(=O)N(C)C)C4)n3)ccc2O1,PUADCHBZKJXMTD-UHFFFAOYSA-N
-rxn:4:213759:222695,Cc1ccc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)cc1S(=O)(=O)NC1CCCC1,QGWOILTYEDDJLU-UHFFFAOYSA-N
-rxn:4:213765:222584,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)C1,XFFXYSGFOZPOBN-UHFFFAOYSA-N
-rxn:4:213781:223812,Cc1csc(CN2CCN(C(=O)c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)o3)CC2)n1,BXLXGAYMBJBCFL-UHFFFAOYSA-N
-rxn:4:213781:223866,Cc1csc(CN2CCN(C(=O)c3ccc(-c4ccccc4CN4C(C)(C)CCCC4(C)C)o3)CC2)n1,SCMZSPRFRJKFLS-UHFFFAOYSA-N
-rxn:4:213798:225882,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnc(Cl)c(C4CCOCC4)c3)cn2)C1,CZCIOAUOVGMECP-UHFFFAOYSA-N
-rxn:4:213799:222684,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ncn2)C1,SBUHINFMAKJEQQ-UHFFFAOYSA-N
-rxn:4:213802:222514,COc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)cc1S(=O)(=O)NC1CCCCC1,WDRVNTBNZONDLD-UHFFFAOYSA-N
-rxn:4:213822:222584,Cc1nccc(OC2CCN(C(=O)c3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)ccc3Cl)C2)n1,XNGHDFYFLPFKOY-UHFFFAOYSA-N
-rxn:4:213876:222541,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)nc2)CC1,QOBSSWKKYMUMAV-UHFFFAOYSA-N
-rxn:4:213877:226330,CC(c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)s1)N1CCCC1,LBHONRIIEXRIRU-UHFFFAOYSA-N
-rxn:4:213892:225980,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(N3CCOCC3)ncc2F)CC1,VVQPDARWLJFRME-UHFFFAOYSA-N
-rxn:4:213927:224772,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)o3)CC2)nc(C)n1,ZGMXYNMBXVHWRK-UHFFFAOYSA-N
-rxn:4:213930:224759,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)cc1F,SXFVRONBGGUWPP-UHFFFAOYSA-N
-rxn:4:213969:223631,O=C(c1ccc(-c2ccc3c(Cl)c(OCc4ccccc4)ccc3c2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,IDHQPSZIUDBUMO-UHFFFAOYSA-N
-rxn:4:213969:228510,CC(C)c1ccccc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)o1,DXXONKJZTGVANX-UHFFFAOYSA-N
-rxn:4:213971:225520,CCCCOC(=O)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,UBCFHBZMJKQCHP-UHFFFAOYSA-N
-rxn:4:213972:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,KQPZTUJZSREVEI-UHFFFAOYSA-N
-rxn:4:213972:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,ZLTCUDYGNYLLOA-UHFFFAOYSA-N
-rxn:4:213972:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,WNZSBKVJLDGFCH-UHFFFAOYSA-N
-rxn:4:213973:222423,COc1c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZQZAXBWQNIRXOI-UHFFFAOYSA-N
-rxn:4:213985:226661,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(N3CCN(C)CC3)cs2)c1,VKXNPVZDKBIQON-UHFFFAOYSA-N
-rxn:4:213991:225852,Clc1nc(C2CCCCC2)ncc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,NXETTXZFIRQOAC-UHFFFAOYSA-N
-rxn:4:213992:226844,O=C(c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)ccn1)C(F)(F)F,NIPKAZSVVMXZAL-UHFFFAOYSA-N
-rxn:4:213996:226873,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cccc(Cl)c1OC(F)(F)F,ZLUHRQCPJBLYMJ-UHFFFAOYSA-N
-rxn:4:214002:222826,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,ZICWYUWLYIMUPT-UHFFFAOYSA-N
-rxn:4:214027:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,BJBGBRKTZRDRIO-UHFFFAOYSA-N
-rxn:4:214033:225756,COC(=O)c1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(C(C)C)cn1,BNZPVPMMMNKDKK-DNQXCXABSA-N
-rxn:4:214033:227046,Cc1cc(OC(C)C)cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,DRVOQQJQOBLDPX-JWQCQUIFSA-N
-rxn:4:214062:223114,CCCNC(=O)c1cccc(-c2ccc(CN3CCN(CC)CC3)c(N3CCOCC3)c2)c1,IGZQOTDOLNLOJZ-UHFFFAOYSA-N
-rxn:4:214074:223280,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCNC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,YWYIRKNJGRCEBH-UHFFFAOYSA-N
-rxn:4:214082:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccc(CN2CCN(C(C)C)CC2)c(N2CCOCC2)c1,WOQRWPUCUULDRM-UHFFFAOYSA-N
-rxn:4:214127:223533,CCOC(=O)c1ccn(-c2ccc3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cccn23)n1,PALJYCYFUZBKBO-UHFFFAOYSA-N
-rxn:4:214154:224834,CCOC(=O)c1cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)nc2c1cnn2C1CCCCO1,IDDUCBLYJQPAMW-UHFFFAOYSA-N
-rxn:4:214162:225449,O=C(c1cc2cc(-c3cccc(OC4CCCCC4)c3)ccc2[nH]1)N1CCN(CC(F)(F)F)CC1,QWLOGXAYHTZISG-UHFFFAOYSA-N
-rxn:4:214220:222902,COC(=O)CNC(=O)c1cccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)c1,JTONZDUXGVQCMY-UHFFFAOYSA-N
-rxn:4:214254:223873,CC1CCN(C(=O)CCc2ccccc2-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)CC1,WNQZWENBTBBCNO-UHFFFAOYSA-N
-rxn:4:214274:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc2c1cnn2C1CCN(C(=O)OC(C)(C)C)CC1,FKFDWVVPVWSGBZ-UHFFFAOYSA-N
-rxn:4:214292:224933,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2cc(-c3ccc(OCCN4CCCC4)cc3)ccc2[nH]1,AIDRKFLGFBCADL-OBTVHEKISA-N
-rxn:4:214334:224301,CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2-c2cc(O[Si](C)(C)C(C)(C)C)cc(F)c2F)CC1,UABMXPFWVXSBIG-UHFFFAOYSA-N
-rxn:4:214354:223660,Cc1ccc(N2CC(c3nc4ccccc4n3Cc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc3)CC2=O)cc1,FPNLZRKKRLRTJA-UHFFFAOYSA-N
-rxn:4:214384:222694,O=C(N1CCCC(Oc2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)C1)C12CC3CC(CC(C3)C1)C2,RRYWODZDFXFWRI-UHFFFAOYSA-N
-rxn:4:214554:223542,CCN(CC)c1ncc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)n1C,DEMSRAPRJIZBHB-UHFFFAOYSA-N
-rxn:4:214627:224326,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCCCC1,QBWXJWPYJQCGCW-UHFFFAOYSA-N
-rxn:4:214654:222524,CN1CCC(Oc2ncc([N+](=O)[O-])cc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)CC1,ARUZKHZOQWIVPQ-UHFFFAOYSA-N
-rxn:4:214655:224772,CC(C(=O)N1CCC(F)(F)CC1)n1cc(-c2ccc(C(=O)N3CCOCC3)cc2Cl)cn1,OFPNUKSJSRKCBC-UHFFFAOYSA-N
-rxn:4:214676:224325,CN1CCN(C(=O)Cc2cncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,CTOIKJKLUGHUIN-UHFFFAOYSA-N
-rxn:4:214705:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,XIKCKYQDMXCMKE-UHFFFAOYSA-N
-rxn:4:214706:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)C4)cn3)cc2)CC1,UXGKUJFLAKFHIF-UHFFFAOYSA-N
-rxn:4:214709:224663,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C)CC4)c(F)c3)cn2)CC1,CNIOIEDVRRAPGY-UHFFFAOYSA-N
-rxn:4:214709:224666,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cn2)CC1,OYPYEJTZBMAKSN-UHFFFAOYSA-N
-rxn:4:214709:224704,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cn2)CC1,IXEDVTOLEIBIRO-UHFFFAOYSA-N
-rxn:4:214709:224766,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)cn2)CC1,CKSHMINBOLIGSC-UHFFFAOYSA-N
-rxn:4:214710:224704,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)c2)CC1,AKSOEWXEGVJOAH-UHFFFAOYSA-N
-rxn:4:214711:222805,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)c(F)c(N4CCC(O)CC4)c3)cn2)CC1,ZRYRMEXNAFCJRV-UHFFFAOYSA-N
-rxn:4:214711:224378,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,RTXDPOKMGRNFHD-UHFFFAOYSA-N
-rxn:4:214711:224705,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(C)CC4)c(F)c3F)cn2)CC1,BLCWGAYHWSOEGY-UHFFFAOYSA-N
-rxn:4:214718:225180,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(C(=O)N4CCCC4)cc3Cl)c2)CC1,MCLJMSNABJQQQU-UHFFFAOYSA-N
-rxn:4:214734:225871,O=C1C=CC(=O)N1c1cccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)c1,NDSRBPUZLMLVRL-UHFFFAOYSA-N
-rxn:4:214735:225871,O=C1C=CC(=O)N1c1cccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c1,ICXRVJPXQLLQFA-UHFFFAOYSA-N
-rxn:4:214753:224672,CCN1CCN(c2ccc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)c(Cl)c2)CC1,FSTKZKWLCFASNZ-UHFFFAOYSA-N
-rxn:4:214765:223926,CN(C)C1CCN(c2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c2[N+](=O)[O-])CC1,JGBPUVXLEVHURI-UHFFFAOYSA-N
-rxn:4:214771:222845,CC(c1ccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N(C)C)CC2)cc1)N1CCNCC1,BMPFUWANKQDUDZ-UHFFFAOYSA-N
-rxn:4:214775:224705,CC1CCN(c2ccc(-c3cnc(OC4CCN(C5CCSC5)CC4)nc3)c(F)c2F)CC1,ZPRGFZHJAJTNDQ-UHFFFAOYSA-N
-rxn:4:214780:223683,Cc1nnc(C2CCN(C(=O)c3ccccc3-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)CC2)s1,JTRHLCFAOMAGGI-UHFFFAOYSA-N
-rxn:4:214805:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,BDRZGQGCRAGVDL-UHFFFAOYSA-N
-rxn:4:214819:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1C,NMJCXSPGZILNLY-UHFFFAOYSA-N
-rxn:4:214820:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)CC1,BPPRYZWNMYZRAQ-UHFFFAOYSA-N
-rxn:4:214828:222542,Cc1ccc(-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)cc1OCCCN1CCNCC1,MCCGSDHMNLFDCR-UHFFFAOYSA-N
-rxn:4:214835:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c2)CC1,IGPSXNGHNOBFLR-UHFFFAOYSA-N
-rxn:4:214835:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,ZIFISJIQUJNQRG-UHFFFAOYSA-N
-rxn:4:214835:228293,CN(C)CCn1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cn1,DHIXNZKWPGLCMS-UHFFFAOYSA-N
-rxn:4:214837:223806,COc1ccc(COc2c(F)ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c2F)cc1,FRLTZUSDPYDSCM-UHFFFAOYSA-N
-rxn:4:214838:226235,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c(C)n1,NJHYLDNCMBIVLF-UHFFFAOYSA-N
-rxn:4:214838:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,ZNJZTDLBXOMMNM-UHFFFAOYSA-N
-rxn:4:214855:223071,CCS(=O)(=O)NCc1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1,QYZMKBZBUOJBEP-UHFFFAOYSA-N
-rxn:4:214872:225093,CCCOc1c(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1OCC,SQUHYTSFGQXEJC-UHFFFAOYSA-N
-rxn:4:214880:227230,CCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,XRDUTPHUTZPIJQ-UHFFFAOYSA-N
-rxn:4:214880:227275,CCCOc1c(F)cccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,LUOGOTZSSKWGSV-UHFFFAOYSA-N
-rxn:4:214896:223978,Cc1cc(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,OFLUVFZCVQIWEV-UHFFFAOYSA-N
-rxn:4:214896:226721,COC(=O)c1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)cc(OC)n1,BYABURYGCIOBSL-UHFFFAOYSA-N
-rxn:4:215112:223997,CCC(=O)N1CCN(c2nc3ccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cc3s2)CC1,DDWQMKNADZCKML-UHFFFAOYSA-N
-rxn:4:215184:222511,O=C(NC1CCCCC1)c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)cc([N+](=O)[O-])c1,IUAUAGGPILEVBN-UHFFFAOYSA-N
-rxn:4:215214:227504,CC(C)Oc1ncc(Cl)cc1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,HADJLALNSKGSHY-UHFFFAOYSA-N
-rxn:4:215216:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2c1,RVLYXGRZOLYCTK-UHFFFAOYSA-N
-rxn:4:215510:223521,CC(c1cccc(-c2cnc(C(=O)N3CCC3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,PJZHPBZFYSOJHB-UHFFFAOYSA-N
-rxn:4:215673:223970,Cc1ccc(-c2cnc(N3CCC(F)(F)C3)c(C#N)c2)cc1S(=O)(=O)N1CCC(C)CC1,MJDKEBKMPQKTPQ-UHFFFAOYSA-N
-rxn:4:215772:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cncc(N4CCC(C#N)CC4)c3)c2)CC1,BJULBVBUOBBREM-UHFFFAOYSA-N
-rxn:4:215775:223835,Cc1cc(F)c(-c2cnc(N3CCCCC3)c(C#N)c2)cc1S(=O)(=O)N1CCC(C)CC1,ZCPPCIRHIRYMKO-UHFFFAOYSA-N
-rxn:4:215780:223970,Cc1ccc(-c2cnc(N3CCC(F)(F)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCC(C)CC1,WAZPKKPYPKQMTK-UHFFFAOYSA-N
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-rxn:4:215803:224405,O=[N+]([O-])c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cnc1N1CCC(F)(F)CC1,OBOTYYOGQYXWGK-UHFFFAOYSA-N
-rxn:4:215853:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCN(C)CC4)c3)c2)CC1,GNIWQIAABGKSMW-UHFFFAOYSA-N
-rxn:4:215854:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccnc3C(=O)N3CCN(C)CC3)c2)CC1,QVQKTHRSRMQAEX-UHFFFAOYSA-N
-rxn:4:215858:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCN(C)CC4)nc3)c2)CC1,HDWKBLICRFDLPQ-UHFFFAOYSA-N
-rxn:4:215866:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(Cl)cnc3C(=O)N3CCN(C)CC3)c2)CC1,RABMHRCIZHHIOS-UHFFFAOYSA-N
-rxn:4:215867:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(C(=O)N4CCN(C)CC4)c(Cl)c3)c2)CC1,LCQSWWXKXQENJC-UHFFFAOYSA-N
-rxn:4:215867:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc2)CC1,HUIHOKGXMLWBRC-UHFFFAOYSA-N
-rxn:4:215868:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(C(=O)N4CCN(C)CC4)c(F)c3)c2)CC1,GNDRCOUTLHKVOS-UHFFFAOYSA-N
-rxn:4:215872:223841,CCN1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)n2)CC1,WMSJXUILYQUIBH-UHFFFAOYSA-N
-rxn:4:215880:223841,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cn2)CC1,UDVQGGXJEHRNKU-UHFFFAOYSA-N
-rxn:4:215880:223845,CCN1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,AXRZULZEXJLOGC-UHFFFAOYSA-N
-rxn:4:215894:224283,CN1CCN(c2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)ccc2[N+](=O)[O-])CC1,HBSJBERLXDWLOF-UHFFFAOYSA-N
-rxn:4:215898:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)c2Cl)CC1,CROCTNZHQFPGIY-UHFFFAOYSA-N
-rxn:4:215904:222724,CS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,DMOCZHZOSCTJIQ-UHFFFAOYSA-N
-rxn:4:215906:222695,Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)NC1CCCC1,OTWJMRHAXCZDBN-UHFFFAOYSA-N
-rxn:4:215912:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cn2)CC1,QTYPXFFWONHRHH-UHFFFAOYSA-N
-rxn:4:215933:223787,CC1CCCN(Cc2nn(C)cc2-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)C1,OGAWTYFTQTVXMW-UHFFFAOYSA-N
-rxn:4:215942:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ncccc3N3CCC(N(C)C)CC3)c2)CC1,PVQQOJRZKWVUCN-UHFFFAOYSA-N
-rxn:4:215944:223787,CN1CCN(CCCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2F)CC1,JJAYLNKYZUQNTQ-UHFFFAOYSA-N
-rxn:4:215944:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(N4CCC(N(C)C)CC4)n3)c2)CC1,SXPCKNZOEGALCH-UHFFFAOYSA-N
-rxn:4:215957:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2)CC1,MXDXTEXVMFWCRS-UHFFFAOYSA-N
-rxn:4:215959:222538,Cc1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,ZJEQWUJQVLOMGU-UHFFFAOYSA-N
-rxn:4:215970:225128,COC(=O)C1(c2ccc(F)c(-c3cnc(SC)nc3N3CCC4(CC3)OCCO4)c2)CC1,KSPBBZWTGJRQER-UHFFFAOYSA-N
-rxn:4:216355:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C2(C(=O)N3C)c3[nH]c4ccccc4c3CCN2C(=O)C(C)C)c1,UJGVROCCJNTUBJ-UHFFFAOYSA-N
-rxn:4:216425:223492,Cc1cc(-c2cnn(C)c2[N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XESGMGGYCZWSCX-UHFFFAOYSA-N
-rxn:4:217149:223499,C=C1CCCN(c2ncc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,LZRWVRBYVPQWEV-UHFFFAOYSA-N
-rxn:4:217156:223712,COc1ccc(-c2cccc(N3CCN(C)C(=O)C3)n2)cc1C12CC3CC(CC(C3)C1)C2,NDHOUDQVRCECSR-UHFFFAOYSA-N
-rxn:4:217157:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C)C(=O)C3)nc2)CC1,XGJWKQVTCJEDDM-UHFFFAOYSA-N
-rxn:4:217196:223841,Cc1cc(F)c(-c2cnc(N3CCC(C)CC3)nc2Cl)cc1S(=O)(=O)N1CCN(C)CC1,HBCGPMXOCQSSKW-UHFFFAOYSA-N
-rxn:4:217210:223835,Cc1cc(F)c(-c2cnc(N3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,SEAIYHOJSNESSO-UHFFFAOYSA-N
-rxn:4:217210:223841,Cc1cc(F)c(-c2cnc(N3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,JSTNVQDZGTYMNA-UHFFFAOYSA-N
-rxn:4:217210:223842,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cnc1N1CCN(C)CC1,BPYBOWDJBCMVRW-UHFFFAOYSA-N
-rxn:4:217214:223841,Cc1cc(F)c(-c2ccc(N3CCN(C)CC3)nc2C)cc1S(=O)(=O)N1CCN(C)CC1,AIACLXKLQPKLBO-UHFFFAOYSA-N
-rxn:4:217905:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,UCYRSUPDXIFMMD-UHFFFAOYSA-N
-rxn:4:217905:222718,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)ccc2OC32CCN(C)CC2)o1,HSTIZGRPHLAQAE-UHFFFAOYSA-N
-rxn:4:218567:224941,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(CCN3CCOCC3)cc2)cn1,RUYGTGYCZKOTDT-UHFFFAOYSA-N
-rxn:4:218587:222389,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)cc1,GTUZMEIYSNOPIA-UHFFFAOYSA-N
-rxn:4:218600:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cnn(CCN2CCN(C(=O)OC(C)(C)C)CC2)c1,XSMKMQACFMLJCF-UHFFFAOYSA-N
-rxn:4:218606:222913,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)cn2)C1,HKVAAPQLFZJMNQ-UHFFFAOYSA-N
-rxn:4:218606:225126,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)ccc3OCC3CCCO3)cn2)C1,BIUMLAJMRYAAHW-UHFFFAOYSA-N
-rxn:4:218608:223107,COc1ncc(-c2cnc(OCC3CCCN(C(=O)c4cc(C5CC5)on4)C3)nc2)cc1NS(C)(=O)=O,CQHHJLGRJGMLBR-UHFFFAOYSA-N
-rxn:4:218630:224254,COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)o2)CC1,KNRRAPAJNSUSMD-UHFFFAOYSA-N
-rxn:4:218640:222716,CC(C)c1ocnc1CN1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cn2)C1,RSSDQWODECQRIW-UHFFFAOYSA-N
-rxn:4:218682:223241,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cncc(C5CCNC5)c4)cn3)C2)CC1,ANOZMLLPQUNWCC-UHFFFAOYSA-N
-rxn:4:218686:224670,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cc(CN4CCN(C)CC4)ccc3F)CC2)CC1,RKDQKFKZEMNCNS-UHFFFAOYSA-N
-rxn:4:218704:225898,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)n[nH]2)CC1,QSEDPOMUNVTXOZ-UHFFFAOYSA-N
-rxn:4:218768:223177,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(CNS(C)(=O)=O)cc1,FMDJJDXTCKCHMK-UHFFFAOYSA-N
-rxn:4:218775:224367,CC(C)COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)ccc1OC(F)(F)F,XSVZVUCDCOOENH-UHFFFAOYSA-N
-rxn:4:218775:225090,CCOCc1cc(OC)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)c(OC)c1,LKLLNFYJTLHABG-UHFFFAOYSA-N
-rxn:4:218831:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c2)CC1,RMZKKSVVXATTBM-UHFFFAOYSA-N
-rxn:4:218846:225892,COc1cnc(C(OC)OC)cc1-c1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)nc1,ODMFNSRMDRWUOS-UHFFFAOYSA-N
-rxn:4:218857:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnccc2OC2CCN(C(=O)c3cn(C)nc3C(F)F)C2)CC1,VVDPFZJVDQTEDJ-UHFFFAOYSA-N
-rxn:4:218867:225607,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C(C)N4CCCCC4)s3)c2)no1,NHYAQWLBQAFFTB-UHFFFAOYSA-N
-rxn:4:218867:225849,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCCC4)cc3F)c2)no1,SBPJWGVVPLYSIO-UHFFFAOYSA-N
-rxn:4:218868:225600,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3OC3CCCCC3)cc2)no1,NGAPLCXBDLEHGV-UHFFFAOYSA-N
-rxn:4:218868:226448,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(C4CCCC4)c3)cc2)no1,UHCCTPYDOHZBBY-UHFFFAOYSA-N
-rxn:4:218868:226612,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCC4)nc3)cc2)no1,QHOPMAURYYUAQH-UHFFFAOYSA-N
-rxn:4:218885:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(OCC2CCN(C(=O)c3scnc3C)CC2)nc1,GNTODMXCTLPUAD-UHFFFAOYSA-N
-rxn:4:218914:223532,Cc1nc(CN2CCC(COc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)cs1,YONQOVFLJQNCMG-UHFFFAOYSA-N
-rxn:4:218944:223085,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCC(O)C4)c3)cc2[N+](=O)[O-])CC1,SVQMJJGYVJQPNT-UHFFFAOYSA-N
-rxn:4:218975:223602,Cc1cccnc1OCC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2C#N)CC1,RCKUSONYAVLKLR-UHFFFAOYSA-N
-rxn:4:218977:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cnn(CC3CN(C(=O)c4ccc(N5C(=O)CCC5=O)cc4)C3)c2)c1,UHGJQNBLKNNZRW-UHFFFAOYSA-N
-rxn:4:218991:224817,Cn1cc(-c2ccccc2S(=O)(=O)N2CCOCC2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,RSAKJFZUJZWBSI-UHFFFAOYSA-N
-rxn:4:218992:225152,COc1cc(-n2cnc(C)c2)ccc1-c1cnn(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,CUSKEUTXXWFSRO-UHFFFAOYSA-N
-rxn:4:218993:224162,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cn3)CC2)s1,ZCLOIWGLUAFGFH-UHFFFAOYSA-N
-rxn:4:218999:223242,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccnc(C3CCNC3)c2)cc1C#N,XNUMUDKJNUXSQN-KKFHFHRHSA-N
-rxn:4:219012:222898,COC(=O)CNC(=O)c1ccc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc1,MQAUBHHFCCZFSZ-UHFFFAOYSA-N
-rxn:4:219046:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,WCDPZSQBAPHFRQ-UHFFFAOYSA-N
-rxn:4:219120:223028,CCCNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c1,SQYKWPLHWOBDMF-UHFFFAOYSA-N
-rxn:4:219353:225805,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)s1)N1CCOCC1,DAEXCSSFAQFNJE-UHFFFAOYSA-N
-rxn:4:219375:222573,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)nn2)C1,CJVYDLARXNXPDB-UHFFFAOYSA-N
-rxn:4:219431:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccccc3S(=O)(=O)N3CCC(n4cc(C5CC5)nn4)C3)c(F)c2)CC1,SFZJEHIGOFDRBF-UHFFFAOYSA-N
-rxn:4:219436:225977,N#Cc1cc(-c2cc(Cl)cnc2N2CCOCC2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,GQTCCBFQFBFFEF-UHFFFAOYSA-N
-rxn:4:219466:223660,Cc1cccc(CN2CCC(Oc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cn3)CC2)n1,UZFNBNLJXYPQGK-UHFFFAOYSA-N
-rxn:4:219467:223602,Cc1cccc(OCC2CCCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)n1,WPLPNYLJGWCNIA-UHFFFAOYSA-N
-rxn:4:219468:225093,CCCOc1c(Cl)cc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1OCC,SFJOTRWLPHCUNJ-UHFFFAOYSA-N
-rxn:4:219471:226474,CSc1ncc(-c2cncc(OCCN(C)C)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,WUHJVPOWKOTTAA-UHFFFAOYSA-N
-rxn:4:219474:223753,Cc1ccc(-c2ccc(-c3nnn(C)c3COC3CCCCO3)nc2C)cc1OCCCN1CCN(C)CC1,RSQJURNNTJZFDP-UHFFFAOYSA-N
-rxn:4:219508:225748,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccncc3OCC3CCCO3)CC2)cc(C(F)(F)F)n1,YPNKBSSMJBVJEA-UHFFFAOYSA-N
-rxn:4:219530:225520,CCCCOC(=O)c1cccc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c1,XIAURHKIQMRJJH-UHFFFAOYSA-N
-rxn:4:219545:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)o1)N1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,YRCSMRFRVZYTPE-UHFFFAOYSA-N
-rxn:4:219552:224751,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(F)c(C(=O)N2CCOCC2)c1,UANPSQISULBTQN-UHFFFAOYSA-N
-rxn:4:219552:225639,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cccnc1N1CCC(C)CC1,ZVNVPKQJGARYLG-UHFFFAOYSA-N
-rxn:4:219553:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1,QHPTXXTUNSVMDJ-UHFFFAOYSA-N
-rxn:4:219623:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)o1,UEMIDTVSGHVFIZ-UHFFFAOYSA-N
-rxn:4:219624:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)CC1,NGGRXRCPEDHNSP-UHFFFAOYSA-N
-rxn:4:219631:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N(C)C2CN(c3cc4c(nn3)CCC4)C2)o1,BDYMYRFIZYRGRC-UHFFFAOYSA-N
-rxn:4:219642:223958,CCN1CCN(C(=O)c2ccc(-c3cnccc3OC3CCN(c4nc5c(cc4C#N)CCC5)C3)cc2F)CC1,IUSGIJROMLTPMV-UHFFFAOYSA-N
-rxn:4:219650:226255,CCCCOc1ccc(Cl)cc1-c1cc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)ccc1OC,XKXBYFDVQRFMNS-UHFFFAOYSA-N
-rxn:4:219653:223997,Cc1cc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc(C)c1S(=O)(=O)N1CCOCC1,RCQYNGXFIKRNHK-UHFFFAOYSA-N
-rxn:4:219654:222923,Cc1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)NC1CC1,OYVKUKKTWTYCIZ-UHFFFAOYSA-N
-rxn:4:219672:222655,COc1ccc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)c(C(=O)N2C3CCC2CC(n2nccn2)C3)c1,NESGBYVNVZWFMM-UHFFFAOYSA-N
-rxn:4:219685:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4noc(Cn5c(=O)n(-c6ccc(F)cc6)c(=O)c6sccc65)n4)cc3)c2)CC1,MODQLXAXEKEJQD-UHFFFAOYSA-N
-rxn:4:219688:222584,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)CC1,VYHIKRRCFGKROM-UHFFFAOYSA-N
-rxn:4:219707:225638,CC1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,CFQCRDIACCZBLU-UHFFFAOYSA-N
-rxn:4:219750:225363,COc1ccc(-c2ccc(C(=O)N3CC(F)(F)C3)nc2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,HDXGGTOPIZDDCF-UHFFFAOYSA-N
-rxn:4:219762:223388,CC(=O)C1=C(c2ccc(-c3ccc(S(=O)(=O)O)cc3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,RCWKPXRDPGMNIW-UHFFFAOYSA-N
-rxn:4:219867:224818,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2[N+](=O)[O-])CC1,GPZMPRIWXCBAEP-UHFFFAOYSA-N
-rxn:4:219880:222601,CSc1ncc(-c2cccc3sc(NC(=O)OC(C)(C)C)nc23)c(N2CCN(S(C)(=O)=O)CC2)n1,AIFPHCZMYAWPIX-UHFFFAOYSA-N
-rxn:4:219880:224391,CSc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)c(N2CCN(S(C)(=O)=O)CC2)n1,OJSDQWVCGSYDBE-UHFFFAOYSA-N
-rxn:4:219904:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,QHVPZZMQZXBCJS-UHFFFAOYSA-N
-rxn:4:219908:222607,CN1CCCN(c2oc(-c3ccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)o3)nc2C#N)CC1,WFYDMTRAFQQFTQ-UHFFFAOYSA-N
-rxn:4:219908:222694,CN1CCCN(c2oc(-c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)o3)nc2C#N)CC1,GBEGAAKWAPQOLP-UHFFFAOYSA-N
-rxn:4:219955:225539,CCN(CC)Cc1c(F)cccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)nc1,JWRQRFGJMOBTBP-UHFFFAOYSA-N
-rxn:4:219959:223093,CC(C)S(=O)(=O)Nc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,YVYDBMYORMMVCQ-UHFFFAOYSA-N
-rxn:4:219959:223118,CCCC(=O)Nc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,FADVFPZHQJNNPU-UHFFFAOYSA-N
-rxn:4:219988:222826,O=C(C1CCCN(c2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)C1)N1CCOCC1,NKSARNNHLNEJTI-UHFFFAOYSA-N
-rxn:4:219998:223388,O=C(C1CCN(c2ncc(-c3ccc(S(=O)(=O)O)cc3)cn2)CC1)N1CCC(F)(F)CC1,OUFPCCJHMMJPKC-UHFFFAOYSA-N
-rxn:4:220132:224971,CN1CCN(Cc2ccc(-c3ccc4c(N5CC(C(=O)N6CCCC6)CC5=O)[nH]nc4c3)cc2)CC1,SXMOHYAMQSNTFD-UHFFFAOYSA-N
-rxn:4:220134:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2ccnn2)C3)cc1S(=O)(=O)NC1CCCC1,MHPYNFSEOUPTBE-UHFFFAOYSA-N
-rxn:4:220135:224195,CCN1CCN(Cc2cc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(n3cncn3)C4)ccc2Cl)CC1,JYPRHLAYHSCRSW-UHFFFAOYSA-N
-rxn:4:220162:223126,CSc1ncc(-c2cccc(NC(=O)C3CC3)c2)c(N2CC(N3CC4CCCC4C3)C2)n1,VKDSEICVNJUNOF-UHFFFAOYSA-N
-rxn:4:220205:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)ncc2c1,LGQCTTDYQDIJDB-UHFFFAOYSA-N
-rxn:4:220398:224063,CC1CCCN(c2cc(-c3cnc(N4CCN(C)CC4)c([N+](=O)[O-])c3)cc(C3CC3)c2)C1,JGBSDILHKWVVLI-UHFFFAOYSA-N
-rxn:4:220400:224155,CN1CCN(c2cc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)n3)cc(C3CC3)c2)CC1,XNELIABMLMBDLW-UHFFFAOYSA-N
-rxn:4:220424:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ccc(F)cc5)CC4)nc3)cc2[N+](=O)[O-])CC1,ALTCFTHQFQARNR-UHFFFAOYSA-N
-rxn:4:220430:222805,OC1CCN(c2cc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cc(F)c2F)CC1,LMVZZKZJAWGRHN-UHFFFAOYSA-N
-rxn:4:220430:224197,CCN1CCN(Cc2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cc2F)CC1,JRQXISZZBKWMFB-UHFFFAOYSA-N
-rxn:4:220430:225367,FC1(F)CCN(c2ncc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cn2)CC1,MNPUXPGJIOIFBU-UHFFFAOYSA-N
-rxn:4:220519:223499,CCN1CCN(c2ncnc3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,SAECQYOWHOLDEG-UHFFFAOYSA-N
-rxn:4:220547:222931,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(Cl)c(N6CCCCC6O)c5)c(C)c4)C3C2=O)c1,RKSSXKFVMRFOEO-UHFFFAOYSA-N
-rxn:4:221113:224666,CN1CCN(Cc2cc(-c3ccccc3CC(=O)N3CCN(Cc4nncn4C4CCCCC4)CC3)ccc2F)CC1,PFUIGNVOSNDTLV-UHFFFAOYSA-N
-rxn:4:221116:223140,CCOc1ccc(-c2ccnc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,SEJJKVRMKIWEAJ-UHFFFAOYSA-N
-rxn:4:221121:226373,Cc1ccn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)n1,HVTPYEUPCJWZNN-UHFFFAOYSA-N
-rxn:4:221173:222693,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)C2)ccc1=O,RKSTWZKPUFELFV-UHFFFAOYSA-N
-rxn:4:221181:223812,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)nn1C,BTLGQMMKQJIPJY-UHFFFAOYSA-N
-rxn:4:221181:224759,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)nn1C,WEJMKQZXLAFAEY-UHFFFAOYSA-N
-rxn:4:221181:225898,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)nn1C,IPZCWHQXNJPCGY-UHFFFAOYSA-N
-rxn:4:221194:223056,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCC(O)CC5)nc4)cn3)CC2)cn1C,ABIFYBUFTVZUJP-UHFFFAOYSA-N
-rxn:4:221230:224369,CCN(CC)S(=O)(=O)c1cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c(F)cc1C,UZYNSXOTJHWQFL-UHFFFAOYSA-N
-rxn:4:221232:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cnc(OCC2CCCN(c3nc4c(cc3C#N)COCC4)C2)nc1,WXWQXYDTESCHIU-UHFFFAOYSA-N
-rxn:4:221232:225661,Cc1cc(N2CCOCC2)ccc1-c1cnc(OCC2CCCN(c3nc4c(cc3C#N)COCC4)C2)nc1,GCNAHXALMLKEFE-UHFFFAOYSA-N
-rxn:4:221233:222584,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)c4)CC3)ccc2n1,STXFSOWFPBXSMA-UHFFFAOYSA-N
-rxn:4:221245:223945,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)c4)CC3)nn2c1C,AYPMRXUTTLTQID-UHFFFAOYSA-N
-rxn:4:221264:224759,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cc2)n(C)c1=O,VWFOXBNCGIMLFN-UHFFFAOYSA-N
-rxn:4:221269:226540,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C(=O)OCC)ccc3F)cc2)n(C)c1=O,FYVUPMZNHHDTIL-UHFFFAOYSA-N
-rxn:4:221415:222978,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCC5)cc4)cc3)CC2)n1,HGTVGXVTAQIZNN-UHFFFAOYSA-N
-rxn:4:221432:225203,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C(F)(F)F)c(C5CC5)cc4C)c3)CC2)n1,ZWCCFYJZZHQPNF-UHFFFAOYSA-N
-rxn:4:221437:224077,CC(C)(C)[Si](C)(C)n1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)c2ccccc21,JDBSILADNRYQGN-UHFFFAOYSA-N
-rxn:4:221437:227215,COCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)cc1,ZQIDOZZGIXQPLC-UHFFFAOYSA-N
-rxn:4:221443:223926,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)c3)CC2)n1,KWEJHDUIFJWMFJ-UHFFFAOYSA-N
-rxn:4:221443:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cccc(CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1,UNEDNGGLVJZQFW-UHFFFAOYSA-N
-rxn:4:221446:222972,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccccc4NC(=O)C(C)(C)C)cc3)CC2)n1,POJLBRGEEAZYDX-UHFFFAOYSA-N
-rxn:4:221449:222967,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCC(C)C)c4)cc3)CC2)n1,RGUXDAWKNDOMGV-UHFFFAOYSA-N
-rxn:4:221449:228486,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc([N+](=O)[O-])c4)cc3)CC2)n1,AWNFJYNNXKYHIH-UHFFFAOYSA-N
-rxn:4:221451:223958,CCN1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2F)CC1,CJGQEFYDMFEBJX-UHFFFAOYSA-N
-rxn:4:221456:223497,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(C)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cc3)CC2)n1,ZAYFKPDIKANZPH-UHFFFAOYSA-N
-rxn:4:221522:223532,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,KLPLFXCNMHKFQS-UHFFFAOYSA-N
-rxn:4:221528:225898,CC(C)c1sc(-c2cnn(CCN3CCOCC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,UTBFJLYFFALXGK-UHFFFAOYSA-N
-rxn:4:221608:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CCC(n4ccnn4)CC3)c2)CC1,PDKHNLKYEGDSOS-UHFFFAOYSA-N
-rxn:4:221608:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CCC(n4ccnn4)CC3)c2)CC1,AXUFDHAHZDZNFU-UHFFFAOYSA-N
-rxn:4:221626:223712,COc1ccc(-c2cnc(N3CCC(Oc4ncc(C)cn4)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,LDFXNTVHIBVBNW-UHFFFAOYSA-N
-rxn:4:221641:222538,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)CC1,YPSBGOQFAAOBFE-UHFFFAOYSA-N
-rxn:4:221726:222851,CCc1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,JJYJOMFFQBZPLS-UHFFFAOYSA-N
-rxn:4:221730:223649,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,WQRCXGFHYCJHHQ-UHFFFAOYSA-N
-rxn:4:221736:225530,CCN(CC)Cc1ccc(F)cc1-c1cncc(C(=O)N2CC3CN(c4nc(C)nc5c4CCC5)CC3C2)c1,WIOPEXBJZZOSHG-UHFFFAOYSA-N
-rxn:4:221788:224324,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)c(C(=O)N5CCC(=O)CC5)c4)cc3)c(=O)n2C)cc1,FJJOYFDXTGBTGU-UHFFFAOYSA-N
-rxn:4:221790:224414,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cc2)n(C)c1=O,PXLOWHNYAYKBHP-UHFFFAOYSA-N
-rxn:4:221832:224599,O=C(c1ccc(F)c(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c1)C1CCCCC1,VBUUEEFQXLYTIY-UHFFFAOYSA-N
-rxn:4:221939:222632,Cn1ncnc1CN1CCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)CC1,JJRDOSWOLASLAI-UHFFFAOYSA-N
-rxn:4:221978:222684,Clc1cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)ccc1OCCN1CCNCC1,BNJWGVACOQYDHH-UHFFFAOYSA-N
-rxn:4:221982:223120,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1,BKZVGPLDXJRRDE-UHFFFAOYSA-N
-rxn:4:221982:224485,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccn([Si](C(C)C)(C(C)C)C(C)C)c6)cc5)no4)C3C2=O)cc1,YJQRPCSPUVUICL-UHFFFAOYSA-N
-rxn:4:221992:223608,O=C(c1ccco1)N1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCOCC6)c5)cc4)nnn3c3ccccc23)CC1,SVBVBQASFRZDPD-UHFFFAOYSA-N
-rxn:4:222062:227512,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(C)cn1,VZVGOIOIUGGDQG-UHFFFAOYSA-N
-rxn:4:222089:224964,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(COC6CCOCC6)cc5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,RWKRTECCKOXULK-UHFFFAOYSA-N
-rxn:4:222108:223044,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)C)c(F)c6)cc5)no4)C3C2=O)cc1F,WQQVRVGFAMSXME-UHFFFAOYSA-N
-rxn:4:222108:223045,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)C)ccc6F)cc5)no4)C3C2=O)cc1F,NRBZZGGUJSPILK-UHFFFAOYSA-N
-rxn:4:222108:223785,CCN1CCN(CCOc2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cc2Cl)CC1,WFTXNQXPAWQWNS-UHFFFAOYSA-N
-rxn:4:222108:224612,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,XVSXKZYTOBXFDH-UHFFFAOYSA-N
-rxn:4:222108:225144,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)cc6C#N)cc5)no4)C3C2=O)cc1F,QDRXRQZAWBEOCK-UHFFFAOYSA-N
-rxn:4:222108:225168,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,IHEAFHIBEDKDAR-UHFFFAOYSA-N
-rxn:4:222161:223533,Cn1nc(C2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)n(C2CC2)c1=O,BOQVUKDTKNUFOW-UHFFFAOYSA-N
-rxn:4:222165:222723,CC(C)(C)c1ccc(N2CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)nn1,DKIOXSSEQDLBCD-UHFFFAOYSA-N
-rxn:4:222168:225215,CC1CCN(c2nccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)c2Cl)CC1,GUNZXEWQUABTSC-UHFFFAOYSA-N
-rxn:4:222229:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)ccc2F)CC1,UKFOPDZWBHOJMG-UHFFFAOYSA-N
-rxn:4:222264:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N(C)C4CN(c5ccc6nnc(C7CC7)n6n5)C4)c3)c(F)c2)CC1,DSIOUYYUIWLLBE-RQNOJGIXSA-N
-rxn:4:222276:223598,O=C(c1ccccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1,FXJYRJROKYVZSW-UHFFFAOYSA-N
-rxn:4:222322:222389,CN(C)c1cc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)ncn1,HQZONXOBAFPWCD-UHFFFAOYSA-N
-rxn:4:222331:222816,COc1ccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1S(=O)(=O)NC(C)C,OGPDPVIHHKKBPU-UHFFFAOYSA-N
-rxn:4:222332:223599,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc2cc(C(F)(F)F)ccc21,ODOAKCOAPLXOSP-UHFFFAOYSA-N
-rxn:4:222332:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)ccc21,GDKOSYJLHKVTGB-UHFFFAOYSA-N
-rxn:4:222333:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)s1,KUCJZGQMTJVOOJ-UHFFFAOYSA-N
-rxn:4:222337:225904,CON(C)C(=O)c1ccc(F)c(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)c1,GHEQFYLQJHRFKC-UHFFFAOYSA-N
-rxn:4:222378:223602,CCn1cnc2c(N3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cn4)CC3)ncnc21,DAZHOOVQZSUONH-UHFFFAOYSA-N
-rxn:4:222523:187446,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N=C(c3ccccc3)C(C)(C)C)cc2)c(C(F)(F)F)c1,TUECVOVPDZSISY-UHFFFAOYSA-N
-rxn:4:222540:215907,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)CC1,HHHNIYLYUZQWIA-UHFFFAOYSA-N
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-rxn:5:178467:227387:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3ccnc(N4CCCC4)c3)c2OC1,GTRXCOUEINLBQN-UHFFFAOYSA-N
-rxn:5:178467:227703:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,BVYSWPOGCPTPAA-UHFFFAOYSA-N
-rxn:5:178467:227803:228349,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCOC4)c3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,IYXMKETXTJELMP-UHFFFAOYSA-N
-rxn:5:178467:228193:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnn(C4CCCC4)c3)c2OC1,GYSFGXHHDOFQOE-UHFFFAOYSA-N
-rxn:5:178467:228204:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cc(C)cc(C#N)c3F)c2OC1,WISMFEWPOIPCTL-UHFFFAOYSA-N
-rxn:5:178467:228349:226898,CCOC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3cnn(C4CCOC4)c3)c2OC1,FFIQQADXSOINJX-UHFFFAOYSA-N
-rxn:5:178467:228964:222998,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(C4CCCNC4)c3)cc(-c3cnc(C(=O)OC)s3)c2OC1,DYTLCJKBJLCLPN-UHFFFAOYSA-N
-rxn:5:178467:228974:222960,CCOC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCNCC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,RZSSMSXCGNJOJD-UHFFFAOYSA-N
-rxn:5:179408:225832:225464,COC(=O)c1cc(-c2c(C)nn(C3CCCCO3)c2C)cc(-c2cccc(N3CCCC(C)C3)c2)c1C,BKDVJAOCBJBETF-UHFFFAOYSA-N
-rxn:5:179417:225684:223054,CCS(=O)(=O)c1ccc(-c2ccc(C3CCOCC3)nc2C)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,NJXODIYNXMZIFM-UHFFFAOYSA-N
-rxn:5:179418:225805:225798,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(OC3CCOCC3)nc2)s1)N1CCOCC1,JUDOKNFDYHIICC-UHFFFAOYSA-N
-rxn:5:179629:223054:226649,COc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(C)(=O)=O)c1-c1cccnc1N1CCOCC1,PVPNLLQXRVHCIT-UHFFFAOYSA-N
-rxn:5:179629:223065:225636,COc1ccc(-c2ccc(N3CCNCC3)cc2F)c(S(C)(=O)=O)c1-c1ccnc(N2CCC(C)CC2)c1,SZOOQPMHSFELSI-UHFFFAOYSA-N
-rxn:5:179629:225833:225985,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1cccc(N2CCCS2(=O)=O)c1,RZZJXXDAJVGNHX-UHFFFAOYSA-N
-rxn:5:179629:225834:225987,COc1ccc(-c2cc(N3CCCCC3)ncc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,NJJBFYJHXDULQE-UHFFFAOYSA-N
-rxn:5:179629:225834:226662,COc1ccc(-c2cc(N3CCCCC3)ncc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCN(C)CC2)s1,YDTUNOZFQUQRHI-UHFFFAOYSA-N
-rxn:5:179629:225849:225636,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccnc(N2CCC(C)CC2)c1,DTTFBCNPEJPRCY-UHFFFAOYSA-N
-rxn:5:179629:225849:225985,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cccc(N2CCCS2(=O)=O)c1,QFSHVQFXMBKSDP-UHFFFAOYSA-N
-rxn:5:179629:225849:226427,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1cc(N2CCC(C)CC2)cs1,GHSOLAOVYCYDQK-UHFFFAOYSA-N
-rxn:5:180021:225672:227611,COc1c(-c2cc(F)nc(C3CCCCC3)c2)cc(C2OCCO2)cc1-c1ccnn1C1CCCCO1,IWGQMHCZEVDLCW-UHFFFAOYSA-N
-rxn:5:180022:225451:226869,COc1c(-c2cc(F)cc(OC(F)(F)F)c2)ccc(-c2ccc(SC3CCCCC3)cc2)c1C1OCCO1,XQWUVFRMSSWRGD-UHFFFAOYSA-N
-rxn:5:180022:225986:225784,COc1c(-c2ccc(CN3CCOCC3)nc2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,HGYWRZYJQGDIIR-UHFFFAOYSA-N
-rxn:5:180022:226179:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)ccc(-c2cncc(C3CCCCC3)c2)c1C1OCCO1,WKZAPIYKTRAGLE-UHFFFAOYSA-N
-rxn:5:180267:225821:226028,CSc1cc(C(C)(C)C)cc(-c2ccc(C3CC3)c(C(F)(F)F)c2)c1-c1ccc(C(F)(F)F)c(C#N)c1F,QOYPOSZXAIPGTM-UHFFFAOYSA-N
-rxn:5:180297:223004:227506,COc1cc(-c2ccc(C3CCNCC3)c(F)c2)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,PKZGMDLGBHUDTR-JLHYYAGUSA-N
-rxn:5:180421:225832:227093,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1cccnc1C1CCCC1,DIGPLZBFQGSKQI-UHFFFAOYSA-N
-rxn:5:180506:226324:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2cccnc2OC2CCCC2)cc(C(C)(C)C)cc1C1OCCO1,WFLYUBUVUILWTK-UHFFFAOYSA-N
-rxn:5:180602:223138:222983,COC(=O)C1Cc2cc(-c3cccc(CN4CCC(O)C4)c3)cc(-c3ccnc(C4CCNCC4)c3)c2O1,FOOGZQSGFRJTEP-UHFFFAOYSA-N
-rxn:5:180602:225976:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,XOUIEJMNJJBWLY-UHFFFAOYSA-N
-rxn:5:180602:225976:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,HAYRDFIDJZXGDL-UHFFFAOYSA-N
-rxn:5:180662:222986:227779,COC(=O)C1=Cc2cc(-c3cc([N+](=O)[O-])cc(F)c3F)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,XCZVARUNOACHON-UHFFFAOYSA-N
-rxn:5:180662:223200:223010,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccc(C4CCNC4)cc3)c2OC1,BYAGUUMQWXVSBS-UHFFFAOYSA-N
-rxn:5:180662:223242:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccnc(C4CCNC4)c3)c2OC1,DFZMCLXPFFEQCV-UHFFFAOYSA-N
-rxn:5:180662:225831:227495,CCN(C)c1cc(-c2cc3c(c(-c4cnc(N5CCOCC5)c(C)c4)c2)OCC(C(=O)OC)=C3)c(F)cn1,ZEVMYTDVLPXRPX-UHFFFAOYSA-N
-rxn:5:180662:225976:227379,COC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,UIENSQSJSFRDST-UHFFFAOYSA-N
-rxn:5:180662:226085:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccc4c(c3)CCC(C)(C)O4)c2OC1,JDIXFDPMWWTFRS-UHFFFAOYSA-N
-rxn:5:180662:226144:223131,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,UJJUVHDRJDVTLD-UHFFFAOYSA-N
-rxn:5:181624:225832:223064,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2ccc(C3CCNCC3)nc2F)c1,SFRUWQSKWJJGIB-UHFFFAOYSA-N
-rxn:5:181628:225832:222981,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1,YBTCBNSRQADGIJ-UHFFFAOYSA-N
-rxn:5:181904:225832:226197,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C2CCCOC2)cc1,SXRMPXITVNNCLE-UHFFFAOYSA-N
-rxn:5:181905:222998:226686,Cc1ccc(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,SQAKXYBZQDERAR-UHFFFAOYSA-N
-rxn:5:181908:223007:223063,Cc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2cc(F)nc(C3CCNCC3)c2)cc1C1OCCO1,VSDOCJBQWMQSQH-UHFFFAOYSA-N
-rxn:5:181908:225394:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C3CCC3)cc(C3CC3)c2)cc1C1CCNCC1,MCMXHFUKTLENRT-UHFFFAOYSA-N
-rxn:5:181908:225634:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cnc(N3CCCCC3)c(C)c2)cc(C2CCNCC2)c1,HZCLQQPLBLAMIK-UHFFFAOYSA-N
-rxn:5:181908:225639:225407,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3CCCCCC3)cc2)cc1C1OCCO1,VVKFOXIXFICNQC-UHFFFAOYSA-N
-rxn:5:181908:226686:225636,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1C1OCCO1,BLQSXQJTSNXTAT-UHFFFAOYSA-N
-rxn:5:182011:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cnccc1C1CCCNC1,GFNIMACVJMBUSN-UHFFFAOYSA-N
-rxn:5:182012:222985:222958,Cc1ccc(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2C2CCCOC2)cc1C1CCNCC1,LPGWEJHIFHGJPU-UHFFFAOYSA-N
-rxn:5:182013:223058:226652,Cc1cc(-c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2C2CCOCC2)n(C2CCCCO2)n1,ZXCGKDFJAQZNHN-UHFFFAOYSA-N
-rxn:5:183189:222956:225674,Cc1ccc(-c2cc(-c3cnc(C4CCCCC4)cc3F)cc3c2OC(C)(C)OC3)c(C2CCCNC2)c1,CUOCVZFRFKCFAC-UHFFFAOYSA-N
-rxn:5:183189:225407:222959,Cc1cc(-c2cc3c(c(-c4ccc(C5CCCCCC5)cc4)c2)OC(C)(C)OC3)ccc1C1CCNCC1,AIZGKMORVRNLNS-UHFFFAOYSA-N
-rxn:5:183189:226686:225834,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(N3CCCCC3)ncc2F)cc2c1OC(C)(C)OC2,FZHNSZCBWWRTAV-UHFFFAOYSA-N
-rxn:5:188445:226032:226190,COC(=O)c1cc(-c2cc(OC)cc(C(F)(F)F)c2F)cc([N+](=O)[O-])c1-c1ccc(C2CCCC2)cc1F,PSMSPOKLIXNMFU-UHFFFAOYSA-N
-rxn:5:189000:226875:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc([N+](=O)[O-])c(OC(C)C)cc1-c1cc(F)c(OC(F)F)cc1F,FLEOTBYSVSTIHK-UHFFFAOYSA-N
-rxn:5:189207:223066:225633,COC(=O)c1n[nH]c2cc(-c3ccc(-c4ccc(N5CCCCCC5)nc4)c(C(=O)ON4C(=O)CCC4=O)c3)ccc12,GSYFRJZHYLSWIW-UHFFFAOYSA-N
-rxn:5:189207:227354:225453,CC(C)Oc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)ccc1F,LTSIAOPYOYBNSD-UHFFFAOYSA-N
-rxn:5:189207:227545:227804,CCOc1ccc(F)c(-c2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])c(C(=O)ON3C(=O)CCC3=O)c2)c1F,DMBNFIHADPMHJA-UHFFFAOYSA-N
-rxn:5:189211:227458:227458,CN1CCOc2cc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cnc4c(c3)OCCN4C)cnc21,LVEZRKKNRJIFOK-UHFFFAOYSA-N
-rxn:5:189323:226041:226051,CC(C)(C)OC(=O)c1cc(-c2c(OC(F)(F)F)ccc(F)c2F)ncc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,AAJPLHVXNNMZGE-UHFFFAOYSA-N
-rxn:5:189662:225498:227057,COc1cccc(-c2ncc(-c3cc(C4CCCCC4)ccc3F)cc2OCC2CCOCC2)c1C1CC1,WKGFUAGNUAAJTG-UHFFFAOYSA-N
-rxn:5:189662:225499:227574,COc1c(F)ccc(-c2ncc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCOCC2)c1OC,QYEJTEDDQNUERJ-UHFFFAOYSA-N
-rxn:5:189665:226464:225677,COc1ccc2c(c1-c1cnc(OCC3CCOCC3)c(-c3ccc(C4CCCCC4)nc3F)c1)OCCO2,JBANQQDKSUBSDS-UHFFFAOYSA-N
-rxn:5:189908:226778:227103,COc1cc(-c2cnc(-c3sccc3C3CCCCC3)c(OCC3CCCCC3)c2)c(F)c(F)c1OC,IHTAMLLWYHZYOH-UHFFFAOYSA-N
-rxn:5:189908:227574:225672,COc1c(F)ccc(-c2cnc(-c3cc(F)nc(C4CCCCC4)c3)c(OCC3CCCCC3)c2)c1OC,RQOZGIGOGULGCU-UHFFFAOYSA-N
-rxn:5:189952:223011:225982,COc1c(-c2cnc(N3CCOCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cc2[nH]ncc2cc1OC(C)C,RAQLSAVHNCLCPG-UHFFFAOYSA-N
-rxn:5:189952:225834:227379,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cccnc1N1CCCC1,FBDZWBWZCWHLSA-UHFFFAOYSA-N
-rxn:5:190127:228925:225436,COC1CCN(C(=O)c2cc(-c3cc(SC)cnc3F)ccc2-c2ccc(CN3CCCCC3)cc2)CC1,PKADCBHKHVPLKS-UHFFFAOYSA-N
-rxn:5:190128:228472:226130,COC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)nc3)c(-c3ccc(CN4CCCC4)cc3)c2)CC1,YSASPJBQMRPKJQ-UHFFFAOYSA-N
-rxn:5:190177:225674:223058,O=C1CC(Sc2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2)C(=O)N1c1ccc(-c2cnc(C3CCCCC3)cc2F)cc1,CKEUDTCZMGHBPV-UHFFFAOYSA-N
-rxn:5:190194:227119:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)cs2)cc(F)c1OC,CRHPGCJWSMRIQJ-UHFFFAOYSA-N
-rxn:5:190197:226583:227297,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1,LXJNUKQKANCFOB-UHFFFAOYSA-N
-rxn:5:190199:223062:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cnc(C2CCNCC2)cc1F)C1CCOCC1,JNGYMMOASMKHFK-UHFFFAOYSA-N
-rxn:5:190199:223113:223056,CN(Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DQFCSXXIYBMKEE-UHFFFAOYSA-N
-rxn:5:190231:222421:225884,COc1c(-c2cncc(S(N)(=O)=O)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C2COCCO2)c(F)c1,QQIROAIXLWGELJ-UHFFFAOYSA-N
-rxn:5:190231:228256:223010,COc1cc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2OC)cc(C)c1F,SIEBXMXSGKMLDA-UHFFFAOYSA-N
-rxn:5:190265:226182:228496,CC1CCCN(C(=O)Cc2ccc(-c3cnn(CC(F)(F)F)c3)c(-c3cccnc3C3CCCCC3)c2)C1,QZZMZVSBXSXDRU-UHFFFAOYSA-N
-rxn:5:190265:226901:225507,COC(=O)C1CCc2cc(-c3ccc(CC(=O)N4CCCC(C)C4)cc3-c3cccc(S(F)(F)(F)(F)F)c3)ccc21,KDQQCXSTBIIFPM-UHFFFAOYSA-N
-rxn:5:190307:223061:227506,CC1CCN(CCc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,HRPXCGQDKNXDLR-WOJGMQOQSA-N
-rxn:5:190309:226573:227657,Cc1nc(OC(C)(C)C)ncc1-c1ccc(-c2ccc(N3CCOCC3)s2)c(CCN2CCCCC2C)c1,SXUHXLGBHJCZMJ-UHFFFAOYSA-N
-rxn:5:190335:226594:227020,COc1c(-c2cncc(C#CC3CC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1c(F)cc(OC(C)C)cc1F,LGNCCXKMEDLKGK-UHFFFAOYSA-N
-rxn:5:190335:229118:225441,COc1c(-c2cc(C)nc(F)c2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CC2)cnc1C(C)(C)C,LXRFMJSLDNRMRR-UHFFFAOYSA-N
-rxn:5:190336:225616:227339,COC(=O)c1cc(C)ccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccccc2C(=O)N2CCCC2)c1OC,URWSLLQPHUXFFN-UHFFFAOYSA-N
-rxn:5:190459:227328:226779,CC(C)Oc1cc(F)cc(-c2ccccc2C(=O)N2CCSC(c3ccccc3-c3ccc(C(=O)C(F)(F)F)cc3)CC2)c1,FNFOFVRIUWOQAQ-UHFFFAOYSA-N
-rxn:5:190484:223240:227505,O=C(c1cccc(-c2ccc(C3CCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,WHWKSVFKRVBXPV-XDJHFCHBSA-N
-rxn:5:190484:223242:227505,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,HNNWWFPRNITAHX-XMHGGMMESA-N
-rxn:5:190484:226761:223263,CNC(=O)c1ccc(F)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(SC)cc4C(F)(F)F)c3)CCS2(=O)=O)c1,NZRMYGUXCHBDAK-UHFFFAOYSA-N
-rxn:5:190740:223056:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cnc(N2CCOCC2)cc1F,CHLGDNJNNRRZCM-UHFFFAOYSA-N
-rxn:5:190740:225834:225982,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1cnc(N2CCOCC2)cc1F,ZDMDQGOFTRBIRR-UHFFFAOYSA-N
-rxn:5:190741:225607:225976,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,QAOCPWFIDOBJID-UHFFFAOYSA-N
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-rxn:5:226211:178295:228582,COC(=O)C1(c2cc(-c3cnccc3C(C)C)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,DEESPUNRZATBFF-UHFFFAOYSA-N
-rxn:5:226322:178295:228515,CCc1cccc(C)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,RJRDVJRXYLYHTM-UHFFFAOYSA-N
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-rxn:5:226364:193506:228079,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2cccc3c2COC3=O)CC1,HVSAYRPPYLUQCM-UHFFFAOYSA-N
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-rxn:5:226665:193335:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2cnc(C3CCCOC3)nc2)c1CN1CCOCC1,FJLTYJVLWOKCME-UHFFFAOYSA-N
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-rxn:5:226686:183189:225671,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCCCC3)ncc2F)cc2c1OC(C)(C)OC2,LXIWUGFSJDSKFX-UHFFFAOYSA-N
-rxn:5:226686:196408:226652,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3c(C)cnn3C3CCCCO3)c2)n(C2CCCCO2)n1,VOYAQUUGTSWLRZ-UHFFFAOYSA-N
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-rxn:5:226686:196859:225656,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1cncc(N2CCCCC2C)c1,KZBIRIILWYQUSB-UHFFFAOYSA-N
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-rxn:5:226926:178295:223018,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,MXJWBGOGOVVMGI-UHFFFAOYSA-N
-rxn:5:226926:178295:227860,COC(=O)C1(c2cc(-c3ccc4c(c3)CCN4C)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,AUAHKOFGWOFWTK-UHFFFAOYSA-N
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-rxn:5:227077:178295:228363,CCC(C)c1ccc(-c2ccc(-c3cnc(N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,DRISKSWROYYQMQ-UHFFFAOYSA-N
-rxn:5:227113:178295:227816,CCCc1ccc(-c2ccc(-c3cc(C4CC4)c(F)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,ORZSRCQPEDUSBJ-UHFFFAOYSA-N
-rxn:5:227286:178295:227977,COC(=O)C1(c2cc(-c3cc(C)c(OC)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,DKHXURJEUWPCJW-UHFFFAOYSA-N
-rxn:5:227309:178295:227818,CCC(C)c1cccc(-c2ccc(-c3cc(F)nc(C(C)CC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SWFMFRRTZCWIGF-UHFFFAOYSA-N
-rxn:5:227311:178295:227075,CCC(C)c1cc(F)c(-c2ccc(-c3cc(OC)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,YSAUCTZNBBYGCR-UHFFFAOYSA-N
-rxn:5:227311:178295:228178,CCC(C)c1cc(F)c(-c2ccc(-c3cc(COC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,WYDSNIQISQYZNY-UHFFFAOYSA-N
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-rxn:5:227349:178295:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2cc(C)cc(OC)c2OC)CCC(=O)CC1,LDCFXVUCMWUQHO-UHFFFAOYSA-N
-rxn:5:227350:178295:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2c(OC)cc(C)cc2OC)CCC(=O)CC1,MVHICMRHDXZVKY-UHFFFAOYSA-N
-rxn:5:227403:193506:228207,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2cc(C3CC3)cnc2F)CC1,QJJPHFFGTZCLRS-UHFFFAOYSA-N
-rxn:5:227404:193506:228207,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2cc(C3CC3)cnc2F)CC1,MPAIIZLWGZJTHQ-UHFFFAOYSA-N
-rxn:5:227404:193506:228223,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cs3)cc2-c2ccc(C3CC3)nc2F)CC1,LQSZOLNSCDIJPC-UHFFFAOYSA-N
-rxn:5:227408:193506:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ncc3F)cc2-c2cc(N3CCCC3)cs2)CC1,UKWOPYORSGUCMZ-UHFFFAOYSA-N
-rxn:5:227409:197876:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,BDBIOZXXYDIMCV-UHFFFAOYSA-N
-rxn:5:227413:193506:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCC4)cc3F)cc2-c2cc(N3CCCC3)cs2)CC1,QMLFRRMFMJEUQG-UHFFFAOYSA-N
-rxn:5:227419:193506:228210,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCC4)nc3F)cc2-c2ccc(N3CCCC3)s2)CC1,SBRQRTHZOWQSAI-UHFFFAOYSA-N
-rxn:5:227458:193808:225985,CC1CCN(Cc2cc(-c3cnc4c(c3)OCCN4C)ccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,FBFMVBIZYJLCMI-UHFFFAOYSA-N
-rxn:5:227458:193809:225985,CC1CCN(Cc2ccc(-c3cnc4c(c3)OCCN4C)cc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,FXUVQYKXFRJMRK-UHFFFAOYSA-N
-rxn:5:227525:178295:227939,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccccc2C(C)OC)cc1C1(C(=O)OC)CCC(=O)CC1,ANNJUVIJQMISJA-UHFFFAOYSA-N
-rxn:5:227530:178295:227816,CCCc1ccc(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RYSYIUVBYQTSJW-UHFFFAOYSA-N
-rxn:5:227562:178226:225672,COc1ccc(F)c(-c2c(OCC3CCCCC3)cccc2-c2cc(F)nc(C3CCCCC3)c2)c1OC,HVUOEIRIIUZMPI-UHFFFAOYSA-N
-rxn:5:227568:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,IKBHIHBJYPEZSX-UHFFFAOYSA-N
-rxn:5:227591:178295:227942,CCc1ccc(-c2ccc(-c3ccc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,CYCJEHAZEISEBY-UHFFFAOYSA-N
-rxn:5:227613:181908:225832,Cc1cc(-c2cnn(C3CCOCC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,LHCCSUZXHDHJLD-UHFFFAOYSA-N
-rxn:5:227613:196969:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cnn(C2CCOCC2)c1,XEQYETNFDNEEAJ-UHFFFAOYSA-N
-rxn:5:227811:178295:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc(CC(C)C)cc2)CCC(=O)CC1,VNHGBIXTVYTYKD-UHFFFAOYSA-N
-rxn:5:227815:178295:227706,CCC(C)c1ccccc1-c1ccc(-c2cc(OC)cnc2C(F)F)cc1C1(C(=O)OC)CCC(=O)CC1,GVPOSYMMOXVLLM-UHFFFAOYSA-N
-rxn:5:227820:178295:227313,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,JMMOFWXNJQRMNU-UHFFFAOYSA-N
-rxn:5:227822:178295:227084,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3C)ccc2-c2c(C)cccc2C(C)C)CCC(=O)CC1,NLZSUGFIOAKLMC-UHFFFAOYSA-N
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-rxn:5:227832:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C3CC3)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZDPOZWUQJIUXPL-UHFFFAOYSA-N
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-rxn:5:227912:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C(C)OC)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,LHQNOENIQVREDF-UHFFFAOYSA-N
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-rxn:5:228207:193506:227404,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cnc3F)cc2-c2cc(N3CCCCC3)cs2)CC1,FWEWMTVRBYEDCC-UHFFFAOYSA-N
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-rxn:5:228231:190833:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(N(C)C)cc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,PLDMMVPENDTZPG-UHFFFAOYSA-N
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-rxn:4:175935:222646,CCOC(=O)C1(c2cccc(-c3c(C)cc(NC(=O)OC(C)(C)C)cc3C)c2)CCCC1,CWCIJULUIAVRLK-UHFFFAOYSA-N
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-rxn:4:177464:223712,COC(=O)C1OC1(C)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,LXUZSBIBSQHDHY-UHFFFAOYSA-N
-rxn:4:178211:223593,COC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1-c1ccc(C)cc1F,MPZXRTPTOQRKRU-UHFFFAOYSA-N
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-rxn:4:178327:223568,COC(=O)C1(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)CCCCC1,SACDAAKELHLIAY-UHFFFAOYSA-N
-rxn:4:178329:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)CC4CCCCC4)c3)cc2)CC1,LEPBIDBKJSXPNJ-UHFFFAOYSA-N
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-rxn:4:178384:228148,COc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1OC,XSKYTJHAXPIWHU-UHFFFAOYSA-N
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-rxn:4:180792:224425,CCCC1CCC(c2ccccc2-c2ccc3c(c2)C(=O)C2(CCC(OCC)CC2)C3)CC1,UPVDZQLPNVEZJG-UHFFFAOYSA-N
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-rxn:4:182376:223866,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccccc4CN4C(C)(C)CCCC4(C)C)cc3C2=O)C[C@@H]1C,BODJNNAXGDJJCB-IFWBQWGNSA-N
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-rxn:4:183274:223440,c1cc2c(cc1-c1ccc(C3CC3)[nH]1)OCCOCCOCCOCCOCCOCCOCCO2,HZEKIEGSEDQKEE-UHFFFAOYSA-N
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-rxn:4:183745:224251,COC(=O)CSC1CCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)c2)C1,NDGFHYHLPHUUBX-UHFFFAOYSA-N
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-rxn:4:183860:224488,COC(=O)CN1CCC(COc2ccccc2-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)CC1,ULXWJZWXCSIPBL-UHFFFAOYSA-N
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-rxn:4:189215:223926,O=C(ON1C(=O)CCC1=O)c1cc(F)cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1,AFMXLDYABJEABM-UHFFFAOYSA-N
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-rxn:4:203945:223568,CC(=O)N1N=C(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)CC1c1ccc(C)o1,GOSBBBOWCOGLHW-UHFFFAOYSA-N
-rxn:4:204010:222442,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)n2)CC1,VHPLQFPEEYZKCE-UHFFFAOYSA-N
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-rxn:4:206964:222522,COc1ccc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,ZQUKBTKLTXZYSH-UHFFFAOYSA-N
-rxn:4:206981:223823,Cc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCC(C(F)(F)F)CC1,BNTWUTQWBATTQI-UHFFFAOYSA-N
-rxn:4:207019:224198,CCN1CCN(Cc2ccc(-c3cc(C)c(F)c(C(=O)N4CCN(C)CC4)c3)c(F)c2)CC1,SXFFZENKRUHINR-UHFFFAOYSA-N
-rxn:4:207041:223992,Cc1ccc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,YEZPLACZFCERMY-UHFFFAOYSA-N
-rxn:4:207060:222804,CN1CCCN(S(=O)(=O)c2ccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cc2)CC1,AERPIGNFHMBPRJ-UHFFFAOYSA-N
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-rxn:4:207092:222459,CC1(C)COC(c2ccc(C3=NC(C)(C)CO3)c(-c3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3F)c2)=N1,XASVGEFIJZDMCU-UHFFFAOYSA-N
-rxn:4:207322:223593,COc1cc2ncc([N+](=O)[O-])c(Cl)c2cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,ZIDUQOUCACLARM-UHFFFAOYSA-N
-rxn:4:207396:222466,COC(=O)C1CCn2c(cnc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)C1,FEFAEUFDJMYTAF-UHFFFAOYSA-N
-rxn:4:207447:223831,COc1ccc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCC(C)CC1,VMACWQGAUGVUHJ-UHFFFAOYSA-N
-rxn:4:207825:224774,O=C1OC2(CCCN(C(=O)c3cncc(-c4ccc(N5CCCC5)c(C(F)(F)F)c4)c3)C2)c2ccccc21,ZTUJPXSADGPIAQ-UHFFFAOYSA-N
-rxn:4:207828:223567,CC(C)Oc1ccc2c(c1)cc(-c1cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c1)n2C(=O)OC(C)(C)C,APZDKNAOPZPMMV-UHFFFAOYSA-N
-rxn:4:207854:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,QQCVVWLMXBEOGM-UHFFFAOYSA-N
-rxn:4:207959:226174,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCCC5)nc4)ccc2OC3C2CCCCC2)cc1,HJFKPSBABDCADG-UHFFFAOYSA-N
-rxn:4:207965:227596,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,HFMXLBANIQFZAU-UHFFFAOYSA-N
-rxn:4:210502:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3nnc(C4CC5CCC4O5)s3)cn2)CC1,DIBSCIMRVIXPKW-UHFFFAOYSA-N
-rxn:4:210592:223588,CC(=O)N1CCOc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cnc21,WYBHXHDZOVNAHJ-UHFFFAOYSA-N
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-rxn:4:211101:226652,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nn4C4CCCCO4)ccc2OC32CCC(C)CC2)cc1,CFEDASIPSPYAEC-UHFFFAOYSA-N
-rxn:4:212492:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCc3cccnc3C4=C3CCN(C)CC3)cc2)CC1,LKMLZENEFIERQP-UHFFFAOYSA-N
-rxn:4:212492:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)CCc3cccnc3C4=C3CCN(C)CC3)c2)CC1,ADGQSSVGHBYCFE-UHFFFAOYSA-N
-rxn:4:212541:223079,CC(C)NS(=O)(=O)c1cccc(-c2cncc(OCC3CN(C(=O)OC(C)(C)C)C3)n2)c1,ORUUSSDHLLQEFC-UHFFFAOYSA-N
-rxn:4:212569:226318,CN(C)c1cc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)cc(C2CC2)n1,ANXNBEKKQGJFMD-UHFFFAOYSA-N
-rxn:4:212608:222625,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cccc(C(=O)Nc4ccc(C)cc4)c3)cn2)C1,GPXZMERUZUMREO-UHFFFAOYSA-N
-rxn:4:212608:225984,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,LCNJPCLPFOGSID-UHFFFAOYSA-N
-rxn:4:212622:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)cc2)C1,RADYVDILAWCVOJ-UHFFFAOYSA-N
-rxn:4:212637:225178,CN(C(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2F)nc1)C1CCN(C(=O)OC(C)(C)C)C1,GFMNOWLQCUQBEA-UHFFFAOYSA-N
-rxn:4:212665:223075,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cn2)C1,BFIZESJREATXJM-UHFFFAOYSA-N
-rxn:4:212689:223741,Cn1cc(-c2cc(CN3CCCc4ccccc43)ccc2F)c(CN(C(=O)OC(C)(C)C)C2CCCCC2)n1,IIEZDMWJLNWKJM-UHFFFAOYSA-N
-rxn:4:212710:222695,Cc1ccc(-c2ccc(CC(=O)N3CCC(COc4ncnc(C)c4C)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,GXQXASWLGWONPS-UHFFFAOYSA-N
-rxn:4:212729:226661,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(N6CCN(C)CC6)cs5)cc4)C3)n2)cc1OC,QQUFGXVDESQNAD-UHFFFAOYSA-N
-rxn:4:212737:224921,Cc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)cc1,IOXYJMPXHKWNJJ-UHFFFAOYSA-N
-rxn:4:212741:222788,CC1CN(Cc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,WVZRWFVVACCQCV-UHFFFAOYSA-N
-rxn:4:212771:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc3nc(N(CCN(C)C)C(=O)C4=COCCO4)sc3c2)c1Cl,BWAJZLHJMDGRAB-UHFFFAOYSA-N
-rxn:4:212791:228912,CCOC(=O)c1nn2c(c1-c1cnc(Cl)c(OC)c1)CN(C(=O)OC(C)(C)C)CCC2,POSVUPPTQRMEIJ-UHFFFAOYSA-N
-rxn:4:212839:222870,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)cc(C(=O)NCC(C)C)c4)ccn23)CC1,VNRVUAKDRUCGJX-UHFFFAOYSA-N
-rxn:4:212839:227016,C/C=C/COc1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1,PBWOXOGPSXOZAD-VQHVLOKHSA-N
-rxn:4:212907:224975,CCN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)CC5CC5)C4)nc3)cc2)CC1,STXANNJFRPCKCF-UHFFFAOYSA-N
-rxn:4:212914:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CC(Oc5ccnc(C(F)(F)F)c5)C4)c3)c(F)c2)CC1,VQCNVHBIAVRGQM-UHFFFAOYSA-N
-rxn:4:212943:222916,CCOC(=O)N1CCN(c2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2C(F)(F)F)CC1,LMZSQNNEGHGUNO-UHFFFAOYSA-N
-rxn:4:212968:222723,O=C(C1CC1)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,RIWVGWZUJMPTLK-UHFFFAOYSA-N
-rxn:4:212988:226482,COCCOc1ncc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1C,YTJZURSKJOFRIZ-UHFFFAOYSA-N
-rxn:4:213024:223813,N#Cc1ccnc(OC2CCCN(C(=O)c3ccccc3-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)C2)c1,MKVHDIVXVIZOMM-UHFFFAOYSA-N
-rxn:4:213066:227469,COCC(C)(C)n1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)cn1,CYDLUIIEDGPJRL-UHFFFAOYSA-N
-rxn:4:213070:223178,CONC(=O)c1ccc(F)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,OZZPUHDXEGHHHE-UHFFFAOYSA-N
-rxn:4:213075:226645,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccnc(N4CCOCC4)c3)n2)CC1,XTTDROLGHPQJDL-UHFFFAOYSA-N
-rxn:4:213075:227243,CC(=O)OCc1cccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,FGSVVDFSGXWZBP-UHFFFAOYSA-N
-rxn:4:213095:227259,COc1ccc(CSC)cc1-c1cc(C#N)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,AJQFWPWOAMFUEO-UHFFFAOYSA-N
-rxn:4:213107:224489,COc1ccc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)ccc4CN(C(C)C)C(C)C)cn3)C2)cc1,JEWOWBGTGQMSKC-UHFFFAOYSA-N
-rxn:4:213114:225175,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(-c3ccc(F)c(CN4CCOCC4)c3)cn2)C1,QCYKWVDABDFPAZ-UHFFFAOYSA-N
-rxn:4:213132:222916,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)C1,XGGVKPVAPMLGJK-UHFFFAOYSA-N
-rxn:4:213135:222645,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cccc(OCCN4CCC(O)CC4)c3)cn2)CC1,PHEYKLWXRFWJFR-UHFFFAOYSA-N
-rxn:4:213135:223048,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4CC4)c3F)cn2)CC1,OUSSVELOIXVTQM-UHFFFAOYSA-N
-rxn:4:213135:223815,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,SHDOXLVXSCRVFF-UHFFFAOYSA-N
-rxn:4:213135:225720,CCOC(=O)COc1ccccc1-c1cnc(OC2CCN(C(=O)CC(C)(C)C)CC2)nc1,NNZXREVYMATADR-UHFFFAOYSA-N
-rxn:4:213185:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C(=O)N4CCN(Cc5nc(-c6ccccc6)cs5)CC4)o3)c2)CC1,FGXYRFCAJCZFOE-UHFFFAOYSA-N
-rxn:4:213192:227467,COCCOc1cnccc1-c1cc(C(=O)OC(C)(C)C)cc(N2CCN(C(C)=O)CC2)n1,QGJOKSHIEVHIJO-UHFFFAOYSA-N
-rxn:4:213202:225217,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCC(C)C4)cc3F)CC2)nn1,FISDEFDGMIWBQQ-UHFFFAOYSA-N
-rxn:4:213216:227266,CCOCc1cc(F)ccc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,DKZMFNFFRHOHSH-UHFFFAOYSA-N
-rxn:4:213226:222913,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)c2)[nH]1,FARVQFMZGFLFBN-VWLOTQADSA-N
-rxn:4:213243:224404,O=C(CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cc2)CC1)N1CCOCC1,ZXTWLOBKDNBXLO-UHFFFAOYSA-N
-rxn:4:213300:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccnc2c1cnn2COC(=O)OC(C)(C)C,PVFNFADBBHGXIH-UHFFFAOYSA-N
-rxn:4:213339:222684,Cn1nc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2c1C(=O)N1CC(S(=O)(=O)Cc2ccco2)C1,ULPXFXOFRSNDJC-UHFFFAOYSA-N
-rxn:4:213415:225342,CN(C)C(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)cc([N+](=O)[O-])c1,DDCXBUAWLNBQDD-UHFFFAOYSA-N
-rxn:4:213469:228469,Cc1ncc([N+](=O)[O-])cc1-c1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c(F)c1,UXGAAVUULZRGLM-FCEKVYKBSA-N
-rxn:4:213480:223049,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)NC5CC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OXKCVQYKFOBUNT-VAALAVNJSA-N
-rxn:4:213480:224199,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCN(C(C)=O)CC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XGDXFGFBZWGOSJ-FCXOZWAYSA-N
-rxn:4:213480:224666,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(CN5CCN(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KLJSWRCDDBCHBT-RDPIHECBSA-N
-rxn:4:213657:222899,CCCCNS(=O)(=O)c1ccc(-c2cnn([C@H]3CON(C(=O)OC(C)(C)C)C3)c2)cc1,KKKNTXOIZATGIW-GOSISDBHSA-N
-rxn:4:213659:223787,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,CVYRNNUKINFWKH-UHFFFAOYSA-N
-rxn:4:213664:224718,CCC(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,SXTOKJMNTOGXGF-UHFFFAOYSA-N
-rxn:4:213693:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)cc1,NATKRDMRSUYYLT-UHFFFAOYSA-N
-rxn:4:213693:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)cc1,NHVGZOMCARLESK-UHFFFAOYSA-N
-rxn:4:213713:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)cc1F,UGFXLXKRXRKAKX-KRWDZBQOSA-N
-rxn:4:213755:223080,CC(C)NS(=O)(=O)c1ccc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,VXAGZMZNOVXLMY-UHFFFAOYSA-N
-rxn:4:213756:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1,QADXJRAQKLPNPC-UHFFFAOYSA-N
-rxn:4:213805:224669,CN1CCN(Cc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)c(F)c2)CC1,KTJPXHDBOUYBCJ-UHFFFAOYSA-N
-rxn:4:213832:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,DCEAMELRLYQVNG-UHFFFAOYSA-N
-rxn:4:213836:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,FBIQNVBAYBRGEG-UHFFFAOYSA-N
-rxn:4:213841:224666,CN1CCN(Cc2cc(-c3cnc(OC4CCN(CC5CCC5)CC4)nc3)ccc2F)CC1,ZWVBUIAPAAJONG-UHFFFAOYSA-N
-rxn:4:213841:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cnc(OC2CCN(CC3CCC3)CC2)nc1,VHGNWNZKSOBQFD-UHFFFAOYSA-N
-rxn:4:213846:225558,CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(-c3ccccc3OCC3CCOC3)c2)CC1,WVGUMBSRNSLCHK-UHFFFAOYSA-N
-rxn:4:213858:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCSCC5)n4)cc3)c(F)cc2C)CC1,LMWQQPUKZUKECC-UHFFFAOYSA-N
-rxn:4:213872:225228,CN1CCN(c2ccc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)c(F)c2)CC1,UWQMDGYILQPGPW-UHFFFAOYSA-N
-rxn:4:213884:224718,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(OCCN4CCOCC4)nc3)n2)CC1,GGKPIZLXYKAKGX-UHFFFAOYSA-N
-rxn:4:213948:225547,CCCCOc1cc(F)c(C)cc1-c1cnc(OC2CCN(CC3CCCC3)CC2)nc1,HLEWDKDMCMSMFE-UHFFFAOYSA-N
-rxn:4:213959:223525,Cc1ccc(CN2CCC(Oc3ncc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)cc1,HPYFNPITFBDEEM-UHFFFAOYSA-N
-rxn:4:213981:225080,COC(=O)C1CCc2cc(-c3nccc(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)ccc2O1,VKTYANDRNICQHU-UHFFFAOYSA-N
-rxn:4:213991:226492,COCCOc1ccc(Cl)c(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)c1,XYYRFHAHPSPQQW-UHFFFAOYSA-N
-rxn:4:214028:222833,CC(C)CCC(=O)Nc1cccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,XJEVJIKAWAPFHX-UHFFFAOYSA-N
-rxn:4:214033:222639,CC(C)[C@H]1COC(c2cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,OMNRCMONOLFZJN-AFWDCEBSSA-N
-rxn:4:214033:224016,CC(C)[C@H]1COC(c2cc(-c3cn(S(=O)(=O)N(C)C)nc3-c3ccccn3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,AQBAXQDFLYSGOY-DNQXCXABSA-N
-rxn:4:214052:223533,Cc1c(C(=O)N2CCC(N(C)c3ccccn3)CC2)cccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,ZAWCDJWOEJURFA-UHFFFAOYSA-N
-rxn:4:214064:222944,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cc2N2CCOCC2)CC1,ZOOIHIVHLRWIEA-UHFFFAOYSA-N
-rxn:4:214080:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)cc2)cc1,ZGXKZMXHCXWZIW-UHFFFAOYSA-N
-rxn:4:214153:225215,CC1CCN(c2nccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)c2Cl)CC1,IBECEWWQNYCDCO-MRXNPFEDSA-N
-rxn:4:214220:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)c1,SOGDTIOARVNMBN-UHFFFAOYSA-N
-rxn:4:214231:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc3nc(C4CN(C(=O)OC(C)(C)C)CCO4)cn23)c1,CORRCWAWOCCXGP-UHFFFAOYSA-N
-rxn:4:214366:222706,O=C(CCc1ccccc1-c1cc(C2CCNCC2)ccc1C(F)(F)F)N1C2CCC1c1cncnc1C2,FCKBFBZLRBHTLP-UHFFFAOYSA-N
-rxn:4:214379:227332,CC(C)Oc1ccc(Cl)cc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)o1,OBQCNWUOHKDUAE-UHFFFAOYSA-N
-rxn:4:214389:223218,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3ccc4c(c3C)NCCO4)cc12,FHTPCZARSPBQAJ-UHFFFAOYSA-N
-rxn:4:214631:222585,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,OZDIAWZOTLGHTL-UHFFFAOYSA-N
-rxn:4:214632:223481,COC(=O)C1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cn2)CC1,PVHQQGJJJBBEHF-UHFFFAOYSA-N
-rxn:4:214705:222723,CS(=O)(=O)N1CCC(Cc2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,QUHCBZSXQUQMNR-UHFFFAOYSA-N
-rxn:4:214711:224761,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)CC1,BNHLXJHLMPLMAX-UHFFFAOYSA-N
-rxn:4:214745:224829,COC(=O)c1ccc(-c2ccc(C#N)c(N3CCC(N(C)C)CC3)c2)cc1OC(F)(F)F,QAAMVVWUKJSNBU-UHFFFAOYSA-N
-rxn:4:214802:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c2)CC1,XPMZJIKHSOJLKS-UHFFFAOYSA-N
-rxn:4:214820:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,PYFAJQUDQFGFSQ-UHFFFAOYSA-N
-rxn:4:214839:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)cn2)CC1,QPONIGRXYGOFMB-UHFFFAOYSA-N
-rxn:4:214839:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,IDELUBKYDUANHB-UHFFFAOYSA-N
-rxn:4:214884:226844,O=C(C1CCN(c2ncc(Cl)cc2-c2ccnc(C(=O)C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,JENYXHADPKBIIE-UHFFFAOYSA-N
-rxn:4:214888:224963,O=C(c1cncc(-c2cccc(COC3CCOCC3)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,ZNBBTHFOFOHSFF-UHFFFAOYSA-N
-rxn:4:214890:223785,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2Cl)CC1,QZRBHCVZJXFZKV-UHFFFAOYSA-N
-rxn:4:215096:224485,CC1c2cnc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)n2CCN1C(=O)OC(C)(C)C,UDUGRNXFTMPCGL-UHFFFAOYSA-N
-rxn:4:215097:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ncc3n2C(C)CN(C(=O)OC(C)(C)C)C3)cc1,YLHMBTLXXGLYRH-UHFFFAOYSA-N
-rxn:4:215214:223992,Cc1ccc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cc1S(=O)(=O)N1CCN(C)CC1,HNYRQBVTIBZRBS-UHFFFAOYSA-N
-rxn:4:215295:227072,COc1cc(C2CC2)ccc1-c1cnc2n1CCc1ccccc1C21CCN(C(=O)OC(C)(C)C)CC1,YGAROFYDSFVRLC-UHFFFAOYSA-N
-rxn:4:215304:222682,COc1cccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c1NC(=O)OC(C)(C)C,NJJJXESATHZJGV-UHFFFAOYSA-N
-rxn:4:215865:222674,CN1CCN(C(=O)c2ccc(F)c(-c3cccc(C(=O)NC4CCCCC4)c3F)n2)CC1,WUAGDQKPHZQGRP-UHFFFAOYSA-N
-rxn:4:215961:224817,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccccc2S(=O)(=O)N2CCOCC2)CC1,SPDGFSZZBNHLTL-UHFFFAOYSA-N
-rxn:4:215990:225808,CN1CCC(N2CCN(c3ccc(-c4cc(OC5CCCC5)ncc4F)cc3)CC2)CC1,SPPJXMOVMRKIBJ-UHFFFAOYSA-N
-rxn:4:216204:223813,COc1ccc2c(n1)c(-c1ccc(CN3CCC4(CC3)OCCO4)c(F)c1)nn2C1CCCCO1,FJXAOTOHPXWGCF-UHFFFAOYSA-N
-rxn:4:216210:223712,COc1ccc2c(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)nn(C3CCCCO3)c2n1,VOQDIWXUBQOWBV-UHFFFAOYSA-N
-rxn:4:216356:227236,CCOC(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,QAJAGZGMBTXZDU-UHFFFAOYSA-N
-rxn:4:217203:223889,Cc1cc(N2CCN(C)C(=O)C2)ncc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2,DFIHOBVJSIIGAM-UHFFFAOYSA-N
-rxn:4:217762:223482,O=S(=O)(c1cc(-c2ccc(F)c(-c3nc4ccncc4[nH]3)c2Cl)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,PSNDYPCUIZZXLA-UHFFFAOYSA-N
-rxn:4:217792:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2Cl)CC1,GIMMJXVVVZCKPP-UHFFFAOYSA-N
-rxn:4:218567:222541,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cn1,IIYDVGZGYSBUJV-UHFFFAOYSA-N
-rxn:4:218600:225123,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccncc3OCC3CCCCO3)cn2)CC1,BCABBHBHDQZPGA-UHFFFAOYSA-N
-rxn:4:218682:223106,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)C5)nc4Cl)cn3)C2)CC1,PCHLMBLLWQYADE-UHFFFAOYSA-N
-rxn:4:218718:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3c(C)nn4c(CC(=O)OC)c(C(=O)OC)nnc34)cc2)c1,IOGOZODOIGQPFZ-UHFFFAOYSA-N
-rxn:4:218766:225163,Cn1cc(CC(=O)N2CCC(COc3ncc(-c4ccccc4C(=O)N4CCOCC4)cn3)CC2)c2ccccc21,DZRPLGGWZZTVNF-UHFFFAOYSA-N
-rxn:4:218768:223027,CCCNC(=O)c1cc(F)cc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)c1,GLGGQODHRGCPMP-UHFFFAOYSA-N
-rxn:4:218775:225016,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(-c5cscn5)cc(C5CC5)c4)ccc32)CC1)N1CCCCCC1,DXXSODIZLAPTCY-UHFFFAOYSA-N
-rxn:4:218847:224167,COc1ncccc1C(=O)N1CCC(Oc2ncc(-c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cn2)C1,FOFZIKWKHLFHAP-UHFFFAOYSA-N
-rxn:4:218867:225043,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCCC4)c(F)c3)c2)no1,VHKUAUIFZWGOSC-UHFFFAOYSA-N
-rxn:4:218867:226141,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3OC3CCCC3)c2)no1,DMSQMDWORFQYQV-UHFFFAOYSA-N
-rxn:4:218867:226176,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccncc3C3CCCCC3)c2)no1,NRDXSSXAKWAJHN-UHFFFAOYSA-N
-rxn:4:218886:224819,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)C1,VOCHIFCOFRAMSQ-UHFFFAOYSA-N
-rxn:4:218965:226421,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(Cl)cc1N1CCCC1,ARDIXABCTCMWSU-UHFFFAOYSA-N
-rxn:4:218970:222634,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYICGTGPZCWPHW-UHFFFAOYSA-N
-rxn:4:218971:223945,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)s1,NABHJVPPOYWTAZ-UHFFFAOYSA-N
-rxn:4:218976:227611,O=C1C(N2CCC(Oc3ncc(-c4ccnn4C4CCCCO4)cn3)CC2)CCN1CC(F)(F)F,OACWBAYOFFRRAX-UHFFFAOYSA-N
-rxn:4:218977:225561,CC(C)(C)OC(=O)c1ccccc1-c1cnn(CC2CN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)c1,QOAGZWLLFFGUSE-UHFFFAOYSA-N
-rxn:4:218992:223421,CNC(C)c1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)s1,LKOPAEUTCZWFBU-UHFFFAOYSA-N
-rxn:4:219013:226098,CCCCOc1ccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1C,GKMSISJWTSJEOC-UHFFFAOYSA-N
-rxn:4:219051:223294,CN(c1cnc(-c2csc(N3CCNCC3)n2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,BVTBBAOQVNMWPB-UHFFFAOYSA-N
-rxn:4:219061:224179,CN1CCN(CCOc2ccc(-c3cnc(OC4CCCN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)nc3)cc2)CC1,AQKGKSMCAYLMGN-UHFFFAOYSA-N
-rxn:4:219119:223046,CC(=O)C(C)n1c(-c2ccc(F)c(C(=O)NC3CC3)c2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,QLDDIPGHMUYDAL-UHFFFAOYSA-N
-rxn:4:219127:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1ccnn1)C2,KIJCEWQJBMTTAN-UHFFFAOYSA-N
-rxn:4:219251:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccccc2C(=O)N2CC(Cn3cncn3)C2)C1,QAYWQIKWWKWSPI-UHFFFAOYSA-N
-rxn:4:219274:222538,FC(F)(F)c1ccnc(N2CC(Cn3cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)C2)c1,JDBRNTPXFOBRFT-UHFFFAOYSA-N
-rxn:4:219292:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(OC4CCN(C(=O)c5ccccn5)C4)nc3)c2)C1,IKVRIUZSDDXDIZ-UHFFFAOYSA-N
-rxn:4:219337:223699,Cc1nc(C)c(CN2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cn3)C2)s1,ODMMNMSFDYKTQN-UHFFFAOYSA-N
-rxn:4:219338:223971,CC1CCN(c2cc(-c3cnc(OC4CCN(C(=O)N(C)C)CC4)nc3)cc(C(F)(F)F)c2)CC1,KVBSUXXYZUSAIV-UHFFFAOYSA-N
-rxn:4:219354:222732,CN(C1CCN(c2ncc(-c3ccc(C(=O)NC4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,YILJLTAXUCUGMM-UHFFFAOYSA-N
-rxn:4:219451:223892,CN1CCN(CCCOc2ccc(-c3cn(C)nc3C(=O)N3CCCN(CC4CC4)CC3)cc2)CC1,RGUMZDUNLVKIHD-UHFFFAOYSA-N
-rxn:4:219502:223638,CN(c1ccccn1)C1CCN(C(=O)c2cncc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,MVUSGQSUGUUMAL-UHFFFAOYSA-N
-rxn:4:219562:226268,CCCOc1c(SC)cccc1-c1cncc(C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c1,PZNPYDOFMMHPBT-UHFFFAOYSA-N
-rxn:4:219619:223816,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3cc4c(Cl)ccnc4n3COCC[Si](C)(C)C)cc12,YGLZDNPITIRGDT-UHFFFAOYSA-N
-rxn:4:219673:222582,COc1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C(=O)N2C3CCC2CC(n2ccnn2)C3)c1,RYNDUDAINFDAMC-UHFFFAOYSA-N
-rxn:4:219706:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)CC1,JXCQGSDLNHYRDL-UHFFFAOYSA-N
-rxn:4:219876:223945,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,NGMXWNLUKLEIHV-UHFFFAOYSA-N
-rxn:4:219880:223103,CSc1ncc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)c(N2CCN(S(C)(=O)=O)CC2)n1,BMHSOJGRWUUUAI-UHFFFAOYSA-N
-rxn:4:219952:223490,Cc1cc(-n2nnc(C(=O)N3CCCC3)c2C)ccc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,TVLDWRONLJRKIS-UHFFFAOYSA-N
-rxn:4:220023:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3nn(C(=O)OC(C)(C)C)c4ncncc34)cn2)CC1,VOUVBSFAUQOYOY-UHFFFAOYSA-N
-rxn:4:220091:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C(=O)c6ccno6)CC5)sc4c3)ccc2C)CC1,XZLQXTQKMJXSMC-UHFFFAOYSA-N
-rxn:4:220162:225165,COc1cc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)ccc1N1CCOCC1,RDCNYWVZBVWCCS-UHFFFAOYSA-N
-rxn:4:220203:222465,COc1ccccc1N1CCN(c2ncnc3cc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)ccc23)CC1,RWQPCUWQEAOLHU-UHFFFAOYSA-N
-rxn:4:220268:222861,CCCCNC(=O)c1cc(-c2ccccc2C(=O)N2c3ccccc3N3C(c4c(C)c(C)cc(C)c4C)=NON23)ccc1F,FCRQZGBMAVYSFZ-UHFFFAOYSA-N
-rxn:4:221094:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnn(CC2CN(C(=O)Cn3cnc(C4CC4)cc3=O)C2)c1,CBNWERVQUVHPOO-UHFFFAOYSA-N
-rxn:4:221100:224885,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccccc3CN3CCC(C)CC3)cn2)CC1,SLIZHODOXZAKHL-UHFFFAOYSA-N
-rxn:4:221110:229078,COc1cncc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c1,JYLQEAJVGABVJS-UHFFFAOYSA-N
-rxn:4:221115:222869,CCOc1ccc(-c2ccc(F)c(C(=O)NCC(C)C)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,BJPJZJCIMPLPQW-UHFFFAOYSA-N
-rxn:4:221115:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,DWQHRSGETZQDMA-UHFFFAOYSA-N
-rxn:4:221156:224325,CCn1cc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)nc1C,XZWPFSRELNJFFK-UHFFFAOYSA-N
-rxn:4:221168:224125,Cn1cc(CN2CCCC(COc3ncc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cn3)C2)cn1,BJQRWFAVAAMWCO-UHFFFAOYSA-N
-rxn:4:221169:224819,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cn3)C2)cn1,OPVINOBERVPUMH-UHFFFAOYSA-N
-rxn:4:221180:224170,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCCC5)c(Cl)c4)cn3)CC2)nn1C,JSLSZSXEZLFRJG-UHFFFAOYSA-N
-rxn:4:221194:224325,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)cn1C,ODYXHDUIMOJMEE-UHFFFAOYSA-N
-rxn:4:221232:223768,CC(C)(C)OC(=O)n1cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)c2ccc(C#N)cc21,DLZFIEDNWLLYKG-UHFFFAOYSA-N
-rxn:4:221364:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Oc5ncc(CC)cn5)CC4)nc3)cc2)CC1,YYUCTTSEPPJXPZ-DIVCQZSQSA-N
-rxn:4:221373:222546,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,HIYROZNGPNNEJD-UHFFFAOYSA-N
-rxn:4:221411:224992,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccccc4CN4CCC(=O)CC4)c3)CC2)n(C2CC2)c1=O,FEOKJVRUNLCUNZ-UHFFFAOYSA-N
-rxn:4:221413:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cc1C,WPCPLZBZZQUVAB-UHFFFAOYSA-N
-rxn:4:221446:223169,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cnc(C5CCNCC5)nc4)cc3)CC2)n1,VVJZVQZREITTOG-UHFFFAOYSA-N
-rxn:4:221449:224819,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3)CC2)n1,VIYTUOINNCGJJH-UHFFFAOYSA-N
-rxn:4:221453:226844,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,AQFIHRDHSGVUAX-UHFFFAOYSA-N
-rxn:4:222001:222465,CSc1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(N(C)C2CN(c3cnccn3)C2)n1,IDJQWPWNUQZUEZ-UHFFFAOYSA-N
-rxn:4:222048:222648,Cc1cc(C)c(-c2ccc(C(=O)N3CCN(c4ccc(-n5nc(C)c(C)c5C)nn4)CC3)o2)cc1NC(=O)OC(C)(C)C,LDLZWDROHYYXFO-UHFFFAOYSA-N
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-rxn:4:222075:223712,COc1ccc(-c2cnn(CC3CN(c4nccn5nc(C6CC6)cc45)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,BTPTZNZEXKOZDM-UHFFFAOYSA-N
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-rxn:5:180662:223294:226769,COC(=O)C1=Cc2cc(-c3cc(C(=O)OC)cc(F)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,AXDZDNSYNYWKEX-UHFFFAOYSA-N
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-rxn:5:181630:223064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccc(C3CCNCC3)nc2F)cccc1C1OCCO1,VGAVQCVAYMYLGK-UHFFFAOYSA-N
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-rxn:5:181908:225633:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCCCCC3)nc2)cc1C1CCNCC1,SQVOIXDYQZHIGR-UHFFFAOYSA-N
-rxn:5:181908:225633:222988,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCCCCC3)nc2)cc(C2CCNCC2)n1,JQPRSMRHWLNDEV-UHFFFAOYSA-N
-rxn:5:181908:225655:222959,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cncc(N3CCC(C)CC3)c2)ccc1C1CCNCC1,UHSHTMSGCAULKR-UHFFFAOYSA-N
-rxn:5:181908:225985:226661,Cc1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C1OCCO1,QZGQRJMEBMNLBV-UHFFFAOYSA-N
-rxn:5:182010:226685:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cnc(C3CCOCC3)nc2)c1,ZSBYTLBTLOHMFX-UHFFFAOYSA-N
-rxn:5:182010:226686:225674,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C3CCCCC3)cc2F)ccc1C1CCOCC1,WYYIUDUOEJTUAF-UHFFFAOYSA-N
-rxn:5:182010:226686:225683,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCOC3)nc2C)ccc1C1CCOCC1,HDLOXZGGMJLYPJ-UHFFFAOYSA-N
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-rxn:5:188930:223135:223146,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1cccc(C2CNCCO2)c1,GOUXTZICUOBIEW-UHFFFAOYSA-N
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-rxn:5:188930:226649:225639,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)cc1-c1cccnc1N1CCC(C)CC1,HMRFPQMCMSEKHD-UHFFFAOYSA-N
-rxn:5:189001:227611:226654,COC(=O)C1(c2nc(-c3csc(N4CCC(C)CC4)n3)ccc2-c2ccnn2C2CCCCO2)CC1,RYXQNLLLEAAXQR-UHFFFAOYSA-N
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-rxn:5:190001:227684:223113,CC1(C)C(=O)Nc2ccc(-c3ccc(CC(=O)N4CCCCC4)cc3-c3cnn(CC4OCCO4)c3)cc21,NEKFQRAMCBXNNL-UHFFFAOYSA-N
-rxn:5:190097:222986:228194,Cc1cc(-c2ccc(-c3c(C)nn(C(C)C)c3C)c(CCN3CCCCC3)c2)cc(C2CCCNC2)n1,TZBBVYFTGFDTQA-UHFFFAOYSA-N
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-rxn:5:190194:225592:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(F)ccc2CN2CCCC2)ccc1OC,CQIKCTMPBSDHAR-UHFFFAOYSA-N
-rxn:5:190194:225870:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(F)cc(N3CCOCC3)c2)ccc1OC,XMGZTULQYCVBLU-UHFFFAOYSA-N
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-rxn:5:190194:228349:227390,COC1CCN(Cc2cccc(-c3cnn(C4CCOC4)c3)c2-c2ccnn2C2CCCCC2)CC1,AZWUWYIILNVEOF-UHFFFAOYSA-N
-rxn:5:190195:222417:223056,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCC(O)CC2)nc1,ZZCOWSNOQJWUBH-UHFFFAOYSA-N
-rxn:5:190196:223388:225821,CN(Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1-c1ccc(C2CC2)c(C(F)(F)F)c1)C1CCOCC1,AEHMUQFZBQDSAM-UHFFFAOYSA-N
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-rxn:5:190337:226782:227369,COC(=O)c1cc(F)c(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cc(F)ccc3OC3CC3)c2OC)cc1F,SCNQQMSCTYDVBG-UHFFFAOYSA-N
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-rxn:5:190742:226330:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)s3)c2c1-c1cnc(C2CCNCC2)cc1F,MVPUXKYZPNVNQN-UHFFFAOYSA-N
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-rxn:5:193972:226662:229055,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(C#N)c1,AXZKNTHTGNZTDS-UHFFFAOYSA-N
-rxn:5:193972:227203:227964,Cc1cc(-c2ccc3c(c2)OCCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(C2(C)CC2)c1,QKPBOKWTQGXZCS-UHFFFAOYSA-N
-rxn:5:193972:227807:227387,Cc1cc(-c2cccc3c2CCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,BVRASHGWQXFYOM-UHFFFAOYSA-N
-rxn:5:193972:228012:226366,Cc1cc(-c2cccc(F)c2C2CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,NJRFYKOHPLWGHE-UHFFFAOYSA-N
-rxn:5:193972:228503:226366,Cc1cc(-c2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,QSGFZSSELIONJG-UHFFFAOYSA-N
-rxn:5:193972:228503:226395,Cc1cc(-c2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,LEZXVXSEGLWXIW-UHFFFAOYSA-N
-rxn:5:193972:228504:226364,Cc1cc(-c2cccc3c2CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,SUGZGYDLDMAOMU-UHFFFAOYSA-N
-rxn:5:193972:228504:226366,Cc1cc(-c2cccc3c2CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,VXARDIDAEGSLMS-UHFFFAOYSA-N
-rxn:5:193972:228581:226366,Cc1cc(-c2cccc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,NEUKMUUIDHYEHL-UHFFFAOYSA-N
-rxn:5:193972:228716:226181,Cc1cc(-c2cnc(C#N)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,CISTYCQUKUWECR-UHFFFAOYSA-N
-rxn:5:193972:228722:226181,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,XTASGMPCMXNCMQ-UHFFFAOYSA-N
-rxn:5:193972:228775:226366,COc1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,VQHXUNYBEDRGES-UHFFFAOYSA-N
-rxn:5:193972:228784:226366,COc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,RWTDJCKAHZBNQS-UHFFFAOYSA-N
-rxn:5:193972:228885:226164,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)cc1,PLHRSTHVLKHBGU-UHFFFAOYSA-N
-rxn:5:193972:228987:225633,Cc1cc(C)cc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,QIESEXZGAYVDBT-UHFFFAOYSA-N
-rxn:5:193972:228987:225656,Cc1cc(C)cc(-c2cc(C)c(-c3cncc(N4CCCCC4C)c3)cc2S(=O)(=O)N2CCCCCC2)c1,ZIDZJDIMLPJKQV-UHFFFAOYSA-N
-rxn:5:193972:228995:225456,CCc1cncc(-c2cc(C)c(-c3ccc(C4CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,GYLHGBXNOSNBJG-UHFFFAOYSA-N
-rxn:5:193972:229031:225633,Cc1ccc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,FUOJXFDHLVAGEN-UHFFFAOYSA-N
-rxn:5:193972:229055:225633,Cc1cc(-c2cncc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,CPUXRAUEBWQFCH-UHFFFAOYSA-N
-rxn:5:194575:225849:225985,O=S1(=O)CCCN1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cnc(N4CCCCC4)cc2F)C3)c1,MSESIWBSEFHQGN-UHFFFAOYSA-N
-rxn:5:194575:226366:225985,O=S1(=O)CCCN1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccnc(N4CCCCC4)c2)C3)c1,TWVYLTURPLQAIP-UHFFFAOYSA-N
-rxn:5:194575:226366:225986,O=S1(=O)CCCN1c1ccccc1-c1cc2c(s1)CCN(S(=O)(=O)c1ccccc1-c1ccnc(N3CCCCC3)c1)C2,PBZORLOKNWBALZ-UHFFFAOYSA-N
-rxn:5:194575:226366:225987,O=S1(=O)CCCN1c1ccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccnc(N4CCCCC4)c2)C3)cc1,QKEQNFDKAIOYSF-UHFFFAOYSA-N
-rxn:5:194575:226395:225985,O=S1(=O)CCCN1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cncc(N4CCCCC4)c2)C3)c1,DFBMHAWXOYRTAO-UHFFFAOYSA-N
-rxn:5:194575:226664:225985,O=S1(=O)CCCN1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cc(N4CCCC4)ncc2F)C3)c1,ZCXABKDVDDKKFO-UHFFFAOYSA-N
-rxn:5:194575:226664:225986,O=S1(=O)CCCN1c1ccccc1-c1cc2c(s1)CCN(S(=O)(=O)c1ccccc1-c1cc(N3CCCC3)ncc1F)C2,YDLNQDSWNMMSHQ-UHFFFAOYSA-N
-rxn:5:194575:226664:225987,O=S1(=O)CCCN1c1ccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cc(N4CCCC4)ncc2F)C3)cc1,CSLSSBOJYZTOBR-UHFFFAOYSA-N
-rxn:5:194767:222959:228589,Cc1cc(-c2ccc(-c3ccc(C(C)C)nc3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)ccc1C1CCNCC1,CGHRCXNQXXOMEV-UHFFFAOYSA-N
-rxn:5:196198:226189:222960,Cc1cc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(C3CCCC3)c(F)c2)cc(C2CCNCC2)c1,SBLPXBMHXPUDPF-UHFFFAOYSA-N
-rxn:5:196618:225924:225639,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2cccnc2N2CCC(C)CC2)c(N2CCCC2=O)c1,BVALWUMCQRWFKF-UHFFFAOYSA-N
-rxn:5:196618:225925:223064,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)c(N2CCCC2=O)c1,AGJCOWMBZJKQKU-UHFFFAOYSA-N
-rxn:5:196618:225925:225633,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccc(N3CCCCCC3)nc2)c(N2CCCC2=O)c1,CJMWIOIXKUKNRL-UHFFFAOYSA-N
-rxn:5:196789:223061:226583,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(CN2CCOCC2)s1,LTOMNDVNQMXEAJ-UHFFFAOYSA-N
-rxn:5:196859:222988:222998,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2cc(F)cc(C3CCCNC3)c2)cc(C2CCNCC2)n1,JYDYSUQXYXALEQ-UHFFFAOYSA-N
-rxn:5:196859:222996:226652,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(F)cc2C2CCCNC2)n(C2CCCCO2)n1,WUYSWTJLVQQFJA-UHFFFAOYSA-N
-rxn:5:196870:223135:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2C2CCCNC2)cc(N2CCOCC2)c1,OYQGNBRMSJBQNX-UHFFFAOYSA-N
-rxn:5:196917:225926:226366,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,DKWDGLYQJLDFTJ-UHFFFAOYSA-N
-rxn:5:196917:225986:223132,CC1(C)COC(c2cc(-c3cccc(N4CCNCC4)c3)ccc2-c2ccccc2N2CCCS2(=O)=O)=N1,IYOIQOFRHLSPAG-UHFFFAOYSA-N
-rxn:5:196917:226366:225926,CC1(C)COC(c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2-c2ccnc(N3CCCCC3)c2)=N1,YPDCVMFJKURPMY-UHFFFAOYSA-N
-rxn:5:196919:223132:225986,CC1(C)COC(c2ccc(-c3cccc(N4CCNCC4)c3)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,ZRYHCZPOOCGHBR-UHFFFAOYSA-N
-rxn:5:196919:226794:225926,CC1(C)COC(c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,AEJWSOMRLFOYOF-UHFFFAOYSA-N
-rxn:5:196922:222989:226738,CC(=O)c1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3C)cc(N3CCCCC3=O)c2)c([N+](=O)[O-])c1,XVWYNFMYDPQXTH-UHFFFAOYSA-N
-rxn:5:196970:226447:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccnc(C2CCOCC2)c1,JRFVERHCLIBCPQ-UHFFFAOYSA-N
-rxn:5:196971:226652:223007,Cc1cc(-c2cc(-c3cc(F)cc(C4CCNCC4)c3)c(C3CCCCC3)cn2)n(C2CCCCO2)n1,YAWRZDKYVHSSFM-UHFFFAOYSA-N
-rxn:5:196971:226686:223004,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)c(F)c2)c(C2CCCCC2)cn1,XQRVSKWGBWZLLL-UHFFFAOYSA-N
-rxn:5:196971:227390:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnn2C2CCCCC2)ncc1C1CCCCC1,ULBWSPKEELASPT-UHFFFAOYSA-N
-rxn:5:196977:225441:225926,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCC2)cc1,QYFOEUXGZATSAZ-UHFFFAOYSA-N
-rxn:5:196977:225655:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(N2CCCCC2)ccc1-c1cncc(N2CCC(C)CC2)c1,JAIFFELDUTWHLI-UHFFFAOYSA-N
-rxn:5:196977:225926:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,ZXZQSFJYUKNQHN-UHFFFAOYSA-N
-rxn:5:196977:226174:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1ccc(C2CCCCC2)nc1,OEFGHZJLUCIPAU-UHFFFAOYSA-N
-rxn:5:196978:225441:225926,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(N2CCCCC2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,VFNZRIFMZQELFQ-UHFFFAOYSA-N
-rxn:5:196978:225636:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)ccc1N1CCCCC1,QYPXFIJTTOGHHX-UHFFFAOYSA-N
-rxn:5:196979:225441:225926,CC(C)(C)c1ncc(C2CC2)cc1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(N2CCCCC2)c1,PCZYPCFXZMYGQH-UHFFFAOYSA-N
-rxn:5:199129:225672:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)nc(C3CCCCC3)c2)cc2c1OCCN=C2,KHUUTSKHNVCZFH-UHFFFAOYSA-N
-rxn:5:225456:193866:228504,CN1CCC(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3cccc4c3CCC4)cc2)CC1,PXDKXBWSRICSQQ-UHFFFAOYSA-N
-rxn:5:225465:193972:228995,CCc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(C4CCN(C)CC4)c3)cc2C)c1,FPYVPOUODKPDTG-UHFFFAOYSA-N
-rxn:5:225636:181908:222985,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCNC3)nc2C)cc1C1OCCO1,AEBSOLGQVNXGJP-UHFFFAOYSA-N
-rxn:5:225677:181630:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccc(C3CCCCC3)nc2F)cccc1C1OCCO1,KEFISCGYFMCRGH-UHFFFAOYSA-N
-rxn:5:225784:181908:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(CN3CCOCC3)nc2)cc(C2CCCNC2)c1,NCXYURZMUGLRGX-UHFFFAOYSA-N
-rxn:5:225821:189211:223388,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CC3)c(C(F)(F)F)c2)c1-c1ccc(S(=O)(=O)O)cc1,TXJFFNFGMJWNEZ-UHFFFAOYSA-N
-rxn:5:225821:190196:223388,CN(Cc1ccc(-c2ccc(C3CC3)c(C(F)(F)F)c2)cc1-c1ccc(S(=O)(=O)O)cc1)C1CCOCC1,GIGAMLIXPAAPNN-UHFFFAOYSA-N
-rxn:5:225832:182012:226366,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(N3CCCCC3)c2)c(C2CCCOC2)c1,UUXMDBLDHFAYNT-UHFFFAOYSA-N
-rxn:5:225832:196670:226428,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2cc(N3CCCCC3C)cs2)c1C1CCCC1,UJMKLWFMRLFJCH-UHFFFAOYSA-N
-rxn:5:225871:178314:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1O[Si](C)(C)C(C)(C)C,WFKADPCHHXVOGY-UHFFFAOYSA-N
-rxn:5:225880:196858:222986,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(C3CCOCC3)ncc2F)cc(C2CCCNC2)n1,ZAAVWFXJEHMMPQ-UHFFFAOYSA-N
-rxn:5:225886:193869:226794,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCSCC2)nc1,NHWZHBGTUJWRKP-UHFFFAOYSA-N
-rxn:5:225886:193972:227491,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(OC2CCC2)nc1,YFGKYGINRAPOMZ-UHFFFAOYSA-N
-rxn:5:225926:196977:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,ZXZQSFJYUKNQHN-UHFFFAOYSA-N
-rxn:5:225985:189407:225633,CN(Cc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccc(N3CCCCCC3)nc2)c1)C1CC1,XLHDHLLXTRKPTM-UHFFFAOYSA-N
-rxn:5:226059:178295:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,GGVHRMLYOOFPEZ-UHFFFAOYSA-N
-rxn:5:226062:178295:228595,CCc1ncc(C)cc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,XTDUVQUITCPAST-UHFFFAOYSA-N
-rxn:5:226070:178295:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,VPPINTCSUPUPRS-UHFFFAOYSA-N
-rxn:5:226140:178295:228624,COC(=O)C1(c2cc(-c3ccc(C)c(SC)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,STIGSEUCCPGSOB-UHFFFAOYSA-N
-rxn:5:226174:196970:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(C2CCCCC2)nc1,KHCSGIDPKAIRRU-UHFFFAOYSA-N
-rxn:5:226177:180421:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccnc(C2CCCCC2)c1,OVTHTEFGWXLYBD-UHFFFAOYSA-N
-rxn:5:226181:193869:227868,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)OCCC2,RDHYUQPBYUTBJR-UHFFFAOYSA-N
-rxn:5:226181:193870:227867,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2OCCC3)cc1-c1ccc(C2=CCCCC2)nc1,MDRQUUJVVYVPFS-UHFFFAOYSA-N
-rxn:5:226181:193972:228716,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(C)c1,JNTPUIHCXUVNPE-UHFFFAOYSA-N
-rxn:5:226182:180022:225636,COc1c(-c2ccnc(N3CCC(C)CC3)c2)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,PHBSVWJKDOWJIG-UHFFFAOYSA-N
-rxn:5:226182:180022:225881,COc1c(-c2ccc(C3CCOCC3)nc2F)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,JTZBLCQGACYHNT-UHFFFAOYSA-N
-rxn:5:226211:178295:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,PMGWPDKKHANYMO-UHFFFAOYSA-N
-rxn:5:226211:178295:228616,COC(=O)C1(c2cc(-c3ccc(SC)cc3C)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,MSHMXPGVALEVMM-UHFFFAOYSA-N
-rxn:5:226334:177736:223018,Cc1cc(C(=O)N(C)C)cc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,CQGQUAZBSLFRQZ-UHFFFAOYSA-N
-rxn:5:226366:193972:228504,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc2c1CCC2,WFHZQPHZLMGBMS-UHFFFAOYSA-N
-rxn:5:226366:193972:228625,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(F)c1,MMWQCQMVUXGWBB-UHFFFAOYSA-N
-rxn:5:226374:180421:222959,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2cncnc2C2CCCCC2)ccc1C1CCNCC1,RSXAECSEPWTAOG-UHFFFAOYSA-N
-rxn:5:226447:196859:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccnc(C2CCOCC2)c1,JIQKDQZSEGUSJH-UHFFFAOYSA-N
-rxn:5:226463:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cccc3c2cnn3C(C)=O)CCC(=O)CC1,FAJKSSNUTUYNCC-UHFFFAOYSA-N
-rxn:5:226580:178295:228515,CCc1cccc(C)c1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WOZQOTPJPUDCIX-UHFFFAOYSA-N
-rxn:5:226589:189673:223018,CC(C)c1cnc(C(F)F)cc1-c1ccc(/C=N/S(=O)C(C)(C)C)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,FBSLTCJMAGYUSV-PUHLOBNQSA-N
-rxn:5:226662:177190:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2ccc(N3CCN(C)CC3)s2)c1,XGIXMMHDTCBXMV-UHFFFAOYSA-N
-rxn:5:226686:196858:222994,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1cccc(N2CCC(O)CC2)c1,CZXKJQPGAVOCKC-UHFFFAOYSA-N
-rxn:5:226686:196970:222998,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1cc(F)cc(C2CCCNC2)c1,UGGXQSYFVWCARF-UHFFFAOYSA-N
-rxn:5:226686:196979:223064,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,AIPRXGXNMJQJMV-UHFFFAOYSA-N
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-rxn:5:228784:193972:226366,COc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,RWTDJCKAHZBNQS-UHFFFAOYSA-N
-rxn:5:228987:193972:225633,Cc1cc(C)cc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,QIESEXZGAYVDBT-UHFFFAOYSA-N
-rxn:5:228991:178295:226769,CCCc1sccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,MQTAAFKRXUXJGS-UHFFFAOYSA-N
-rxn:5:228995:193972:225456,CCc1cncc(-c2cc(C)c(-c3ccc(C4CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,GYLHGBXNOSNBJG-UHFFFAOYSA-N
-rxn:5:229087:178295:226580,COC(=O)C1(c2cc(-c3cc(C(=O)N(C)C)ccc3F)ccc2-c2sccc2C(C)=O)CCC(=O)CC1,HPGLZKOIITVKCX-UHFFFAOYSA-N
-rxn:4:173280:225171,Fc1cc(CN2CCOCC2)cc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2OC(F)(F)F)c1,QTADYKUFVMRWGJ-UHFFFAOYSA-N
-rxn:4:173331:222582,COCC(Oc1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(F)c1)C(=O)OC,DJVAQKMZVIJVER-UHFFFAOYSA-N
-rxn:4:173421:224326,COCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)cc1C(C)(F)F,GDLYUHBZXCWGDI-UHFFFAOYSA-N
-rxn:4:173445:223699,CC(C)(C)OC(=O)c1ccc(OCC(F)F)c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1,CDWLRCINZPMXGD-UHFFFAOYSA-N
-rxn:4:173508:224991,COc1cc(-c2cc(C3CC3)nc(N3CCCC3)c2)ccc1OCCOC1CCCCO1,NYHMIAVCTFQFJK-UHFFFAOYSA-N
-rxn:4:173518:222389,CCOc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)Oc1cccc(C(C)=O)c1,BEQXUXXWQVQEOY-UHFFFAOYSA-N
-rxn:4:173593:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)c(F)c1,NVXAIQKRNGJFHE-UHFFFAOYSA-N
-rxn:4:173593:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1,MYZZZYZXUPHLEO-UHFFFAOYSA-N
-rxn:4:173650:222904,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(NC(=O)OC(C)(C)C)nc3)c1)C2=O,ZZRHMUUTLVOLKH-UHFFFAOYSA-N
-rxn:4:173650:225431,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(C)(C)C)ccc3OCC)c1)C2=O,YXGGBHIEUNGXNK-UHFFFAOYSA-N
-rxn:4:173656:225743,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(CC(=O)OC)ccc3OC)cc1)C2=O,DNCUCVKBRHGXAC-UHFFFAOYSA-N
-rxn:4:173673:223733,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cc(-c3cccc(OCc4ccc(C(C)(C)C)cc4)c3)ccc1OC)C2=O,UJNPMVKYJUPOOT-UHFFFAOYSA-N
-rxn:4:173675:223093,Cc1oc2cc(-c3cncc(NS(=O)(=O)C(C)C)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,YDPPDXRIZZROAK-UHFFFAOYSA-N
-rxn:4:173802:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2F)CC1,BDBQAGISOWWAAV-UHFFFAOYSA-N
-rxn:4:173808:226232,CN(C)CCOc1cccc(-c2cccc(C(F)(F)F)c2OC(C(F)(F)F)C(F)(F)F)c1,ADIKWPKWPOGOJI-UHFFFAOYSA-N
-rxn:4:173839:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)CC(=O)OC)cc3)c(F)c2)CC1,QVJYXTDCMSKBCR-AQYVVDRMSA-N
-rxn:4:173869:224414,CCOC(=O)CC(=O)c1cc(F)c(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1F,AYHWPZJZLSPYRT-UHFFFAOYSA-N
-rxn:4:174061:222545,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1,UZQUVROPYWJIIA-UHFFFAOYSA-N
-rxn:4:174196:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1OCCC1OCCO1,WRFYEPWPTAPRGC-UHFFFAOYSA-N
-rxn:4:174305:222639,CCOC(=O)CC1CC(c2cccc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c2)C1,FKLOFLCVSAQWAJ-BHWOZTKKSA-N
-rxn:4:174372:224734,COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2OCC2CC2)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,BAKFSCGFGPOZCQ-UHFFFAOYSA-N
-rxn:4:174406:224649,COC(=O)C1(c2ccc(-c3cc(F)ccc3OCC3CCCCO3)cc2)CC(OC)(OC)C1,LUBVPDBSSIETHL-UHFFFAOYSA-N
-rxn:4:174406:225008,COC(=O)C1(c2ccc(-c3ccc(N4CCC(OC)CC4)cc3)cc2)CC(OC)(OC)C1,LXIBBWGZBLZNNS-UHFFFAOYSA-N
-rxn:4:174515:222748,CC(C)[Si](Oc1ccc(-c2cccc(C(=O)NCC3CCCO3)c2)cc1)(C(C)C)C(C)C,OVDWMFOHXGXZSX-UHFFFAOYSA-N
-rxn:4:174516:222635,CC(C)[Si](Oc1ccccc1-c1cccc([C@H](C)NC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,HELHXZONVOUJHD-QFIPXVFZSA-N
-rxn:4:174528:224842,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc2c(c1)C(C)(C)CCC2(C)C,JCGKXBWYWGOARO-UHFFFAOYSA-N
-rxn:4:174566:223697,COC(=O)C12CC(COc3ccc(C)cc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)(C1)C2,WRLBEQZMSZFGBM-UHFFFAOYSA-N
-rxn:4:174573:223929,COC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c1)C2=O,HQGYQEZCTRZLAF-UHFFFAOYSA-N
-rxn:4:174656:224488,CC(C)N(C(=O)c1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)cc1)C(C)C,QGFKQDXURUXIRK-UHFFFAOYSA-N
-rxn:4:174656:224720,CC(C)[Si](C#Cc1cccc2cccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c12)(C(C)C)C(C)C,VEBRRSDRBZJGGS-UHFFFAOYSA-N
-rxn:4:174657:227704,COc1ccc(-c2cc(C(F)F)ncc2OC)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,MXZMXJDTUUDFGL-UHFFFAOYSA-N
-rxn:4:174757:222929,OC1CCN(c2cc(-c3cc(OC(F)(F)C(F)(F)F)cc(C(F)(F)F)c3)cnc2Cl)CC1,TXEJBYAYRYLINC-UHFFFAOYSA-N
-rxn:4:175147:223608,CCCOc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c(F)c1SC,NZGWWZKGVVYQLQ-UHFFFAOYSA-N
-rxn:4:175165:223812,COC(=O)c1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c(OC)cc1OC,ARMYQOQQCSNLJW-UHFFFAOYSA-N
-rxn:4:175485:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(-c3cccc(OC(F)(F)F)c3)cc2C(F)(F)F)CC1,KDPRTYUPFZBMOJ-UHFFFAOYSA-N
-rxn:4:175786:223686,COC(=O)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)ccc1S(=O)(=O)c1ccccc1Cl,SJTZRIIIAGGBNL-UHFFFAOYSA-N
-rxn:4:175841:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(S(C)(=O)=O)c(OCc4ccccc4)c3)c2)CC1,DVCCEFFEUGXRHZ-UHFFFAOYSA-N
-rxn:4:176113:223787,Cc1cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(C(C)C)cc1OC(=O)c1ccccc1F,LNVVQFLNZUYCJE-UHFFFAOYSA-N
-rxn:4:176262:222779,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccncc3CNC(=O)OC(C)(C)C)c1)C2=O,MBDLNQBBZUGARR-UHFFFAOYSA-N
-rxn:4:176262:224420,Cc1cc2c(cc1-c1cccc(C=C3Oc4cc(OC(=O)C(C)C)ccc4C3=O)c1)C(C)(C)CCC2(C)C,SOQRNEWZPOAQPD-UHFFFAOYSA-N
-rxn:4:176322:224044,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(CCOCc3ccccc3)cc2)C(C)(C)CC1(CC)CC,ZFWAKSAOAMGBHA-UHFFFAOYSA-N
-rxn:4:176678:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)CC(F)F)cn2)CC1,GQMHPLVRJGRIOR-UHFFFAOYSA-N
-rxn:4:176929:223712,COC(=O)c1cc(F)c(F)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1OC,QANIXEGWIHHKDL-UHFFFAOYSA-N
-rxn:4:177364:223559,COC(=O)C1CC1c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,STFRPZFPEHUPTO-UHFFFAOYSA-N
-rxn:4:177386:223755,COC(=O)C1(c2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc2F)CC1,QOSZIFIVCULENC-UHFFFAOYSA-N
-rxn:4:177687:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(S(=O)(=O)Oc4c(F)c(F)c(F)c(F)c4F)c(Cl)c3)cnc21,MCRWNIFNXYXNOD-UHFFFAOYSA-N
-rxn:4:177748:222465,COc1cc(F)c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1OC1CCC1,ZXSJKAXVTKTKMT-UHFFFAOYSA-N
-rxn:4:177990:224007,COc1cc(OC)c(C2OCCO2)cc1-c1cc(OC(F)(F)F)cc(OCC(C)C)c1F,LMDCCMYSQGFAQB-UHFFFAOYSA-N
-rxn:4:178124:223812,COc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c(F)c1OC1CCCC1,HRVNOMXHXPUHTR-UHFFFAOYSA-N
-rxn:4:178216:223537,Cc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1-c1cc2cc(OC(F)(F)F)ccc2n1C(=O)OC(C)(C)C,DUBJPHFKUPELSW-UHFFFAOYSA-N
-rxn:4:178372:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CC3CC(C(C)(C)C)CCC3=O)cc2)cc1,FIIQIELTXIDMSM-UHFFFAOYSA-N
-rxn:4:178384:227441,Clc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1C1CCC1,MUBIUPOIVWYHDT-UHFFFAOYSA-N
-rxn:4:178384:227669,COc1c(F)c(C)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,YNYRDKFEQGYBAK-UHFFFAOYSA-N
-rxn:4:178384:228466,COC(=O)c1sc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,DSUWVZUZPIQDLT-UHFFFAOYSA-N
-rxn:4:178482:224061,CCCC1CCC(c2ccc(-c3cc4c(c(OC)c3)OCC(C(=O)OC)=C4)c(F)c2)CC1,ZMWCLUFDQXRZKL-UHFFFAOYSA-N
-rxn:4:178588:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc1,FUQQDWNJLTWADT-UHFFFAOYSA-N
-rxn:4:178597:225468,Cc1ccccc1-c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,PVBURNOSASPADM-UHFFFAOYSA-N
-rxn:4:178597:227110,Cc1cc(Cl)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1C1CC1,HCDSTONYQSZIOS-UHFFFAOYSA-N
-rxn:4:178598:223772,COc1ccc2cc(-c3cccc(C4OC5CCCCC5c5cc(OC)c(OC)cc54)c3)n(C(=O)OC(C)(C)C)c2c1,RDZRPBQPXSKROH-UHFFFAOYSA-N
-rxn:4:179642:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(S(C)(=O)=O)c(F)c(F)c3OC)ccc2OC)CC1,NJCWHSNDDXOHES-UHFFFAOYSA-N
-rxn:4:180318:223500,Cc1cc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1-c1ccccc1C(F)(F)F,CLQJRLQNANALNZ-UHFFFAOYSA-N
-rxn:4:180792:224588,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(CN4CCC(C)CC4)c3)cc1C2=O,LEPOUJKIHOXHKF-UHFFFAOYSA-N
-rxn:4:181236:223502,CC(=O)c1c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc(F)c1F,PJRLZBJAPUWHCW-UHFFFAOYSA-N
-rxn:4:181342:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(F)(F)F)c(C)c1,WDFBVWUXQPFKKL-UHFFFAOYSA-N
-rxn:4:181830:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4(C)CCO4)ccc3F)c(F)c2)CC1,HCBSDUVWHBUVBD-UHFFFAOYSA-N
-rxn:4:182249:223559,COC1COc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2C1=O,QHRSAFUQCPFLME-UHFFFAOYSA-N
-rxn:4:182359:224663,COC1CCC2(CC1)Oc1ccc(-c3ccc(CN4CCN(C)CC4)c(F)c3)cc1C2=O,KVQWUHDIVIRZTI-UHFFFAOYSA-N
-rxn:4:182368:225525,CCOC(=O)CCc1ccccc1-c1ccc2c(c1)C(=O)C1(CCC(C(F)(F)F)CC1)C2,DUXFETWSAHXWMW-UHFFFAOYSA-N
-rxn:4:182374:222811,CC(=O)c1cc2c(cc1-c1cc(Cl)nc(NC(=O)OC(C)(C)C)c1)C(C)(C)CCC2(C)C,FLLXCWNJKOXFME-UHFFFAOYSA-N
-rxn:4:182376:223923,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)cc3C2=O)C[C@@H]1C,SQKMQSCBQJIFHW-YJUKRBCESA-N
-rxn:4:182376:225052,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)cc(N5CCCCC5C)c4)cc3C2=O)C[C@@H]1C,NHQDOXRYRUSDET-VVIRAPSZSA-N
-rxn:4:182410:223978,Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)CC(c1ccc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)cc1)O2,OFPPPXGPLPSOLT-UHFFFAOYSA-N
-rxn:4:182967:223490,Cc1ccc(-c2cc(F)c(F)c3c2C(=O)CCO3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HAHCGWSFTPTAOP-UHFFFAOYSA-N
-rxn:4:183260:223712,COc1ccc(-c2ccc3c(c2)COC32CCCCC2)cc1C12CC3CC(CC(C3)C1)C2,LUHMEMUZIBGPFL-UHFFFAOYSA-N
-rxn:4:183271:224656,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c(F)c1OC1CCCC1,SWHYQWOXRTWCTJ-UHFFFAOYSA-N
-rxn:4:183273:227948,Cc1ncc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XRSQQMMQPAVWRK-UHFFFAOYSA-N
-rxn:4:183274:223185,c1cc2c(cc1-c1cnc(C3CNCCO3)nc1)OCCOCCOCCOCCOCCOCCOCCO2,IMEDCUMQJZNGFV-UHFFFAOYSA-N
-rxn:4:183440:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc4c5c(ccc6c5c3CCC6)CCC4)c(F)c2)CC1,SCWVWQQGRAZQFF-UHFFFAOYSA-N
-rxn:4:183486:224089,CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1-c1ccc(OCCN2CCC(C)CC2)cc1,IMRAWKPNLKEGEB-UHFFFAOYSA-N
-rxn:4:183573:223844,CCOC(=O)Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c(OC)cc1C#N,QNCIBEPYKDDERX-UHFFFAOYSA-N
-rxn:4:183668:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)s1,ZIGMGDXTEASXEC-UHFFFAOYSA-N
-rxn:4:183693:223786,COC(=O)C1CN(Cc2cc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)ccc2OC(F)(F)F)C1,QCKCQPFJLNMRDB-UHFFFAOYSA-N
-rxn:4:183772:227333,CC(C)Oc1ccc(Cl)c(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)c1,AXUUBABPMFPVDM-UHFFFAOYSA-N
-rxn:4:183772:227506,O=C(COc1cc(OC(F)(F)F)ccc1-c1cccc(/C=C/[N+](=O)[O-])c1)N1CCCC(F)(F)C1,FEEXDSRRPAVECV-JXMROGBWSA-N
-rxn:4:183834:226047,CC(C)(C)OC(=O)N(C1CC1)S(=O)(=O)c1ccccc1-c1ccc(OC(F)(F)F)c(F)c1F,PSXKRVLFQSQXQF-UHFFFAOYSA-N
-rxn:4:183864:222928,COC(=O)CN1CCCC(COc2cccc(-c3cnc(N4CCC(O)CC4)nc3C)c2)C1,KYARLKJZJZSLEA-UHFFFAOYSA-N
-rxn:4:183914:222616,CC1CCCN(CCOc2ccc(OC(F)(F)F)cc2-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)C1,QFKSSTGJRQFMJX-UHFFFAOYSA-N
-rxn:4:183928:223035,CC(c1ccc(-c2cccnc2NC(=O)C(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,VXPHPGHVVRFGHY-UHFFFAOYSA-N
-rxn:4:183934:224845,COC(=O)C1CCN(CCCc2ccccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1,ZETXBVALKLNRGU-UHFFFAOYSA-N
-rxn:4:183983:223602,Cc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1CN(C(=O)OC(C)(C)C)C(C)C,UNOJFPCNNOAIOV-UHFFFAOYSA-N
-rxn:4:183984:223036,Cc1cc(-c2ccc(NC(=O)C(C)(C)C)nc2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,ZEBUJKHOUMSFPD-UHFFFAOYSA-N
-rxn:4:183987:223646,COc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1C=NOC(=O)c1ccc(C(C)(C)C)cc1,GZKFIYUVJGUILE-UHFFFAOYSA-N
-rxn:4:184005:224603,COc1ccc(N(C(=O)c2ccc(-c3cccc4c3cnn4C3CCCCO3)cc2)C2C=CS(=O)(=O)C2)c(OC)c1,MBWRXGLNLYZWEZ-UHFFFAOYSA-N
-rxn:4:184025:224163,Cc1c(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc2c1cnn2C1CCCCO1,DZGBXEKXVJRBTA-UHFFFAOYSA-N
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-rxn:4:184062:227260,COCc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2C)ccc1OC,KBUGHKLORHIAEU-UHFFFAOYSA-N
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-rxn:4:184890:225907,CCCc1ncc(-c2ccc(C(F)(F)F)c(CN3CC(C(=O)OC)C3)c2)cc1C(F)(F)F,BNZPDCYMNZOJAN-UHFFFAOYSA-N
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-rxn:4:185062:227244,CCOc1ccc(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)cc1OC,CONDBGSYZQIGBS-UHFFFAOYSA-N
-rxn:4:185113:228418,COc1c(F)cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc1Cl,MGQUYPGAIDIIGK-UHFFFAOYSA-N
-rxn:4:185116:227077,CCC(C)c1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)c(F)c1,MTEPKTRPOFRHRR-UHFFFAOYSA-N
-rxn:4:185135:224424,CCCC1CCC(c2ccc(-c3ccc(Cl)c(CCN4CCC(C(=O)OC)CC4)c3)cc2)CC1,TZYBHUPXTXASRF-UHFFFAOYSA-N
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-rxn:4:185200:224501,COC(=O)c1ccc(-c2ccc(OCC3CCCCN3C)cc2)c(CN2CCC(OC)CC2)c1,KAECOFPIAOXHGT-UHFFFAOYSA-N
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-rxn:4:185242:223974,CCC(CC)C(=O)N1CCCC1c1ccc(-c2ccc(N3CCC(C)CC3)cc2C(F)(F)F)cc1,AXQMQRYFVHWHMC-UHFFFAOYSA-N
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-rxn:4:185322:226099,CCCCOc1ccc(C)c(-c2ccc(Cl)c(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,DIXXARFAWRPTRZ-UHFFFAOYSA-N
-rxn:4:185339:222924,Cc1ccc(-c2ccc(C(=O)OCc3ccccc3)c(N3CCC(F)(F)CC3)c2)cc1S(=O)(=O)NC(C)C,HKNIUHWVMOCEBX-UHFFFAOYSA-N
-rxn:4:185371:224286,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cc2)CC1,MRXLBTCXUNAQFD-UHFFFAOYSA-N
-rxn:4:185376:227682,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cc(C#N)cc([N+](=O)[O-])c2)C1,RDELWNIOCISSLC-UHFFFAOYSA-N
-rxn:4:185387:227052,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C(F)(F)F)CC1,QYMFXBNPBHOVRZ-UHFFFAOYSA-N
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-rxn:4:185437:222695,Cc1ccc(-c2ccc(F)cc2CN2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1S(=O)(=O)NC1CCCC1,IYTGCRPMJXLBCB-UHFFFAOYSA-N
-rxn:4:185487:223557,CCC(CC)n1ccc2c(C(=O)OC)cc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc21,VARBRRWJHQDZPC-UHFFFAOYSA-N
-rxn:4:185491:224060,CON=CC(C)C(=O)c1ccc2c(-c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)c(OC)ccc2c1,JLOGEXIENLOGEL-UHFFFAOYSA-N
-rxn:4:185542:224649,CN(CC1OCCc2ccc(-c3cc(F)ccc3OCC3CCCCO3)cc21)C(=O)OC(C)(C)C,JDXFFEDCRGMOAA-UHFFFAOYSA-N
-rxn:4:185697:223835,Cc1cc(F)c(-c2ccc(C#N)cc2OCC(F)(F)F)cc1S(=O)(=O)N1CCC(C)CC1,HJTSENWRLCVQPN-UHFFFAOYSA-N
-rxn:4:185788:223559,CCOC(=O)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nc1,FGSXTTLFOSSQPL-UHFFFAOYSA-N
-rxn:4:186195:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC4(C(=O)OC)CC4)cn3)c(F)c2)CC1,LSYJQYXMDGVBOB-UHFFFAOYSA-N
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-rxn:4:186714:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CC(C(=O)OC)C4)cc3F)c(F)c2)CC1,JPZBHUNQBNWFPK-UHFFFAOYSA-N
-rxn:4:186820:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cc(OC(F)(F)F)cc(C(=O)N2CCSCC2)c1,JNCUQRQCZILJGP-UHFFFAOYSA-N
-rxn:4:187007:223959,CCN1CCN(C(=O)c2cc(-c3cc(CN4CCC(F)(F)C4)cc(C(=O)OC)c3)ccc2Cl)CC1,LYJLSYLVXSSRCZ-UHFFFAOYSA-N
-rxn:4:187023:224182,Cc1cc(-c2cc(OC(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)ccc1OCCN1CCOCC1,SDAWDPLMPSSTDS-UHFFFAOYSA-N
-rxn:4:187090:224319,COC(=O)C1CC(C#N)(c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C)c2)CCC1=O,NYAIUVUDQVSCCP-UHFFFAOYSA-N
-rxn:4:187092:225514,FC1(F)CCN(Cc2ccc(OC(F)(F)F)c(-c3cccc4c3OCC3(CC3)CO4)c2)CC1,UKHSLZIRKPHSGK-UHFFFAOYSA-N
-rxn:4:187151:222938,O=C(NCC(F)(F)F)c1cccc(-c2cc(F)ccc2CC(=O)N2CCCC(C(F)(F)F)C2)c1,JIQNVHRCRKPWBD-UHFFFAOYSA-N
-rxn:4:187182:223659,COC(=O)C1CCN(Cc2ccc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,MTJQQTUEZFYGRT-UHFFFAOYSA-N
-rxn:4:187207:224691,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)ccc2Cl)C1,BLPITHKIILIXHK-UHFFFAOYSA-N
-rxn:4:187254:222454,O=C(Nc1ccccc1-c1cc(CCN2CCCC(C(F)(F)F)C2)ccc1F)c1cccc(C(F)(F)F)c1,UTGAUWZJDAEJKN-UHFFFAOYSA-N
-rxn:4:187271:227543,COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2CN2CCC(C(F)(F)F)CC2)ccc1F,BASNHFDWBXTTSG-UHFFFAOYSA-N
-rxn:4:187297:223997,COC1CCN(CCc2ccc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cc2)CC1,IMBBKBHXYRHPII-UHFFFAOYSA-N
-rxn:4:187331:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)c3cccc(CN4CC=CC4)c3)c2)CC1,DMTITFSMNKNISC-UHFFFAOYSA-N
-rxn:4:187353:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3coc([Si](C(C)C)(C(C)C)C(C)C)n3)cc21,QBBFNWFXGOZDCZ-UHFFFAOYSA-N
-rxn:4:187360:223659,COc1cc(CN(C)C2CCOCC2)ccc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,QZYVSHCGRCFXFS-UHFFFAOYSA-N
-rxn:4:187374:224618,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccnc(CO[Si](C)(C)C(C)(C)C)c3)c2)CC1,AQCXVLKZYNLEPW-UHFFFAOYSA-N
-rxn:4:187408:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(S(=O)(=O)CC(C)N2CCCCC2)cc1,PHXLDDDXRGJJGE-UHFFFAOYSA-N
-rxn:4:187433:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)cc3CN3CCCC(C)C3)cc2)CC1,JZKQTLSHOAFLNO-FMWDMEFWSA-N
-rxn:4:187447:225743,COC(=O)Cc1ccc(OC)c(-c2ccccc2CCC(=O)N2CCC3(CC2)CC3(F)F)c1,QLNWJBMXEIEFDM-UHFFFAOYSA-N
-rxn:4:187452:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)c4ccccc4CN4CCCC4)c3)cc2F)CC1,QNJZIJHWBKNLRY-UHFFFAOYSA-N
-rxn:4:187482:224963,CCOc1ccc(-c2cccc(COC3CCOCC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,UEZBGMGALYYRKF-UHFFFAOYSA-N
-rxn:4:187495:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1,UTIIJFFBSZKKNN-UHFFFAOYSA-N
-rxn:4:187507:226792,CC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(-c3cnc(N4CCOCC4)nc3)c2)C1,REKMCBRXDMLESM-UHFFFAOYSA-N
-rxn:4:187531:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(C(=O)c3ccccc3CN3CCSCC3)cc2F)c1F,GDINFKAQZGJUTL-UHFFFAOYSA-N
-rxn:4:187542:224886,COc1cc(-c2ccc(CN3CCC(C)CC3)cc2)cc(OC)c1CN1CCC(C)CC1,YIFKEZOPWVRTBO-UHFFFAOYSA-N
-rxn:4:187542:225197,COc1cc(-c2cc(F)c(OC3CCCC3)c(Cl)c2)cc(OC)c1CN1CCC(C)CC1,VSBHTOMSYUAMOG-UHFFFAOYSA-N
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-rxn:4:187551:222684,COc1cc(S(=O)(=O)N2CCCCC2C)c(OC)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,ODIMJOWCYBEQOO-UHFFFAOYSA-N
-rxn:4:187552:224885,CCOc1ccc(-c2ccccc2CN2CCC(C)CC2)cc1S(=O)(=O)N1CC(C)OC(C)C1,QKIZQXXSCMFVLL-UHFFFAOYSA-N
-rxn:4:187574:222852,CC(C)(C)OC(=O)N1CCC(c2ccccc2-c2cccc(CN3CCC(O)CC3)c2)CC1,VQSQMGLHQRNBSA-UHFFFAOYSA-N
-rxn:4:187575:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,KQYVJORCWKZQPJ-UHFFFAOYSA-N
-rxn:4:187576:224018,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)C1,MDAXSIIFZSMNMA-UHFFFAOYSA-N
-rxn:4:187587:225174,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(F)cc3CN3CCOCC3)cc2Cl)CC1,ZETKHMJAGDWZIM-UHFFFAOYSA-N
-rxn:4:187595:223737,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(C(c4ccccc4)N4CCCC4)cc3)c2)CC1,SHQMPKSKHOPWTC-UHFFFAOYSA-N
-rxn:4:187630:226844,O=C(CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(=C2CCC2)CC1,JVVSHXXODLIKAX-UHFFFAOYSA-N
-rxn:4:187655:224396,Cc1cc(-c2cc(CN(C)C3CCCC3)cc(C(C)(C)C)c2)ccc1S(=O)(=O)N1CCOCC1,UUMDYBYITUCXJK-UHFFFAOYSA-N
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-rxn:4:187691:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)c(F)c3)cn2)C1,IXRMPOIHZQUOPG-UHFFFAOYSA-N
-rxn:4:187693:225591,O=C(c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,PVTXFNKYGYUYRF-UHFFFAOYSA-N
-rxn:4:187765:223974,COC(=O)c1c(C(F)(F)F)nc2ccc(OC)cc2c1-c1ccc(N2CCC(C)CC2)cc1C(F)(F)F,XJCYQQCPMQSUBD-UHFFFAOYSA-N
-rxn:4:187916:222839,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(NCC2CCCCC2)nc1,SFCCUTVUWHUEQI-UHFFFAOYSA-N
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-rxn:4:202222:225318,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2c(F)cc(N3CCOCC3)cc2F)c1,WCGRPUFSLIUSKW-UHFFFAOYSA-N
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-rxn:4:202277:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)cc1,DDLBXNZQFZVELP-UHFFFAOYSA-N
-rxn:4:202277:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)c1,NKCTUEACCXZJPV-UHFFFAOYSA-N
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-rxn:4:202284:224885,COc1ccc(-c2ccccc2CN2CCC(C)CC2)cc1CN1CCC(N2CCCC2)CC1,CBAVUORJDZASRE-UHFFFAOYSA-N
-rxn:4:202285:223061,COC1CCN(Cc2ccc(-c3cc(C4CCNCC4)ncc3F)cc2N2CCCC2)CC1,QKERTCRQJVTKDM-UHFFFAOYSA-N
-rxn:4:202285:225007,COC1CCN(Cc2ccc(-c3cccc(CN4CCCCC4)c3F)cc2N2CCCC2)CC1,QKHACZBZSQBXND-UHFFFAOYSA-N
-rxn:4:202290:222804,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(NC5CCS(=O)(=O)CC5)cc4)cc3)CC2)C1,NARZCIJGDSGCMN-UHFFFAOYSA-N
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-rxn:4:202455:224199,CC(=O)N1CCN(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc([N+](=O)[O-])cc34)cc2)CC1,FFIULMZNNMOESD-UHFFFAOYSA-N
-rxn:4:202532:223542,CCOc1cccc2sc(=NC(=O)c3ccccc3-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)n(C)c12,YDRDTVLEIHNBIE-UHFFFAOYSA-N
-rxn:4:202601:223093,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,VVCLUQLDFRAYLH-UHFFFAOYSA-N
-rxn:4:202604:224350,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)cc1,UKCXOXLLFMVXNX-UHFFFAOYSA-N
-rxn:4:202618:224764,O=C(c1ccc(-c2ccc3oc(=O)c(C(=O)N4CCSC4c4ccc([N+](=O)[O-])cc4)cc3c2)c(F)c1)N1CCOCC1,FDJXVVGFEIFJOW-UHFFFAOYSA-N
-rxn:4:202661:225371,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3cnc(C(F)(F)F)c(C(=O)OC)c3)ccc21,RYYZWXKTXIEQSU-UHFFFAOYSA-N
-rxn:4:202663:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(ccn4CC(=O)N4CCOC(c5ccccc5)C4)c3)ccc2F)CC1,PSQDWYZCPYEVFC-UHFFFAOYSA-N
-rxn:4:202674:223883,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cnc21,ZMVKHQRQJUJXOX-UHFFFAOYSA-N
-rxn:4:202677:224161,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)ccnc21,FBVHQMZFKUMTRF-UHFFFAOYSA-N
-rxn:4:202701:222684,COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c(C(=O)N2CC(N3CCc4ccccc4C3)C2)c1,JCUYEMNSRKRVAX-UHFFFAOYSA-N
-rxn:4:202724:224462,O=C(c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1)N1CCCCC1,YRWGCWXPGYNUSK-UHFFFAOYSA-N
-rxn:4:202747:224063,COc1cc(-c2cc(C3CC3)cc(N3CCCC(C)C3)c2)cc2cc(C(=O)N3CCN(c4ccccc4C)CC3)c(=O)oc12,PDEJCFYJOWPSHB-UHFFFAOYSA-N
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-rxn:4:202820:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C=Nc4cc5c6c(c4)C(c4ccccc4)CCN6CCC5c4ccccc4)cc3)cn2)CC1,MBMVWLJNKMSEIJ-UHFFFAOYSA-N
-rxn:4:203545:223927,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)cc2cccnc21,JAJMXDPTCBLMNK-UHFFFAOYSA-N
-rxn:4:203693:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)c(N4CCCC(C(F)(F)F)C4)c3)cc2)CC1,CSQVBUVVWGAYKC-YYSPQECZSA-N
-rxn:4:203714:222465,Cn1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(OCC2CCCCC2)n1,WWIPZXGURTUBDN-UHFFFAOYSA-N
-rxn:4:203854:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nc(OC(C)(C)C)cc(C(C)(C)C)n3)cc21,MZVLHRSMUVGXQD-UHFFFAOYSA-N
-rxn:4:203858:223698,CCN1CCN(Cc2cccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)c2)CC1,JPKOXSJYCIDVNI-UHFFFAOYSA-N
-rxn:4:203881:224668,CCN1CCN(c2cc(F)cc(-c3cccc(CC4CCN(S(C)(=O)=O)CC4)n3)c2)CC1,WKTWOQSCQVMEAM-UHFFFAOYSA-N
-rxn:4:203895:224597,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CC3)cc(N3CCOCC3)c2)CC1,HTYLKECRRMJBDR-UHFFFAOYSA-N
-rxn:4:203914:225170,CN1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3CN3CCOCC3)c(C(F)(F)F)c2)CC1,TZGKVSXUNKANSB-UHFFFAOYSA-N
-rxn:4:203927:223815,CCN1CCN(c2cccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)c2OC)CC1,QTDNPIHHAAXAOP-UHFFFAOYSA-N
-rxn:4:203928:224656,COc1ccc(-c2cccc(CN3CCN(C4CC4)CC3)c2Cl)c(F)c1OC1CCCC1,ZTDGWYWUYWRNBZ-UHFFFAOYSA-N
-rxn:4:203930:223697,COc1cc(N2CCCCC2C)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1[N+](=O)[O-],DPTIEVQAJADTLG-UHFFFAOYSA-N
-rxn:4:203976:223154,CCNC(=O)c1cc(-c2cc(Cl)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)ccc1F,IYEAWONBRCFBBK-UHFFFAOYSA-N
-rxn:4:204025:222604,COc1ccc(-c2ccc(CN3CCN(C)CC3)c(S(C)(=O)=O)c2)cc1S(=O)(=O)NC1CCCC1,UAKTYBDECPCULE-UHFFFAOYSA-N
-rxn:4:204100:223077,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1)N1CCCN(C2CCC2)CC1,JNSJNWJNFMFRSX-UHFFFAOYSA-N
-rxn:4:204100:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cccc(C(=O)N4CCCN(C5CCC5)CC4)c3)c2)CC1,SINFYACWJBORLZ-UHFFFAOYSA-N
-rxn:4:204130:225313,CN1CCN(c2ccc(-c3ccc(C4=NC5(CCCC5)N(C(=O)c5ccc(F)cc5)C4=S)cc3)c(F)n2)CC1,HXMXENHXKZFCNU-UHFFFAOYSA-N
-rxn:4:204149:225975,CC1CCN(Cc2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2N2CCCC2)CC1,XGGSBBHHEBDFQI-UHFFFAOYSA-N
-rxn:4:204159:224991,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cc(C2CC2)nc(N2CCCC2)c1,VIOKJBMXCROVRG-UHFFFAOYSA-N
-rxn:4:204169:223140,CC1CN(Cc2ccc(-c3ccnc(C4CCCNC4)c3)cc2N2CCCCC2)CCO1,LTYAAGPTFWWLOY-UHFFFAOYSA-N
-rxn:4:204174:225827,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccnc(N5CCN(C)CC5)c4)cc3C)CC2)cc1Cl,SDTWQOPFNGEOPP-UHFFFAOYSA-N
-rxn:4:204174:225833,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccnc(N5CCCCC5)c4F)cc3C)CC2)cc1Cl,KDYSSBANCPCLBX-UHFFFAOYSA-N
-rxn:4:204174:225849,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCCC5)cc4F)cc3C)CC2)cc1Cl,LRKHVMQGGMIUGC-UHFFFAOYSA-N
-rxn:4:204174:225867,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(Cl)c(N5CCCCC5)c4)cc3C)CC2)cc1Cl,KRQQNVYZJFZZQK-UHFFFAOYSA-N
-rxn:4:204403:223951,COCn1ncc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)c1C12CCCC1O2,YWCYZNLCADYDNG-UHFFFAOYSA-N
-rxn:4:204454:223541,CC(C)(C)OC(=O)n1ccc2c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cncc21,RBBSYJDPPQXFOZ-UHFFFAOYSA-N
-rxn:4:204557:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)OCCN3C(=O)OC(C)(C)C)cc1,PGBMWUNDRHGATQ-UHFFFAOYSA-N
-rxn:4:204574:224598,COc1cc(N2CCC(C)CC2)ccc1-c1c(COC2CCCCO2)nn2c1CCC2,FYPOJQMPVIHUGI-UHFFFAOYSA-N
-rxn:4:204695:227965,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2c(C)ccnc2C(C)C)c1,PRZAXQIJMAFRAZ-UHFFFAOYSA-N
-rxn:4:204696:224011,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,CZLFKAWQNCVLNT-UHFFFAOYSA-N
-rxn:4:204722:224421,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1,ZZZRSBHUWBFOJL-UHFFFAOYSA-N
-rxn:4:204744:226303,CCCC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,CMWOWEICBTUQNL-UHFFFAOYSA-N
-rxn:4:204781:222558,COc1ccc(NC(=O)c2cccc(-c3ccccc3C(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)c2)cc1,DMVLEFJNSMUJDW-UHFFFAOYSA-N
-rxn:4:204804:222530,Cc1ccccc1CNC(=O)c1cccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c1,UHCNJTJZQHKAAU-UHFFFAOYSA-N
-rxn:4:204829:223166,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(N2CCNCC2)nc1,QXRMTSIESZQRJB-UHFFFAOYSA-N
-rxn:4:204853:224250,Cc1cccc(C)c1N1C(=O)N(Cc2cccc(-c3cc(C(=O)N4CCCCC4C)ccc3F)c2)c2ccccc2S1(=O)=O,IBWQISMBKJJSGB-UHFFFAOYSA-N
-rxn:4:204865:225653,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccc(N5CCCCC5C)nc4)c3)c3ccccc3S2(=O)=O)CC1,JXRPJLQSRJYWPP-UHFFFAOYSA-N
-rxn:4:204865:227056,COc1cccc(C2CC2)c1-c1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1,LDMQFNHGYOULCM-UHFFFAOYSA-N
-rxn:4:204955:226665,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCOC5)nc4)ccc2OC3C2CCCCC2)cc1,GJEAHFYPJACXBF-UHFFFAOYSA-N
-rxn:4:205871:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cncnc2CC2CCC2)CC1,BZDYPVMZLQAMQC-UHFFFAOYSA-N
-rxn:4:206694:224009,COc1ccc(-c2cccc(C3CCCN3S(C)(=O)=O)n2)cc1S(=O)(=O)N1CCOCC1,KDFHUURBWQTHRQ-UHFFFAOYSA-N
-rxn:4:206778:222465,CN1CCC(Oc2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)n2)CC1,RDPYPAALWUBDLY-UHFFFAOYSA-N
-rxn:4:206841:223959,CCN1CCN(C(=O)c2cc(-c3cccc(C(=O)N4CCN(C)CC4)c3)ccc2Cl)CC1,OIOVOPKOFPDMSH-UHFFFAOYSA-N
-rxn:4:207017:224688,Cc1cc(-c2ccc(CN3CCC(=O)CC3)c(Cl)c2)c(Cl)cc1C(=O)N1CCN(C)CC1,GCBQIIBAXCCUGT-UHFFFAOYSA-N
-rxn:4:207041:222538,CC(C)N1CCN(c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)CC1,UHMDCPMUVMMUER-UHFFFAOYSA-N
-rxn:4:207058:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c1F,IYTOLRUQTKEYJO-UHFFFAOYSA-N
-rxn:4:207064:224886,Cc1cc(-c2ccc(CN3CCC(C)CC3)cc2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,CFJGSNAABAKYKV-UHFFFAOYSA-N
-rxn:4:207080:224992,O=C1CCN(Cc2ccccc2-c2cncc(C(=O)N3CCC4(CC3)OCCCO4)c2)CC1,UQKJTTZBQUOHAC-UHFFFAOYSA-N
-rxn:4:207086:223054,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ZPYJOKSQFUZKKJ-UHFFFAOYSA-N
-rxn:4:207246:223500,COC(=O)c1cc(Cl)cc2[nH]nc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c12,YHNIYTLYRYMKEW-UHFFFAOYSA-N
-rxn:4:207730:223748,Cc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)ccc1N1C=C(C#N)S(=O)(=O)c2ccccc21,CAPKOIMTCYEUPT-UHFFFAOYSA-N
-rxn:4:207829:222772,O=C(NC1CCCC1)c1cc(-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)ccc1Cl,YTKJJLLCDMWAED-UHFFFAOYSA-N
-rxn:4:207843:224669,CCN1CCN(C2CCCc3cc(-c4ccc(CN5CCN(C)CC5)cc4F)ccc32)CC1,NRAPSQIZIRXMOU-UHFFFAOYSA-N
-rxn:4:207854:225294,CCN1CCN(c2ncc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cn2)CC1,KJHASKXQYGWIJU-UHFFFAOYSA-N
-rxn:4:207946:225677,COc1cc(-c2ccc(C3CCCCC3)nc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,FRALHLNDGWMJBE-UHFFFAOYSA-N
-rxn:4:207968:223508,O=C(c1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1)N1CCc2c3n(c4ccccc24)C(=O)CCC31,VALFUEPODGAYEW-UHFFFAOYSA-N
-rxn:4:208931:223490,Cc1ccc(-c2c(C)nc(S(C)(=O)=O)nc2Cl)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NJJJTVBBLCPSQG-UHFFFAOYSA-N
-rxn:4:209807:223562,C[C@@H]1CCCC[C@H]1n1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,UXGLSNWQWVDZBR-CJFMBICVSA-N
-rxn:4:211101:224609,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnccc4C(=O)N(C(C)C)C(C)C)ccc2OC32CCC(C)CC2)cc1,CVBNZNIMTNQPJV-UHFFFAOYSA-N
-rxn:4:212511:225233,CC1CCCN(c2cc(-c3cnn(CC4CN(C(=O)CCC(F)(F)F)C4)c3)cnc2Cl)C1,RIKLFHJXDYXZIS-UHFFFAOYSA-N
-rxn:4:212543:226427,COCC(=O)N1CCCC(COc2ncc(-c3cc(N4CCC(C)CC4)cs3)cn2)C1,YYTBROWMCNHSPC-UHFFFAOYSA-N
-rxn:4:212582:225470,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)cc3)cc2)CC1,KHUQAJOQFOJTEO-UHFFFAOYSA-N
-rxn:4:212606:225756,COC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)C)C3)nc2)c(C(C)C)cn1,VVWQVBIJCMBRLO-UHFFFAOYSA-N
-rxn:4:212607:226264,CCCCOc1ccc(-c2cnc(OC3CCN(C(=O)C(CC)CC)CC3)nc2)c(F)c1,GFNHFNCBBFXDDV-UHFFFAOYSA-N
-rxn:4:212620:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(F)ccc3CC(=O)N3CCC(COc4ncccn4)CC3)c2)CC1,KHZDTTPSARIXKZ-UHFFFAOYSA-N
-rxn:4:212631:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c1,YHJZCUONXGZHPZ-UHFFFAOYSA-N
-rxn:4:212631:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c1,DFMYGBUXIRCESH-UHFFFAOYSA-N
-rxn:4:212641:226844,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)o3)CC2)C1=O,KCYPOHUZPWEHSU-UHFFFAOYSA-N
-rxn:4:212650:226232,CN(C)CCOc1cccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,GZJYVHRBSRRWSS-UHFFFAOYSA-N
-rxn:4:212677:224830,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4cc(C(F)(F)F)nn4C4CCCCO4)cc3)CC2)nn1,BCTGHKAVJKWAGR-UHFFFAOYSA-N
-rxn:4:212693:226200,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc3c(c2)ncn3C(C)C)c1,TYSJOBXLWFOQRO-UHFFFAOYSA-N
-rxn:4:212740:228968,CSc1ncc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)n1,FQQMOARZFGDYKL-UHFFFAOYSA-N
-rxn:4:212749:224273,CC1CN(Cc2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,QILDHSVLTRYSEM-UHFFFAOYSA-N
-rxn:4:212749:226228,COCCCOc1ccccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCCC2)c1,NXPCSUKQPPTGLL-UHFFFAOYSA-N
-rxn:4:212751:227965,Cc1ccnc(C(C)C)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,MQOCXHIEGZQGGH-UHFFFAOYSA-N
-rxn:4:212828:226017,COc1ccc(-c2ccc(OC(F)(F)F)c(OC)c2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,JZXZQEPITNKXRA-UHFFFAOYSA-N
-rxn:4:212848:228470,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)nc3n2C(=O)OC(C)(C)C)C1,NOSCYJPUNUYEMA-UHFFFAOYSA-N
-rxn:4:212904:224403,Cc1cc(-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)cnc1C(=O)N(C)CCN(C)C,CYJDCRDALAYEKU-UHFFFAOYSA-N
-rxn:4:212917:222853,COC(=O)CN1CCC(Cn2cc(-c3ccc(CN4CCC(O)CC4)cc3)cn2)CC1,QMKJINUYFLYDFX-UHFFFAOYSA-N
-rxn:4:212917:225197,COC(=O)CN1CCC(Cn2cc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cn2)CC1,VEXPKUURTFPAJB-UHFFFAOYSA-N
-rxn:4:212920:224325,COCCN1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,KSPKXRPCGGNRNW-UHFFFAOYSA-N
-rxn:4:212967:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCN(C(=O)C3CC3)CC2)nc1,FTSNPIFOQKMMJG-UHFFFAOYSA-N
-rxn:4:212970:222468,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2cc(NC(=O)OC(C)(C)C)ccc2c1,DYAURYPSXKSWQA-UHFFFAOYSA-N
-rxn:4:212973:225126,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2cc(F)ccc2OCC2CCCO2)C1,YATDCCUWIAMPLP-UHFFFAOYSA-N
-rxn:4:212980:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(COc2ccc(F)cn2)C1,WKAIYGFVSHRLHD-UHFFFAOYSA-N
-rxn:4:212989:227467,COCCOc1cnccc1-c1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1,NYGLCHSQFGXHKN-UHFFFAOYSA-N
-rxn:4:213002:225877,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ccncc2-c2ccc(Cl)cc2N2CCOCC2)C1,REDSHKFKUVRAHC-UHFFFAOYSA-N
-rxn:4:213005:222634,COc1cnc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)CC2)nc1,XWVIUQFPPDFYOA-UHFFFAOYSA-N
-rxn:4:213031:222748,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCC4CCCO4)c3)cn2)C1,DBFWHBPPVZNDLV-UHFFFAOYSA-N
-rxn:4:213071:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccn(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,SKIWKGPZPOMMSJ-UHFFFAOYSA-N
-rxn:4:213095:223989,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)CC1,FCZXSPKCGQVXLQ-UHFFFAOYSA-N
-rxn:4:213129:228016,COc1nc(-c2cc(C3CCCC3)cs2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,AABMCUXWNQPAFH-UHFFFAOYSA-N
-rxn:4:213132:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,JDRJJWUCJYYBFR-UHFFFAOYSA-N
-rxn:4:213134:225770,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3c(F)cc(OCC4CC4)cc3F)cn2)CC1,FBQCOWXCIOFXJC-UHFFFAOYSA-N
-rxn:4:213138:222742,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cnc2F)CC1,RNHMSXWIYWWIDN-UHFFFAOYSA-N
-rxn:4:213177:224187,Cc1cccc(OCC2CCCN(C(=O)c3cncc(-c4ccc(OCCN5CCCCC5)cc4F)c3)C2)n1,XPTSRMBTFPQLGP-UHFFFAOYSA-N
-rxn:4:213201:222538,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCCC4)nc(C4CCNCC4)c3)CC2)ncn1,LYTSTBUVAAUNKD-UHFFFAOYSA-N
-rxn:4:213203:222819,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc3)CC2)nn1,YHEQTDVCTJRWDC-UHFFFAOYSA-N
-rxn:4:213204:224251,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)N4CCCC(C)C4)cc3F)C2)nc1,BLTJCSMPAVFCQG-UHFFFAOYSA-N
-rxn:4:213225:225300,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(OC4CCOCC4)nc3F)cc2)[nH]1,WYFOHJYLOLIIBS-QHCPKHFHSA-N
-rxn:4:213237:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc([C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)[nH]2)cc1,JASQXQZNCCIJEA-QFIPXVFZSA-N
-rxn:4:213239:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cncc(C(=O)N2CCN(C(=O)C3CC3c3ccc(F)cc3)CC2)c1,SUJDMVZNYNTZGM-UHFFFAOYSA-N
-rxn:4:213269:223787,COc1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,NTIRJUVCQODBRG-UHFFFAOYSA-N
-rxn:4:213269:225172,COc1ccc(-c2cc(CN3CCOCC3)ccc2F)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,STVJUYVYPOJMPW-UHFFFAOYSA-N
-rxn:4:213407:225176,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(CN6CCOCC6)c(Cl)c5)cc4s3)CC2)cc1,FNWDYPPQHLQWFR-UHFFFAOYSA-N
-rxn:4:213428:222837,CC(C)(C)NC(=O)Cc1cccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)c1,VZGPPHRAUGXPEL-LJAQVGFWSA-N
-rxn:4:213474:225173,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc(C(=O)N5CCCC5)cc4F)ccc2-3)[nH]1,KYDSUBYQFDGGMF-YTTGMZPUSA-N
-rxn:4:213480:225158,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCSCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ITZIWJPRJQVUOB-PCBPTNJRSA-N
-rxn:4:213555:222426,CCOC(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)nn1-c1ncccc1Cl,MUFCOZRQBNUSDD-UHFFFAOYSA-N
-rxn:4:213582:223844,O=S(=O)(c1ccc(-c2cnn(CC3CCN(CC(F)(F)F)C3)c2)c(C(F)(F)F)c1)N1CCCC1,MZXKLWDARSLWJF-UHFFFAOYSA-N
-rxn:4:213638:223992,Cc1ccc(-c2cnn(CC3CN(C(=O)C4CC(F)(F)C4)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,ZMZDEJDJCKFKND-UHFFFAOYSA-N
-rxn:4:213659:224485,CCOC(=O)C1CCCN(c2ncc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cn2)C1,VWXZYJSVLMFODB-UHFFFAOYSA-N
-rxn:4:213716:223867,CC1CCN(CCCOc2cccc(-c3cnn(C4CCN(C(=O)OC(C)C)CC4)c3)c2)CC1,SPYTZHXQQBWPAI-UHFFFAOYSA-N
-rxn:4:213815:223530,Cc1nccc(OC2CCN(C(=O)c3cccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)n1,PGFCCQNKWSYJIH-UHFFFAOYSA-N
-rxn:4:213828:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)CC1,NZUJMOKFFXURNX-UHFFFAOYSA-N
-rxn:4:213844:225984,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)C(=O)C1,CXALAEWPAYUZFB-UHFFFAOYSA-N
-rxn:4:213889:224170,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)ncn2)C1,DXTZLNIIAHFDSN-UHFFFAOYSA-N
-rxn:4:213894:223061,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CCNCC4)ncc3F)cn2)CC1,CWGXJCWETFYTTJ-UHFFFAOYSA-N
-rxn:4:213922:222696,O=C(c1cc(-c2cc(N3CCN(Cc4ccccc4)CC3)ccc2[N+](=O)[O-])ccc1F)N1CCC(O)CC1,RFZYUXSZWAUAAQ-UHFFFAOYSA-N
-rxn:4:213931:227964,CC1(c2cncc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2)CC1,VTTXVIQGBLVREH-UHFFFAOYSA-N
-rxn:4:213932:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,URCAPXPWZYRWBA-UHFFFAOYSA-N
-rxn:4:213933:224456,COCc1cccc(-c2cccc(-c3cc(C(F)(F)F)cnc3N3CCCN(S(=O)(=O)C4CC4)CC3)c2)c1,NVFGYMJJNFSSMO-UHFFFAOYSA-N
-rxn:4:213933:224768,O=C(c1c(F)cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)cc1F)N1CCCC1,KMZKXQXEOOJAGE-UHFFFAOYSA-N
-rxn:4:213945:223036,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2ccc(NC(=O)C(C)(C)C)nc2)c1,APPAJYKNGRZHAA-UHFFFAOYSA-N
-rxn:4:213954:224159,CC(C)(C)OC(=O)n1ccc2c(-c3cnccc3OC3CCN(C4CCN(C5CC5)C4=O)C3)cccc21,UJLNCKKSBMIGTD-UHFFFAOYSA-N
-rxn:4:213991:226371,Cc1cc(N2CCCC2)ncc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,ILWPNIRVFHOIGZ-UHFFFAOYSA-N
-rxn:4:213992:225522,CCCCOc1cc(OC)cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)c1,ZKHGSFZLOCBKQB-UHFFFAOYSA-N
-rxn:4:213998:223074,CC1CN(c2cncc(-c3cccc(NS(=O)(=O)C4CC4)c3)c2)CCN1C(=O)OC(C)(C)C,GIBXYTMIWKRPEE-UHFFFAOYSA-N
-rxn:4:213998:223075,CC1CN(c2cncc(-c3ccc(NS(=O)(=O)C4CC4)cc3)c2)CCN1C(=O)OC(C)(C)C,RSCIBPCWKJJEJH-UHFFFAOYSA-N
-rxn:4:214004:223660,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c(C(=O)N2CCC(c3ccn(C)n3)CC2)c1,ASYIULDOJWKBML-UHFFFAOYSA-N
-rxn:4:214024:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1cnc(OC2CCN(C(=O)C3CCC(F)(F)CC3)CC2)nc1,XIYGRBLWVDQAON-UHFFFAOYSA-N
-rxn:4:214033:223310,CC(C)[C@H]1COC(c2cc(-c3ccc(NC4CC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ALPBTSQEAYLZCN-DNQXCXABSA-N
-rxn:4:214033:227960,CC(C)[C@H]1COC(c2cc(-c3ccncc3C3CCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,YRCINGXDJFHVAE-DNQXCXABSA-N
-rxn:4:214036:223951,CN1CCN(CCOc2ccc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccc(N(C)C)cc5)C4)cc3)cc2F)CC1,WTRYQGTZHUUQOG-UHFFFAOYSA-N
-rxn:4:214050:224779,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc(-c3ccccc3C(F)(F)F)s2)cc1F,PMFNOIHYNIUWFZ-SJORKVTESA-N
-rxn:4:214051:224582,CC(C)c1sc(-c2cccc(N3CCN(C4CC4)CC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,AVZONASSMQABMB-UHFFFAOYSA-N
-rxn:4:214064:228695,CN(C)Cc1cc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cs1,ANAHJUAWRPIFKI-UHFFFAOYSA-N
-rxn:4:214070:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c(F)c1F,HRBGTNVSURRNAI-UHFFFAOYSA-N
-rxn:4:214071:226035,COc1ccc(C(F)(F)F)c(F)c1-c1cccc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1,VUSJQTCYDZPHIY-UHFFFAOYSA-N
-rxn:4:214082:224386,CC(C)N1CCN(Cc2ccc(-c3cnc(-c4cccc(C(F)(F)F)c4)nc3)cc2N2CCOCC2)CC1,OKDATMSHLNGUHY-UHFFFAOYSA-N
-rxn:4:214084:224197,CCN1CCN(Cc2ccc(-c3ccc(-c4nc(S(=O)(=O)N5CCCN(C)CC5)c(-c5ccc(Cl)cc5)o4)cc3)cc2F)CC1,BSIDFIRFKLLMQC-UHFFFAOYSA-N
-rxn:4:214125:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2nn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)CC1,RCEIPIKEFSHXJI-UHFFFAOYSA-N
-rxn:4:214153:222812,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)cnn2C1,JDRKAOGYQRLZSA-CQSZACIVSA-N
-rxn:4:214180:223771,COc1ccc2c(c1)cc(-c1ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c1)n2C(=O)OC(C)(C)C,YKFVLZKZQANIHA-UHFFFAOYSA-N
-rxn:4:214254:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc4c(cnn4[Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CC1,PVCZBAKTEKODOT-UHFFFAOYSA-N
-rxn:4:214277:225898,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4cnn(CCN5CCOCC5)c4)cc32)CC1,AZXOAPHJKWMHSF-UHFFFAOYSA-N
-rxn:4:214304:227791,CC(C)(C)OC(=O)N1CCc2c(c(-c3cnc(Cl)c(C(F)(F)F)c3)nn2C2CCOCC2)C1,YSZIWAXQBSVWRZ-UHFFFAOYSA-N
-rxn:4:214333:223122,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(-c3cccc(NC(=O)C(C)C)c3)ccc12,AJEQRSGAAUVPSU-UHFFFAOYSA-N
-rxn:4:214391:222747,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)NCC5CCCO5)cc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,UZAMKYPPULZLEB-UHFFFAOYSA-N
-rxn:4:214621:223532,Cc1nn(Cc2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)c(C)c1[N+](=O)[O-],IOOIMODYUROZMD-UHFFFAOYSA-N
-rxn:4:214638:225215,CC1CCN(c2nccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c([N+](=O)[O-])c3)c2Cl)CC1,ZPTOGMWDXCTTPT-UHFFFAOYSA-N
-rxn:4:214662:222845,CC(c1ccc(-c2c(C(=O)N3CCC(C(F)(F)F)CC3)cnn2C)cc1)N1CCNCC1,NQKHZOPHBDQLKO-UHFFFAOYSA-N
-rxn:4:214678:224325,CCN1CCN(C(=O)c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cnc2Cl)CC1,CWXRWYPJRWGCOD-UHFFFAOYSA-N
-rxn:4:214684:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cc(C(=O)N2CCN(C)CC2)cc([N+](=O)[O-])c1,MTEROWJDZHXHIP-UHFFFAOYSA-N
-rxn:4:214706:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(CC4CCCN(S(C)(=O)=O)C4)cn3)cn2)CC1,KFFUQOSUZDORAQ-UHFFFAOYSA-N
-rxn:4:214712:222631,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)cn1,NGCPSCBLWVFKDT-UHFFFAOYSA-N
-rxn:4:214753:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1cnc(C(=O)N2CCN(C(C)C)CC2)c(Cl)c1,IYTBUGMFMAJAOC-UHFFFAOYSA-N
-rxn:4:214820:223084,O=C(C1CN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3)cc2F)CCO1)N1CCCC1,RYUPGJXNXNGAFR-UHFFFAOYSA-N
-rxn:4:214855:222998,Fc1cc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc(C2CCCNC2)c1,PZPVVYUXZSCWPF-UHFFFAOYSA-N
-rxn:4:214862:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,DSFCZUJMJOFSQO-UHFFFAOYSA-N
-rxn:4:214868:224757,O=C(c1cc(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)c1)N1CCOCC1,OVKTZZGXJXCQRY-UHFFFAOYSA-N
-rxn:4:214872:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,PKDLTLASAYVGHI-UHFFFAOYSA-N
-rxn:4:214873:222965,CCCC(=O)NCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,ASVDIBSKDAIUBZ-UHFFFAOYSA-N
-rxn:4:214880:222634,Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,VCUZCDXDENYWOZ-UHFFFAOYSA-N
-rxn:4:214881:225885,CCCn1nnc2cc(-c3cccnc3N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(F)cc21,ZIWAYWIGUTWISH-UHFFFAOYSA-N
-rxn:4:214883:223666,O=C(C1CCN(c2ccncc2-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)CC1)N1CCC(F)(F)CC1,IELZFTXPPQPLHA-UHFFFAOYSA-N
-rxn:4:214883:224992,O=C1CCN(Cc2ccccc2-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)CC1,IZYUXOFTZGAUEN-UHFFFAOYSA-N
-rxn:4:214883:227596,O=C(C1CCN(c2ccncc2-c2cnc(N3CCCC3)nc2)CC1)N1CCC(F)(F)CC1,GBDVRWQHMRYOQI-UHFFFAOYSA-N
-rxn:4:215100:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,CSNCSDIZVJAAIE-UHFFFAOYSA-N
-rxn:4:215103:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cn2c(n1)CN(C(=O)OC(C)(C)C)CCC2,PEIHMOXDSHTYSX-UHFFFAOYSA-N
-rxn:4:215105:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2(C)C,WWYLYKSUZAITBJ-UHFFFAOYSA-N
-rxn:4:215148:224268,CC(C)(C)OC(=O)N1Cc2cnc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)n2CC1(C)C,NKMJJAYXBGQNSO-UHFFFAOYSA-N
-rxn:4:215184:223539,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,NUIVTHHCQXGJOR-UHFFFAOYSA-N
-rxn:4:215190:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3CN3CCC4CN(c5ccccn5)CC43)ccc2C)CC1,MSFZPSVFYBTDSC-UHFFFAOYSA-N
-rxn:4:215219:225518,CCCCCOc1ncc(C)cc1-c1ccc2ccc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1,VZGXDXKLUNDGBS-UHFFFAOYSA-N
-rxn:4:215845:223977,CN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3C(=O)OC(C)(C)C)nc2)CC1,WCXMISLVINRXIS-UHFFFAOYSA-N
-rxn:4:215864:224187,CN1CCN(C(=O)c2cc(-c3ccc(OCCN4CCCCC4)cc3F)cnc2F)CC1,MJZIHFMVCNOUGF-UHFFFAOYSA-N
-rxn:4:215898:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cn2)CC1,LUPWHAVFPFFNBH-UHFFFAOYSA-N
-rxn:4:215935:222622,CCC(C)c1cc(-c2c(C)nn(S(=O)(=O)N3CCCCC3)c2C)cc(C2CCCNC2)n1,SPXPKNXNHRQTAP-UHFFFAOYSA-N
-rxn:4:215937:223595,Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VUVRTNALSTZZHZ-UHFFFAOYSA-N
-rxn:4:215949:223602,CC(C)c1nc(N2CCN(C)CC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,NGTRFMMMTZCRBL-UHFFFAOYSA-N
-rxn:4:215969:224596,COc1cc(N2CCCCC2C)ccc1-c1cc(Cl)cnc1N1CCN(C2CCC2)CC1,QNIANAXOKUQAST-UHFFFAOYSA-N
-rxn:4:216319:225313,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)nc4F)ccc3S2(=O)=O)n1,JTAIZSRZONCOCT-UHFFFAOYSA-N
-rxn:4:216319:225454,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(C5=CCN(C)CC5)cc4)ccc3S2(=O)=O)n1,VEXHJIATSUSBFX-UHFFFAOYSA-N
-rxn:4:216354:225297,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc1C1CC(c3ccccc3)=NN12,MGCLWQMJTRGUQV-UHFFFAOYSA-N
-rxn:4:217186:223660,CN1CCN(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,HSKYINDJQDCFDG-UHFFFAOYSA-N
-rxn:4:217882:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4ncnc(N5CCCCC5)c4c3)c(Cl)c2)CC1,GNKWGXHLLKSVIS-UHFFFAOYSA-N
-rxn:4:217889:222628,c1nc(N2C3CCC2CC(=C2CC2)C3)ncc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,DCWMKJPXRHTTRM-UHFFFAOYSA-N
-rxn:4:217905:223064,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCNCC5)nc4F)ccc2OC32CCN(C)CC2)o1,KOCILFYTOJQYCZ-UHFFFAOYSA-N
-rxn:4:218569:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CC(=O)N4CCC(n5cc(COC)nn5)C4)cc3)cc2C)CC1,UWHMDSWYPUKWDR-UHFFFAOYSA-N
-rxn:4:218610:223638,COc1ccccc1Cc1noc(C2CN(C(=O)c3cncc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)c3)C2)n1,RSRXEMJCMATNNJ-UHFFFAOYSA-N
-rxn:4:218640:222876,CC(C)c1ocnc1CN1CCCC(COc2ncc(-c3ccc(C(=O)NC(C)(C)C)c(F)c3)cn2)C1,PLENZHOIYWLDDK-UHFFFAOYSA-N
-rxn:4:218665:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cnc(OCC2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nc1,PIRFCMCWCNLVNH-UHFFFAOYSA-N
-rxn:4:218665:225802,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OC5CCCC5)nc4F)cn3)C2)c1,GDWYRRKUSQZVAG-UHFFFAOYSA-N
-rxn:4:218681:225972,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnc(Cl)c(-n5cc(C)cn5)c4)cn3)CC2)CC1,CYBBEEBTWRSLBB-UHFFFAOYSA-N
-rxn:4:218681:227000,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccccc4OCC4CC4)cn3)CC2)CC1,GOBURJYANQLJOD-UHFFFAOYSA-N
-rxn:4:218682:224247,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCC(C)CC5)cc4F)cn3)C2)CC1,SZSNMQWUDKAHMV-UHFFFAOYSA-N
-rxn:4:218725:222746,CCOC(=O)Cn1c(=O)c2c(nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)n2Cc2ccccc2Cl)n(C)c1=O,SNYRBXJKJPUMPQ-UHFFFAOYSA-N
-rxn:4:218768:225313,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(N2CCN(C)CC2)nc1F,YVFMHJHLTSWZEF-UHFFFAOYSA-N
-rxn:4:218786:228799,COc1c(Cl)cccc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,BTURDIBGFHXAEO-UHFFFAOYSA-N
-rxn:4:218900:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnn(CC2CN(C(=O)c3cccc(N(C)C)c3)C2)c1,PLCPISMVWMBDFY-UHFFFAOYSA-N
-rxn:4:218903:226768,CSc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)cc1C(F)(F)F,RHSXYDLQKHOXFO-UHFFFAOYSA-N
-rxn:4:218908:223598,Fc1cc(-c2cnc(OCC3CCN(Cc4cccnc4)CC3)nc2)ccc1OCCN1CCC2(CC1)OCCO2,YGBLTXBYEUGYPP-UHFFFAOYSA-N
-rxn:4:219011:222454,CN(c1cnc(-c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,IXBLRXFWZNKMEH-UHFFFAOYSA-N
-rxn:4:219011:226225,COCCOCc1cccc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,QLLCHXYTDUSAOX-UHFFFAOYSA-N
-rxn:4:219014:223918,CN(C(=O)c1ccc(F)c(-c2ccccc2CC(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)c1)C1CCCCC1,KYMQNXMTZWXSDT-UHFFFAOYSA-N
-rxn:4:219016:223638,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)C1,SQPLUOKLVPZBOR-UHFFFAOYSA-N
-rxn:4:219028:223723,CCC(CC)Oc1ccc(-c2ccc(-c3c(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)cnn3C)cc2)cc1,WXSLQSGRYNYUGJ-UHFFFAOYSA-N
-rxn:4:219125:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1nccn1)C2,CNZKCPFROOLXCR-UHFFFAOYSA-N
-rxn:4:219126:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccccc1CCC(=O)N1C2CCC1CC(n1cncn1)C2,YZBPSHJMTZGFNB-UHFFFAOYSA-N
-rxn:4:219136:226489,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4ccc(OCCCF)c(Cl)c4)C3C2=O)cc1,OFHJBDWOWUWTKK-UHFFFAOYSA-N
-rxn:4:219372:225975,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccnc(N3CCOCC3)c2Cl)CC1,NXWDZDPBCGBTJX-UHFFFAOYSA-N
-rxn:4:219375:225001,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(CN4CCCC(F)C4)cc3)nn2)C1,UFPFBADOUKJLID-UHFFFAOYSA-N
-rxn:4:219384:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)CC1,XBCLWCSSRVPUHP-UHFFFAOYSA-N
-rxn:4:219419:224750,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(C(=O)N5CCOCC5)c4)o3)CC2)cc(C(F)(F)F)n1,CASCLIMQMUJEOU-UHFFFAOYSA-N
-rxn:4:219473:224395,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,NSNYZDUAXTUGMK-UHFFFAOYSA-N
-rxn:4:219488:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1,VYBFIKHMYCVYHZ-SFHVURJKSA-N
-rxn:4:219501:226007,CSc1ncc(-c2ccc(F)c(OCC(F)(F)F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,BDAICYJKIDFTLN-UHFFFAOYSA-N
-rxn:4:219529:227611,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccnn1C1CCCCO1,ZTJXGZDRTWYRSN-UHFFFAOYSA-N
-rxn:4:219530:223762,COC(=O)c1c(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c(C)n(Cc2ccccc2)c1C,LTQFHQNVURBMTA-UHFFFAOYSA-N
-rxn:4:219536:225893,COCCOc1c(Cl)ccc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)o2)c1F,QXZHQNXOKINJAW-UHFFFAOYSA-N
-rxn:4:219540:224193,CCN1CCN(Cc2cc(-c3ccccc3C(=O)N3CCC(N(C)c4cc(C)ncn4)CC3)ccc2F)CC1,WZPKXZUZFDVCQJ-UHFFFAOYSA-N
-rxn:4:219550:223481,Cc1ccc(-c2noc(Cn3nc(-c4cccc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5F)c4)ccc3=O)n2)cc1C,CSWIMWUUFFQAQT-UHFFFAOYSA-N
-rxn:4:219552:223491,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,DSCMBANEKUUQSX-UHFFFAOYSA-N
-rxn:4:219569:222542,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccc(C)c(OCCCN3CCNCC3)c2)cc1[N+](=O)[O-],RXCJIDMDAOEUOY-UHFFFAOYSA-N
-rxn:4:219653:224193,CCN1CCN(Cc2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)ccc2F)CC1,MXTIRJJQROJCJV-UHFFFAOYSA-N
-rxn:4:219654:224394,Cc1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)N1CCOCC1,CCEVTRHFMYCISX-UHFFFAOYSA-N
-rxn:4:219668:222656,O=C(NC1CCCCC1)c1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)c2)cc1F,VHAAQIBVKVHRSK-UHFFFAOYSA-N
-rxn:4:219727:223491,COc1ccc(-n2nc(-c3nc(-c4cccc(-c5cc(N6CCN(C(=O)OC(C)(C)C)CC6)cc(C(F)(F)F)c5)c4)no3)c3ccccc3c2=O)cc1,LZDNHEBCTNPHAN-UHFFFAOYSA-N
-rxn:4:219759:225975,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(N5CCOCC5)c4Cl)cc2)OC3)CC1,JPZYMESJHQEKIC-UHFFFAOYSA-N
-rxn:4:219759:226242,CCCCOc1ccc(F)c(-c2ccc(C3Cn4nc(C(=O)N5CCN(CC)CC5)cc4CO3)cc2)c1,UHIMSZQTPHUHQA-UHFFFAOYSA-N
-rxn:4:219780:226236,CCCCOc1ncc(C)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,UXCLABBWOSUCGH-UHFFFAOYSA-N
-rxn:4:219891:222719,CN1CCC(N2CC(Cn3cc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cn3)C2)C1=O,KNGIRTFGULKERD-UHFFFAOYSA-N
-rxn:4:219909:223602,Cn1cnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)C2)cc1=O,YUHLTSMSUKYSNP-UHFFFAOYSA-N
-rxn:4:219910:223532,Cn1ccnc(N2CCC(Oc3ccncc3-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1=O,SQRQFIWCBWRJBF-UHFFFAOYSA-N
-rxn:4:219950:223973,CSc1ncc(-c2ccc(N3CCCC(C)C3)cc2C(F)(F)F)c(N2CCN(C3CCC3)CC2)n1,XBTXVEFOGIZBNF-UHFFFAOYSA-N
-rxn:4:219956:223595,Cc1ncnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)c1C,OCIFHYDSXHMCFZ-UHFFFAOYSA-N
-rxn:4:220136:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cnc2C1,JYEBPBOOYKYUSM-UHFFFAOYSA-N
-rxn:4:220222:223945,Cc1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,KHXKKXYNINEKGG-UHFFFAOYSA-N
-rxn:4:220251:223786,C[C@@H]1Cc2c(ccc3[nH]ncc23)C(c2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cn2)N1CC(F)(F)F,MMNPBGAZCPBFNB-UBIBJYAGSA-N
-rxn:4:220398:223785,CCN1CCN(CCOc2ccc(-c3cnc(N4CCN(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1,UCROLQFVJDQLTD-UHFFFAOYSA-N
-rxn:4:220429:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c2)CC1,PWNZNGIRVRVTQK-UHFFFAOYSA-N
-rxn:4:220519:223660,CCN1CCN(c2ncnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc23)CC1,DHNLLJCDCCDMNY-UHFFFAOYSA-N
-rxn:4:221108:223823,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c(=O)c1C,CAZIANDIOVSRJM-UHFFFAOYSA-N
-rxn:4:221121:224521,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)c(OCc6ccccc6)c5)ccc43)CC2)CC1,MOWSXWXROLCYLG-UHFFFAOYSA-N
-rxn:4:221121:226987,CCCCSc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,GLCIZGRXSZTLNN-UHFFFAOYSA-N
-rxn:4:221177:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,YUUWBBIREFNCAW-UHFFFAOYSA-N
-rxn:4:221193:227441,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cnc(C5CCC5)c(Cl)c4)cn3)C2)CC1,MXYWUFIFBFYKPN-UHFFFAOYSA-N
-rxn:4:221269:225975,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,UXZYOVNGGKEVIE-UHFFFAOYSA-N
-rxn:4:221393:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(Cl)c2)CC1,AKHPNSWESHQEAI-UHFFFAOYSA-N
-rxn:4:221395:224254,CC1CCCN(C(=O)c2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)ccc2F)C1,BDGWSKRNSWBIJG-UHFFFAOYSA-N
-rxn:4:221433:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,BMVZQNAAYFVQIC-UHFFFAOYSA-N
-rxn:4:221435:225215,CC1CCN(c2nccc(-c3cccc(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)c3)c2Cl)CC1,IOXAPFCDKRZBIF-UHFFFAOYSA-N
-rxn:4:221437:224728,COc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)c(C(=O)OC(C)(C)C)cn1,UWTXPJLCEHXFPL-UHFFFAOYSA-N
-rxn:4:221440:222658,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cc3)CC2)n1,DDUNLDABOZWJLX-UHFFFAOYSA-N
-rxn:4:221440:223279,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,NHVUQHAZQFXNEM-UHFFFAOYSA-N
-rxn:4:221447:226844,Cc1cc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,XBLJZTGPPZKYOG-UHFFFAOYSA-N
-rxn:4:221453:223911,CCOC(=O)C1(c2ccc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)CCOCC1,JFRIGIMDEHYEFH-UHFFFAOYSA-N
-rxn:4:221728:223602,Cn1nc(C2CCN(c3nc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cc4s3)CC2)n(C2CC2)c1=O,DPYSXQXLOPPWJQ-UHFFFAOYSA-N
-rxn:4:221968:222545,CN(C(=O)Cc1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1)C1CN(c2ccc3nncn3n2)C1,AGFHVRHHYSLSLK-UHFFFAOYSA-N
-rxn:4:221980:226457,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(C6CCOC6)c(F)c5)c4)sc3n2)CC1,OHWCMEUAISBRPI-UHFFFAOYSA-N
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-rxn:5:177891:226649:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccnc3N3CCOCC3)s2)CC1,CJOWISPBTFTAHI-UHFFFAOYSA-N
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-rxn:5:178118:225672:226464,COc1ccc2c(c1-c1ccc(-c3cc(F)nc(C4CCCCC4)c3)c(OCC3CCCCO3)c1)OCCO2,JWOKRCVYAOLDDG-UHFFFAOYSA-N
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-rxn:5:178295:223399:226059,CNCc1ccccc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,CHDZMFMPIXUTSP-UHFFFAOYSA-N
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-rxn:5:180022:225498:226665,COc1c(-c2cnc(C3CCCOC3)nc2)ccc(-c2cc(C3CCCCC3)ccc2F)c1C1OCCO1,ROZFBJCGAXLWJI-UHFFFAOYSA-N
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-rxn:5:180204:222409:226661,COc1ccc(-c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2OC2CCOCC2)cc1S(N)(=O)=O,HVYDMGVQFQJAOQ-UHFFFAOYSA-N
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-rxn:5:180662:225937:226880,COC(=O)C1=Cc2cc(-c3cc(F)c(F)c(C(F)(F)F)c3)cc(-c3cc(C(F)(F)F)ncc3C(C)C)c2OC1,VMSSNMMBVKMPJB-UHFFFAOYSA-N
-rxn:5:180662:226649:226743,CCc1cc(-c2cc3c(c(-c4cccnc4N4CCOCC4)c2)OCC(C(=O)OC)=C3)cc(C(F)(F)F)n1,UWPZWISHLQAAIF-UHFFFAOYSA-N
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-rxn:5:181906:223062:226686,Cc1ccc(-c2cnc(C3CCNCC3)cc2F)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,OHMJPKKKTACSGN-UHFFFAOYSA-N
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-rxn:5:181907:222998:222987,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,MHEPDXCYPFBIMZ-UHFFFAOYSA-N
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-rxn:5:182009:225407:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2CCOCC2)c1,OCNVBSSGSSSISF-UHFFFAOYSA-N
-rxn:5:182009:225832:226665,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCCOC3)nc2)cc1C1CCOCC1,RRCCFSMDCOBWNZ-UHFFFAOYSA-N
-rxn:5:182010:223139:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCNCC3)nc2)c1,NVUYQGSJZMXRFF-UHFFFAOYSA-N
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-rxn:5:183228:225638:225986,CC1CCN(c2ccc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OC(C)(C)CC4)cn2)CC1,UBZCGANJLSXOSN-UHFFFAOYSA-N
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-rxn:5:189207:228994:225943,N#Cc1ccccc1-c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)c(C(=O)ON2C(=O)CCC2=O)c1,MFSHLGZJDLGTAA-UHFFFAOYSA-N
-rxn:5:189208:225454:223359,CNCc1ccc(-c2cc(-c3ccc(C4=CCN(C)CC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)cc1F,SFEHMXUMOYUDPT-UHFFFAOYSA-N
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-rxn:5:189210:226322:227944,Cc1cc(C(=O)N(C)C)ccc1-c1cccc(-c2cncc(C(C)(C)C)c2)c1C(=O)ON1C(=O)CCC1=O,CTUJXPCFYPZALP-UHFFFAOYSA-N
-rxn:5:189211:225800:227284,N#Cc1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C(=O)N3CCSC3)cc2)c(C2CC2)cn1,UUEODPQIQZTRRX-UHFFFAOYSA-N
-rxn:5:189211:226054:223064,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cnc(C(F)(F)C(F)(F)F)nc2)c1-c1ccc(C2CCNCC2)nc1F,VKEXLSTXXXNBKZ-UHFFFAOYSA-N
-rxn:5:189212:223388:225822,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(F)(F)F)c2C2CC2)c(-c2ccc(S(=O)(=O)O)cc2)c1,WFHNXIIYHFQJLK-UHFFFAOYSA-N
-rxn:5:189320:225621:225946,CC(=O)c1cc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2ccc(OC3CCOC3)c(C)c2)cc(C(F)(F)F)c1,WXFSAJKMWAFCRO-UHFFFAOYSA-N
-rxn:5:189449:226152:226760,COC(=O)c1cc(-c2ccc(-c3cc(C4CC4)cc(OC)c3C)c(C(=O)N3CC(OC)C3)c2)cc(F)c1F,UJKQWHIGEHLRQH-UHFFFAOYSA-N
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-rxn:5:189718:222957:228491,Cc1cc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cn(C)c(=O)n(C)c2=O)cc(C2CCCNC2)c1,DVGGACLNHWWVRI-UHFFFAOYSA-N
-rxn:5:189908:226422:226599,CCOc1c(F)cc(-c2ncc(-c3cc(F)ccc3N3CCCC3)cc2OCC2CCCCC2)c(C)c1F,DVMJLRDCODBCLC-UHFFFAOYSA-N
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-rxn:5:189952:225980:227376,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCOCC2)ncc1F,VEUOTVTYTDQBSI-UHFFFAOYSA-N
-rxn:5:189952:227684:225976,COc1c(-c2cnn(CC3OCCO3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,RAVIPCAHRVIMJW-UHFFFAOYSA-N
-rxn:5:190001:227450:226747,CCc1ncc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(C3CC3(F)F)c2)cc1C(F)(F)F,RBEZEXGOENWRHB-UHFFFAOYSA-N
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-rxn:5:190131:228490:225926,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(C(=O)N2CCCCC2)cc1-c1cccc(S(=O)(=O)F)c1,NSHGRNKDZFHNPH-UHFFFAOYSA-N
-rxn:5:190177:223058:227677,Cc1ccc(C(F)(F)F)c(-c2ccc(SC3CC(=O)N(c4ccc(-c5cc(F)nc(C6CCCNC6)c5)cc4)C3=O)cc2)c1,HGDZDMXPGJFGDA-UHFFFAOYSA-N
-rxn:5:190177:227288:225814,CN(C)C(=O)c1ccccc1-c1ccc(N2C(=O)CC(Sc3ccc(-c4cccc(C5(C(F)(F)F)CC5)c4)cc3)C2=O)cc1,MABOHRQYAZBCOE-UHFFFAOYSA-N
-rxn:5:190177:227390:223145,O=C1CCC(c2ccc(-c3ccc(SC4CC(=O)N(c5ccc(-c6ccnn6C6CCCCC6)cc5)C4=O)cc3)cc2)N1,LVYUIQCTOJEEAH-UHFFFAOYSA-N
-rxn:5:190194:223006:223388,COC1CCN(Cc2cccc(-c3ccc(F)c(C4CCNCC4)c3)c2-c2ccc(S(=O)(=O)O)cc2)CC1,SVYSQRLMZHTYMB-UHFFFAOYSA-N
-rxn:5:190194:225652:228480,COC1CCN(Cc2cccc(-c3cncc(N4CCCC(C)C4)c3)c2-c2cc(F)ccc2[N+](=O)[O-])CC1,XCXUZXYBENPJFL-UHFFFAOYSA-N
-rxn:5:190194:226069:227057,COc1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(C3CCCCC3)c2)c1C1CC1,URYOSUGIJRFDQL-UHFFFAOYSA-N
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-rxn:5:190195:227491:223113,CN(Cc1ccc(-c2cnc(OC3CCC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,WSPPEFOZYUOSDC-UHFFFAOYSA-N
-rxn:5:190199:222417:225590,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCCC3)c(F)c2)cc1CN(C)C1CCOCC1,CFWMCXDOCHHXII-UHFFFAOYSA-N
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-rxn:5:190337:227907:223202,CCC(C)c1cncc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC)c1,QMZXBISTNDWFME-UHFFFAOYSA-N
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-rxn:5:190484:227906:227409,CCC(C)c1ncccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,KQNZAGQVIRMXOQ-UHFFFAOYSA-N
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-rxn:5:190743:225980:225833,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,MBGVMPDTXSLMOM-UHFFFAOYSA-N
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-rxn:5:190833:226973:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc3c(c2)C(C)(C)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,YCEBGYGHBHFAJE-UHFFFAOYSA-N
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-rxn:5:193229:228499:225407,Cn1nc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCOCC2)c1-c1ccc(C2CCCCCC2)cc1,YWEACOZIOPCKRG-UHFFFAOYSA-N
-rxn:5:193335:225982:225834,Fc1cc(N2CCOCC2)ncc1-c1cccc(-c2cc(N3CCCCC3)ncc2F)c1CN1CCOCC1,FNAWSNXBESGMQL-UHFFFAOYSA-N
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-rxn:5:193972:226366:228577,CC#Cc1cncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1,LBSBLKSPHJJRCP-UHFFFAOYSA-N
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-rxn:5:193972:226366:228619,CCc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccc1F,FSHPNARDSHWPOV-UHFFFAOYSA-N
-rxn:5:193972:226366:228622,CCc1cc(F)ccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1C,CCIQDDGORSHOPC-UHFFFAOYSA-N
-rxn:5:193972:226366:228626,CCc1cccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1F,RAXVUHJDGFVYKP-UHFFFAOYSA-N
-rxn:5:193972:226366:228630,CCc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1,QDIVZUDSCZGIPY-UHFFFAOYSA-N
-rxn:5:193972:226366:228635,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)c(C)c1C,WMALPXPMHFGEGZ-UHFFFAOYSA-N
-rxn:5:193972:226366:228636,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cc(F)cc1C,KHRYXVBNFJUOHP-UHFFFAOYSA-N
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-rxn:5:193972:226366:228644,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C)c(F)c(C)c1,BLOWSMPBWUGYQM-UHFFFAOYSA-N
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-rxn:5:193972:226366:228714,Cc1cc(C#N)ncc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1C,QLWWQRNISLXIJB-UHFFFAOYSA-N
-rxn:5:193972:226366:228715,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1C,QHVYDRCHQDATNT-UHFFFAOYSA-N
-rxn:5:193972:226366:228716,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C#N)c(C)c1,YETBZTJPJVQPLQ-UHFFFAOYSA-N
-rxn:5:193972:226366:228722,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(C#N)c1C,XVVYQFFFZSAIKU-UHFFFAOYSA-N
-rxn:5:193972:226366:228729,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)cc1C#N,OBPFQLBZDSJUJD-UHFFFAOYSA-N
-rxn:5:193972:226366:228740,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)cc1F,PVLFOBFKULZEGQ-UHFFFAOYSA-N
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-rxn:5:193972:226366:228763,CCc1c(F)cncc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1C,NBPVYKDYWMMMEV-UHFFFAOYSA-N
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-rxn:5:193972:226366:228766,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(F)n1,OODMSQSKILPOQK-UHFFFAOYSA-N
-rxn:5:193972:226366:228767,CCc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc(F)n1,BOMXLOYXMQMHRY-UHFFFAOYSA-N
-rxn:5:193972:226366:228768,CCc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(F)cn1,CZTQLEQKWWEXTF-UHFFFAOYSA-N
-rxn:5:193972:226366:228772,CCc1c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccnc1F,SNUPDCHZICOVRQ-UHFFFAOYSA-N
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-rxn:5:193972:226366:228778,COc1cccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1F,HVMAPLHDEQNGGP-UHFFFAOYSA-N
-rxn:5:193972:226366:228784,COc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccc1F,CASJUPZTVNUJMV-UHFFFAOYSA-N
-rxn:5:193972:226366:228787,COc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1,FKCAOCMJXHYAQG-UHFFFAOYSA-N
-rxn:5:193972:226366:228789,COc1cc(F)ccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1C,OHULOKJGARXOQF-UHFFFAOYSA-N
-rxn:5:193972:226366:228792,CSc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc1F,NRIMPRLESOLOND-UHFFFAOYSA-N
-rxn:5:193972:226366:228796,COc1ccc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1,USAAAMXTUJZACS-UHFFFAOYSA-N
-rxn:5:193972:226366:228798,CSc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccc1F,SXGWCVSONYIHBV-UHFFFAOYSA-N
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-rxn:5:193972:226366:228824,Cc1cc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(F)c1,SZQYCUIJBFQYKC-UHFFFAOYSA-N
-rxn:5:193972:226366:228825,Cc1cc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc1F,NLELIFLKGZLOGF-UHFFFAOYSA-N
-rxn:5:193972:226366:228826,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c(F)cc1F,LUWMGGDGJCSZKJ-UHFFFAOYSA-N
-rxn:5:193972:226366:228827,Cc1cc(F)c(F)cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1C,FZZOHAPGYJCYPC-UHFFFAOYSA-N
-rxn:5:193972:226366:228832,Cc1cc(F)c(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1,JURKJYWHJXBHKO-UHFFFAOYSA-N
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-rxn:5:193972:226366:228906,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C(F)F)c1,PEPHNLMYHDRSCP-UHFFFAOYSA-N
-rxn:5:193972:226366:228913,COc1nccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)c1F,RRSLCNMTDJJSMG-UHFFFAOYSA-N
-rxn:5:193972:226366:228914,COc1c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)ccnc1F,YGNBQJVXBPLMSD-UHFFFAOYSA-N
-rxn:5:193972:226366:228917,COc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cnc1F,CDGCVTLXIJUALL-UHFFFAOYSA-N
-rxn:5:193972:226366:228918,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnccc1C(F)F,ZZUWEPKXAPESCI-UHFFFAOYSA-N
-rxn:5:193972:226366:228921,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(F)F)nc1,IJYJVRIQFDTDCZ-UHFFFAOYSA-N
-rxn:5:193972:226366:228928,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C(F)F,KKZAUJQNUPWNJF-UHFFFAOYSA-N
-rxn:5:193972:226366:228969,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cscc1C(F)(F)F,VMTPNTLDHJYRPP-UHFFFAOYSA-N
-rxn:5:193972:226366:229062,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)n1C,GYQHEEYGDNULSY-UHFFFAOYSA-N
-rxn:5:193972:226395:228574,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)c(C#N)c1,TUTWYWZXSLGCEV-UHFFFAOYSA-N
-rxn:5:193972:226794:228781,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C(F)F)cc1,UBIYWOBFAOUHAC-UHFFFAOYSA-N
-rxn:5:193972:228236:227376,Cc1cc(-c2ccnc(F)c2C2CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCC2)c1,MTJWCVJNXUHRTF-UHFFFAOYSA-N
-rxn:5:193972:228259:227387,COc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1F,VQRBRKRQTVLHSK-UHFFFAOYSA-N
-rxn:5:193972:228512:226181,CC#Cc1cccc(-c2cc(C)c(-c3ccc(C4=CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,NKZPJMUHUXHMOB-UHFFFAOYSA-N
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-rxn:5:194522:225633:225985,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCCCCC3)nc1)c2-c1cccc(N2CCCS2(=O)=O)c1,GIGACDPHCRSQST-UHFFFAOYSA-N
-rxn:5:194522:225985:226177,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccnc(C2CCCCC2)c1,KPWHBPDTMVSYRC-UHFFFAOYSA-N
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-rxn:5:194575:226679:225986,O=S1(=O)CCCN1c1ccccc1-c1cc2c(s1)CCN(S(=O)(=O)c1ccccc1-c1cnc(N3CCCC3)cc1F)C2,HXSHWFFMEJOQHX-UHFFFAOYSA-N
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-rxn:5:194767:225640:227530,COC(=O)c1ccc(F)c(-c2ccc(-c3ccnc(N4CCCCC4C)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,NRCNYHDFPCIDNH-UHFFFAOYSA-N
-rxn:5:194767:227301:223388,CN(C)Cc1cc(F)ccc1-c1ccc(-c2ccc(S(=O)(=O)O)cc2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,HRGVIGNCXFPFOR-UHFFFAOYSA-N
-rxn:5:194767:227379:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4cccnc4N4CCCC4)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,AUMLWTUBZSUJHA-UHFFFAOYSA-N
-rxn:5:194767:227426:225870,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(C5CCCO5)nc4)ccc3-c3cc(F)cc(N4CCOCC4)c3)C2)c2ccccc21,WDXHSTOOQINFHX-UHFFFAOYSA-N
-rxn:5:194767:229073:225464,COc1cnccc1-c1ccc(-c2cccc(N3CCCC(C)C3)c2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,OPEMRIDGELXBOI-UHFFFAOYSA-N
-rxn:5:194791:223010:226679,O=C1C2C(c3ccc(-c4cnc(N5CCCC5)cc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(C2(O)CCOCC2)cc1,WEZATOVYOBPBKN-UHFFFAOYSA-N
-rxn:5:194791:228322:229061,CCOc1ncc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cnn(C(C)C)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1F,RTPKRBBVAMCSAB-UHFFFAOYSA-N
-rxn:5:194792:227049:227964,CCOc1c(C)cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cncc(C7(C)CC7)c6)cc5)C(=O)C34)cc2)cc1C,MTUQLRMMXBXUCM-UHFFFAOYSA-N
-rxn:5:196618:225455:225986,Cc1ccc(N2CCCCC2)cc1-c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(N2CCCC2=O)c1,ZNBAUJVDRIKEQJ-UHFFFAOYSA-N
-rxn:5:196618:225461:225986,Cc1cc(N2CCCCC2)ccc1-c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(N2CCCC2=O)c1,TVZKIACVEJETIX-UHFFFAOYSA-N
-rxn:5:196618:225924:225849,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2cnc(N3CCCCC3)cc2F)c(N2CCCC2=O)c1,IAFCYYOVPAXLAH-UHFFFAOYSA-N
-rxn:5:196618:225930:225833,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(-c3ccnc(N4CCCCC4)c3F)c(N3CCCC3=O)c2)c1,BHZUQMFLYJAGKO-UHFFFAOYSA-N
-rxn:5:196620:225812:222984,Cc1cc(-c2cc(-c3ccc(CN4CCC(O)C4)cc3)ccc2N2CCCC2=O)c(F)c(OC(C)C)c1F,JSXCRZSTANYSJZ-UHFFFAOYSA-N
-rxn:5:196620:225833:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCC2=O)c(-c2ccnc(N3CCCCC3)c2F)c1,UQXQPWXLGWNCSG-UHFFFAOYSA-N
-rxn:5:196794:226644:225849,O=C1COCCN1c1cc(-c2cncc(N3CCOCC3)c2)ccc1-c1cnc(N2CCCCC2)cc1F,HXKZGHLYEUSQAX-UHFFFAOYSA-N
-rxn:5:196858:223062:222957,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cnc(C3CCNCC3)cc2F)cc(C2CCCNC2)c1,WRBSDZITUNHXFR-UHFFFAOYSA-N
-rxn:5:196858:225655:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ncc1-c1cncc(N2CCC(C)CC2)c1,UGYFXFYSCSSXKQ-UHFFFAOYSA-N
-rxn:5:196859:223008:222988,Cc1cc(-c2nccc(C3CCOCC3)c2-c2cc(C3CCNCC3)ccc2F)cc(C2CCNCC2)n1,KYIKQYPBPGCDDP-UHFFFAOYSA-N
-rxn:5:196859:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccc(C2CCCCCC2)cc1,BDARBZOSLRRTAD-UHFFFAOYSA-N
-rxn:5:196869:225832:223139,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2ccc(C3CCNCC3)nc2)c1,ZMLSEDKGPINWQY-UHFFFAOYSA-N
-rxn:5:196873:225980:223065,Fc1cc(N2CCNCC2)ccc1-c1cc(N2CCOCC2)ccc1-c1cc(N2CCOCC2)ncc1F,AVMCTJBIRHBJBH-UHFFFAOYSA-N
-rxn:5:196916:226658:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2ccc(N3CCCC3)nc2F)c1,PGVHZRJDVXIKIG-UHFFFAOYSA-N
-rxn:5:196917:225833:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2ccnc(N3CCCCC3)c2F)=N1,CIIBGDPXBJKRHF-UHFFFAOYSA-N
-rxn:5:196917:225985:226431,CC1(C)COC(c2cc(-c3ccc(N4CCCC4)c(F)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,DRUIZHVRLRLXNL-UHFFFAOYSA-N
-rxn:5:196917:225986:226395,CC1(C)COC(c2cc(-c3cncc(N4CCCCC4)c3)ccc2-c2ccccc2N2CCCS2(=O)=O)=N1,GWOUVLUWVDAKHV-UHFFFAOYSA-N
-rxn:5:196917:226159:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cccc(N3CCCCC3)c2)=N1,KKNCYFKYGWBZEV-UHFFFAOYSA-N
-rxn:5:196919:226395:225986,CC1(C)COC(c2ccc(-c3cncc(N4CCCCC4)c3)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,AKRVKSMLKPGMTL-UHFFFAOYSA-N
-rxn:5:196969:225832:223139,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(C2CCNCC2)nc1,ZABDQDKTZVWEGV-UHFFFAOYSA-N
-rxn:5:196978:222989:225986,Cc1cc(N2CCNCC2)ccc1-c1ccc(N2CCCCC2)c(-c2ccccc2N2CCCS2(=O)=O)c1,QIBHKPSEFPXNSI-UHFFFAOYSA-N
-rxn:5:196978:225455:225985,Cc1ccc(N2CCCCC2)cc1-c1ccc(N2CCCCC2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,TVIOEYDNFVSGNA-UHFFFAOYSA-N
-rxn:5:196978:225461:225985,Cc1cc(N2CCCCC2)ccc1-c1ccc(N2CCCCC2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,NDOROYGBVLVERJ-UHFFFAOYSA-N
-rxn:5:196978:225461:225986,Cc1cc(N2CCCCC2)ccc1-c1ccc(N2CCCCC2)c(-c2ccccc2N2CCCS2(=O)=O)c1,GNAWCZDCVZMYFW-UHFFFAOYSA-N
-rxn:5:196978:225638:225986,CC1CCN(c2ccc(-c3ccc(N4CCCCC4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)CC1,TUVIZQWCKRCPNF-UHFFFAOYSA-N
-rxn:5:196978:225924:225639,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2)c(-c2cccnc2N2CCC(C)CC2)c1,SFTSLBSHFPONMO-UHFFFAOYSA-N
-rxn:5:196978:225985:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCCC1,BVQKZYUFMKRHHT-UHFFFAOYSA-N
-rxn:5:196978:225985:225639,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2N2CCCCC2)CC1,NGMUWNQUPMANPJ-UHFFFAOYSA-N
-rxn:5:196979:222989:225985,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(N2CCCCC2)c1,IUMZLVCPLBWDMF-UHFFFAOYSA-N
-rxn:5:197169:225986:225470,CC1CCN(c2ccc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)cc2)CC1,KFQKXVVLCXFLOW-UHFFFAOYSA-N
-rxn:5:197169:225986:226426,CC1CCN(c2ccc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)s2)CC1,HMSDBHBRBJGHMO-UHFFFAOYSA-N
-rxn:5:197876:223113:227944,CC(C)(C)c1cncc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BATOMAFOAKUPEO-UHFFFAOYSA-N
-rxn:5:197876:223113:227946,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,MENKYJDUMPXKOD-UHFFFAOYSA-N
-rxn:5:197876:226366:227824,CC(C)(C)N1C(=O)c2cc(-c3ccc(C4CCC4)cc3)c(-c3ccnc(N4CCCCC4)c3)cc2S1(=O)=O,JJYNJHAWSVZQJN-UHFFFAOYSA-N
-rxn:5:198559:225455:225607,Cc1ccc(N2CCCCC2)cc1-c1ccc2c(c1)C(c1ccc(C(C)N3CCCCC3)s1)=NS2(=O)=O,SULQVOLYTWUDLG-UHFFFAOYSA-N
-rxn:5:198559:225456:225607,CC(c1ccc(C2=NS(=O)(=O)c3ccc(-c4ccc(C5CCN(C)CC5)cc4)cc32)s1)N1CCCCC1,AOOFFQKZWHNKOI-UHFFFAOYSA-N
-rxn:5:198559:225465:225607,CC(c1ccc(C2=NS(=O)(=O)c3ccc(-c4cccc(C5CCN(C)CC5)c4)cc32)s1)N1CCCCC1,JFBTUUHMTZRLNS-UHFFFAOYSA-N
-rxn:5:198559:225631:225607,CC(c1ccc(C2=NS(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc32)s1)N1CCCCC1,IIYFFOBXFUOFDW-UHFFFAOYSA-N
-rxn:5:198559:225632:225607,CC(c1ccc(C2=NS(=O)(=O)c3ccc(-c4cccc(N5CCN(C)CC5)c4)cc32)s1)N1CCCCC1,HSDGRBOTTSPGSD-UHFFFAOYSA-N
-rxn:5:198559:225637:225607,CC(c1ccc(C2=NS(=O)(=O)c3ccc(-c4ccccc4N4CCN(C)CC4)cc32)s1)N1CCCCC1,AZTMLDURBLIJCT-UHFFFAOYSA-N
-rxn:5:222981:181904:222960,Cc1cc(-c2c(-c3ccnc(NC4CCCCC4)c3)ccc(C3OCCO3)c2C)cc(C2CCNCC2)c1,JWNQLFISKVPGFB-UHFFFAOYSA-N
-rxn:5:222985:182013:222958,Cc1ccc(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2C2CCOCC2)cc1C1CCNCC1,RTGZDFMJXWWCEF-UHFFFAOYSA-N
-rxn:5:223000:180022:226374,COc1c(-c2cncnc2C2CCCCC2)ccc(-c2ccc(C3CCCNC3)c(F)c2)c1C1OCCO1,OULRSTUFFOLHPL-UHFFFAOYSA-N
-rxn:5:223000:181907:222959,Cc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2ccc(C3CCNCC3)c(C)c2)c(C2OCCO2)c1,LTGLNTCEAVQRPT-UHFFFAOYSA-N
-rxn:5:223018:190796:226058,CC(C)c1cccc(C(C)C)c1-c1cccc2c1c(-c1ccc3c(c1)NC(=O)C(C)(C)O3)cn2C(=O)OC(C)(C)C,NDLRFHGPARDACL-UHFFFAOYSA-N
-rxn:5:225454:193972:228996,CCc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)ccn1,OVRVPMQGBWMYPD-UHFFFAOYSA-N
-rxn:5:225677:178467:228157,CCOC(=O)C1=Cc2cc(-c3ccc(OC)cc3OC)cc(-c3ccc(C4CCCCC4)nc3F)c2OC1,IRWYTNZLFRAOMJ-UHFFFAOYSA-N
-rxn:5:225805:181906:226177,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1ccnc(C2CCCCC2)c1,DRYKHPMQGZJSFF-UHFFFAOYSA-N
-rxn:5:225805:181906:226182,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1cccnc1C1CCCCC1,FHHONIAMRFVUSV-UHFFFAOYSA-N
-rxn:5:225832:181630:223056,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1ccc(N2CCC(O)CC2)nc1,LQBSBRGTULFKQY-UHFFFAOYSA-N
-rxn:5:225832:182013:223140,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)c(C2CCOCC2)c1,NHUFODKBKLTBOS-UHFFFAOYSA-N
-rxn:5:225832:196859:222957,Cc1cc(-c2nccc(C3CCOCC3)c2-c2c(C)nn(C3CCCCO3)c2C)cc(C2CCCNC2)c1,BZQZIASRZDWQHY-UHFFFAOYSA-N
-rxn:5:225832:196859:223004,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2CCNCC2)c(F)c1,PVKOXEWQEZPBCT-UHFFFAOYSA-N
-rxn:5:225832:196859:223186,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1cnn(C2CCCCO2)c1,BOPGUZLICFWODK-UHFFFAOYSA-N
-rxn:5:225833:193754:227710,CC1CCN(C(=O)c2cccc(-c3ccnc(N4CCCCC4)c3F)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,GCJNZBUIRPKZCA-UHFFFAOYSA-N
-rxn:5:225884:196969:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2COCCO2)c(F)c1,IAJRUTPRXAOQBO-UHFFFAOYSA-N
-rxn:5:225886:193869:226181,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,ZUQWEDWKFRYJTF-UHFFFAOYSA-N
-rxn:5:225886:193869:226366,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,MKFQTOPCOPJIFF-UHFFFAOYSA-N
-rxn:5:225985:193151:225639,CC1CCN(c2ncccc2-c2cccc(CN3CCCC3)c2-c2cccc(N3CCCS3(=O)=O)c2)CC1,WUELFPFGXXBAGI-UHFFFAOYSA-N
-rxn:5:225985:194522:223131,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccc(N2CCNCC2)cc1,ZFNGWQBKIQIMGL-UHFFFAOYSA-N
-rxn:5:225985:196978:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCCC1,ZYRWWEZFOZDRRT-UHFFFAOYSA-N
-rxn:5:225986:192568:225634,Cc1cc(-c2ccc(C(=O)N3CCC3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,KBCFAVJCDURDEL-UHFFFAOYSA-N
-rxn:5:225986:197169:225462,CC1CCN(c2cccc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)c2)CC1,ZETPVFATZVVEEL-UHFFFAOYSA-N
-rxn:5:226058:178295:228592,COC(=O)C1(c2cc(-c3cncc(C(C)C)c3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,UODLWRLGOMMQOP-UHFFFAOYSA-N
-rxn:5:226068:178295:228615,COC(=O)C1(c2cc(-c3cc(C)ccc3SC)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,XGPNVTBWPXYKNE-UHFFFAOYSA-N
-rxn:5:226068:189208:227950,Cc1ccc(N(C)C)cc1-c1cc(-c2c(C)cc(C(C)(C)C)cc2C)ccc1C(=O)ON1C(=O)CCC1=O,NYISCPBLSKVVJD-UHFFFAOYSA-N
-rxn:5:226084:178295:228275,COC(=O)C1(c2cc(-c3cc(C)cc(F)c3OC)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,HKQNVKXLWYVPHQ-UHFFFAOYSA-N
-rxn:5:226085:178295:227935,CCc1cc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,NWWQTNOOMMEHFT-UHFFFAOYSA-N
-rxn:5:226140:178295:227983,COC(=O)C1(c2cc(-c3ccccc3[Si](C)(C)C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,LOZXHKYFOXYWQQ-UHFFFAOYSA-N
-rxn:5:226140:178295:228510,COC(=O)C1(c2cc(-c3ccccc3C(C)C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,PCGHNHBUKQXRDF-UHFFFAOYSA-N
-rxn:5:226140:178295:228789,COC(=O)C1(c2cc(-c3ccc(F)cc3OC)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,PPGPRAAVXKBBPH-UHFFFAOYSA-N
-rxn:5:226174:178224:226778,COc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C4CCCCC4)nc3)c2)c(F)c(F)c1OC,LXNHFRRGCABBJJ-UHFFFAOYSA-N
-rxn:5:226177:180022:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2ccnc(C3CCCCC3)c2)c1C1OCCO1,MMMACEMQBJQQIP-UHFFFAOYSA-N
-rxn:5:226181:194522:225985,CC(C)CN1CCc2c1ccc(-c1ccc(C3=CCCCC3)nc1)c2-c1cccc(N2CCCS2(=O)=O)c1,AIWLLRYYSORJKZ-UHFFFAOYSA-N
-rxn:5:226183:180022:225982,COc1c(-c2cnc(N3CCOCC3)cc2F)ccc(-c2cnccc2C2CCCCC2)c1C1OCCO1,IKWFCYRRXYAFJJ-UHFFFAOYSA-N
-rxn:5:226211:178295:228520,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3C)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,PUUWRBGWVIAACL-UHFFFAOYSA-N
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-rxn:5:226322:178295:228791,COC(=O)C1(c2cc(-c3ccc(SC)cc3F)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,BRZXIWTVGLDSQP-UHFFFAOYSA-N
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-rxn:5:226366:178368:226164,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)cc3)c(C)c2)c(C)cc1-c1ccnc(N2CCCCC2)c1,BBQCUUIZHZEESS-UHFFFAOYSA-N
-rxn:5:226366:193870:228256,COc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C)c1F,IUMIJVYOJVUJIA-UHFFFAOYSA-N
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-rxn:4:174195:223602,CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c1,LZGJPFZRXHJMGE-UHFFFAOYSA-N
-rxn:4:174372:225361,COC(=O)c1cc(-c2cn(C3CCCC3)nc2C(F)(F)F)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,QBCYRGPRAMMBKK-UHFFFAOYSA-N
-rxn:4:174471:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(F)(F)F)ccc2CO[Si](C)(C)C(C)(C)C)c(Cl)c1,FPMYNDQDMCGPOU-UHFFFAOYSA-N
-rxn:4:174497:223928,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)cc1,IQOPEVGGSYVDKJ-UHFFFAOYSA-N
-rxn:4:174515:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,CHEPNSDHVKSEAC-UHFFFAOYSA-N
-rxn:4:174540:224127,CCN1CCN(C(C)c2ccc(-c3cccc(OCC45CC(C(=O)OC)(C4)C5)c3)cc2)CC1,PNJBUYHHONJBFZ-UHFFFAOYSA-N
-rxn:4:174605:222778,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cncc(CNC(=O)OC(C)(C)C)c3)c1)C2=O,PKGBIJGXUBYFPJ-UHFFFAOYSA-N
-rxn:4:174649:226067,COc1ccc(-c2ccc(C3=CCCCC3)cc2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,OQKUXLFZXBRQRB-UHFFFAOYSA-N
-rxn:4:174649:226097,COc1ccc(-c2ccc(COCC3CC3)cc2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,YJONHQRURCASMU-UHFFFAOYSA-N
-rxn:4:174657:227063,COc1ccc(-c2ccc(C)cc2OC(C)C)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,CZNKELHIJSJECM-UHFFFAOYSA-N
-rxn:4:174798:223588,CC(=O)COC(=O)c1ccccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,JSTPJOPMBBJLFB-UHFFFAOYSA-N
-rxn:4:175369:223784,CCOC(=O)/C(C)=C/c1c(F)cc(-c2ccc(OCCN3CCN(CC)CC3)c(F)c2)cc1F,NZLQMCMIKBAKNB-NBVRZTHBSA-N
-rxn:4:175433:224280,COC(=O)c1cc(C(=O)C(C)C)cc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1,ODUDOWQQMOVAFG-UHFFFAOYSA-N
-rxn:4:175483:222614,O=S(=O)(NC1CC1)c1ccc(-c2ccc(-c3cccc(OC(F)(F)F)c3)c(C(F)(F)F)c2)c(C(F)(F)F)c1,NRUPAMXUGMOJRF-UHFFFAOYSA-N
-rxn:4:175774:223490,CCOc1ccccc1C(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1Cl,KLVXNJPXRLSXJN-UHFFFAOYSA-N
-rxn:4:175777:223559,COc1ccc(C(=O)Cc2ccc(F)cc2)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,VYMFLACLMOVCPR-UHFFFAOYSA-N
-rxn:4:175917:225222,COC(=O)c1cc(-c2cc(N3CCCCC3C)ncc2F)c(OC2CCCCO2)cc1F,NBHKKASNHMVDKW-UHFFFAOYSA-N
-rxn:4:176018:224501,COc1cc(-c2ccc(OCC3CCCCN3C)cc2)c(F)cc1OCC1CCCCC1,IPOISJNVQWKZBM-UHFFFAOYSA-N
-rxn:4:176242:223785,CCN1CCN(CCOc2ccc(-c3ccccc3C=C3Oc4cc(OC(=O)C5CC5)ccc4C3=O)cc2Cl)CC1,BCCSXCHSYJHIGF-UHFFFAOYSA-N
-rxn:4:176322:226567,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C(=O)C(=O)OC)cc2)C(C)(C)CC1(CC)CC,DWTQIZKUQJVEBL-UHFFFAOYSA-N
-rxn:4:176382:223541,O=S(=O)(c1cc(F)c(F)cc1-c1c(F)cccc1OCC(F)F)N1CCC2(CC1)OCCO2,HFKLOXPESWZELR-UHFFFAOYSA-N
-rxn:4:176505:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)cc(CC(=O)C(F)(F)F)c3)c2)CC1,MVNVELCMYIBQAL-UHFFFAOYSA-N
-rxn:4:176692:223786,CC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)ccc1OC(F)(F)F,QSHSVENEOSCCNF-UHFFFAOYSA-N
-rxn:4:177963:223597,Clc1cc(-c2ccccc2CSC2CCCC2)ccc1OCCN1CCC2(CC1)OCCO2,RJKFSBNWIVKVIQ-UHFFFAOYSA-N
-rxn:4:178164:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(OC(C)C)cc(C(C)C)c3)cc21,XPYDLCOSZJYUFK-UHFFFAOYSA-N
-rxn:4:178364:224986,CC1(C)CC(=O)C(CC(=O)c2ccc(-c3ccc(N4CCCCC4)cc3C#N)cc2)C(=O)C1,SMALLBCEXHRHOI-UHFFFAOYSA-N
-rxn:4:178381:224970,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c(C(C)(C)C)c1,JGWSMOMTTYODTC-UHFFFAOYSA-N
-rxn:4:178384:226730,Clc1nc(OC2CCC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VWGADHJTWNRITA-UHFFFAOYSA-N
-rxn:4:178384:227216,COCCOc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UXEHUOHVODZMML-UHFFFAOYSA-N
-rxn:4:178384:227349,COc1cc(C)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1OC,XSVBTTUWUNRHOG-UHFFFAOYSA-N
-rxn:4:178384:228094,CCCOc1cncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,FCNFPQXWRFBJTB-UHFFFAOYSA-N
-rxn:4:178384:228113,CCc1nc(OC)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ULEOGKGUERNAOV-UHFFFAOYSA-N
-rxn:4:178384:228637,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)cc1F,CMZFPMGENPAQBL-UHFFFAOYSA-N
-rxn:4:178384:229170,Cc1nc(Cl)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VDIHEMQESIQSEM-UHFFFAOYSA-N
-rxn:4:178597:225458,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(-c2ccccn2)c1,WIZDJXJDHMJPPS-UHFFFAOYSA-N
-rxn:4:178597:227322,COc1c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cncc1C(C)C,MPBVIVWTWKYKPF-UHFFFAOYSA-N
-rxn:4:178597:227704,COc1cnc(C(F)F)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,OUWDWLWBVCDNJF-UHFFFAOYSA-N
-rxn:4:178597:228119,CC(C)Sc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,BOVOJYNOGNLRJS-UHFFFAOYSA-N
-rxn:4:179937:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C)ccc1OC(C)C,VIJGHLLTFODLLO-UHFFFAOYSA-N
-rxn:4:180333:223648,COc1c(C)c(C)c(OC)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C,MARQTSNSTIPLNO-UHFFFAOYSA-N
-rxn:4:180691:223712,COc1ccc(-c2cc(OC)c(OC)c3c2CCC3=O)cc1C12CC3CC(CC(C3)C1)C2,RLUYDVWWZFKZSE-UHFFFAOYSA-N
-rxn:4:180792:224197,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCN(CC)CC4)c(F)c3)cc1C2=O,WSDXVPGUJFOADK-UHFFFAOYSA-N
-rxn:4:180792:225043,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OC4CCCCC4)c(F)c3)cc1C2=O,YZBGTEBHMQQTQU-UHFFFAOYSA-N
-rxn:4:180815:224868,COc1ccc(-c2cccc(OCC3CCCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,WQPCNINYATWNPK-UHFFFAOYSA-N
-rxn:4:180815:224959,COc1ccc(-c2ccc(OCC3CCCCO3)cc2)cc1C12CC3CC(CC(C3)C1)C2,MRFMBQAHRRMLSG-UHFFFAOYSA-N
-rxn:4:180856:222602,CC(C)Cc1cc(-c2cccc3c2-c2ccccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c(S(=O)(=O)NC(C)(C)C)s1,BMYBXAJUZPROLL-UHFFFAOYSA-N
-rxn:4:182230:223608,O=C1CCOc2c1cc(C(F)(F)F)cc2-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,JOERGHITVGCAFM-UHFFFAOYSA-N
-rxn:4:182359:224704,COC1CCC2(CC1)Oc1ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc1C2=O,KOOBTQSPGQQIHC-UHFFFAOYSA-N
-rxn:4:182372:223573,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc1C2=O,GSLKVCAUHMRZHM-MGHSXBRPSA-N
-rxn:4:183272:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,NSLWTLYBMFGKAV-UHFFFAOYSA-N
-rxn:4:183273:224159,CC(C)(C)OC(=O)n1ccc2c(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cccc21,ZBRQTNGBECJGKA-UHFFFAOYSA-N
-rxn:4:183274:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,LQJWUNYZQRHWTK-UHFFFAOYSA-N
-rxn:4:183274:228907,COc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1Cl,CLUBQRDIKRDDCB-UHFFFAOYSA-N
-rxn:4:183274:229279,Clc1ncncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,FYAHSMOETGSFQI-UHFFFAOYSA-N
-rxn:4:183539:223767,CCOC(=O)Cc1cc(-c2cc3ccc(C#N)cc3n2C(=O)OC(C)(C)C)cc(C(F)(F)F)c1C#N,YXJMMHDGQXHGIE-UHFFFAOYSA-N
-rxn:4:183540:224257,CCOC(=O)Cc1cc(-c2cc(C(=O)N3CCCCC3C)ccc2Cl)c(C(F)(F)F)cc1C#N,HUHBWMSPTRNLJH-UHFFFAOYSA-N
-rxn:4:183772:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCCC(F)(F)C1,MUAUINMXUMWPLH-UHFFFAOYSA-N
-rxn:4:183790:225128,CCN(Cc1ccc(F)cc1-c1cc(C2(C(=O)OC)CC2)ccc1F)C(=O)OC(C)(C)C,QYOSBIMJDSZCFT-UHFFFAOYSA-N
-rxn:4:183801:226303,CCCC(=O)c1ccc(Cl)c(-c2cc(C)cc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)c1,SMECOJAFXFUZOO-UHFFFAOYSA-N
-rxn:4:183829:224395,CC(C)(C)OC(=O)N(Cc1cc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)ccc1F)C1CC1,FHFKFRZJGUXGBY-UHFFFAOYSA-N
-rxn:4:183866:222655,CCOC(=O)c1c(C)c(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)c(C)n1C(=O)OC(C)(C)C,KOFMHWHBWKXZGF-UHFFFAOYSA-N
-rxn:4:183958:224650,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc(F)ccc3OCC3CCOCC3)cc2)C1,IAMOVFBJPSUFCV-UHFFFAOYSA-N
-rxn:4:183966:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)c1,FKJYBANMLWAEID-UHFFFAOYSA-N
-rxn:4:183986:222404,Cc1cc(-c2ccc(C3NC(=O)NC3=O)cc2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,PCWCVVIEJCTBAB-UHFFFAOYSA-N
-rxn:4:184004:223018,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc5c(c4)NC(=O)C(C)(C)O5)cc3)SC2=S)cc1OC,XENLLHHCKCQVAJ-UHFFFAOYSA-N
-rxn:4:184011:225915,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1ccc(C(F)(F)F)c(OCC)c1,XJFHAKLHYSBYCX-UHFFFAOYSA-N
-rxn:4:184011:226661,CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1-c1cc(N2CCN(C)CC2)cs1,ULTNCTYODWJQAK-UHFFFAOYSA-N
-rxn:4:184066:222466,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1)C1CCCCC1,CLNBYSSMUVLYME-UHFFFAOYSA-N
-rxn:4:184067:227056,COc1cccc(C2CC2)c1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(F)(F)CC2)cc1,GYKBARBSDKBOGY-UHFFFAOYSA-N
-rxn:4:184087:225830,Cc1nc(N2CCCCC2)ncc1-c1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)C2CCS(=O)(=O)C2)o1,ILOLCCLRYVHHFG-UHFFFAOYSA-N
-rxn:4:184094:225745,CC(C)Cc1ccc(-c2ccccc2C(=O)N(Cc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)cc1[N+](=O)[O-],KWQCWDJMTJENPS-UHFFFAOYSA-N
-rxn:4:184100:222396,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)c1,INGAHUSGOAWNLH-UHFFFAOYSA-N
-rxn:4:184112:223948,CCN(CC)C(=O)COc1ccc2ccccc2c1-c1cc(C(=O)OC)cc(C(=O)OC(C)(C)C)c1,RMHOXLWGUXNIFN-UHFFFAOYSA-N
-rxn:4:184222:224743,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c(F)c1,FWXTVYKXHHPTNI-UHFFFAOYSA-N
-rxn:4:184230:223085,CCCCC(CC)CN1C(=O)c2cccc3c(-c4cnc(Cl)c(N5CCC(O)C5)c4)ccc(c23)C1=O,LNPMTAMYOBOPTK-UHFFFAOYSA-N
-rxn:4:184492:224818,CCOC(=O)c1cc(C#N)c(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(C(F)(F)F)c1,UXZOEWOZSODEKD-UHFFFAOYSA-N
-rxn:4:184685:222724,CN(C)C(=O)Cc1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1OC(F)(F)F,XOBOBKYMMBZZSP-UHFFFAOYSA-N
-rxn:4:184738:222804,O=C(c1ccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)cc1OCC(F)(F)F)N1CCC1,RNIYWZUKQCUMFZ-UHFFFAOYSA-N
-rxn:4:184748:224818,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1OCC(F)(F)F)N1CCC1(F)F,VJMHKVZDXVTWBZ-UHFFFAOYSA-N
-rxn:4:184916:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCC4)c(OCC4CC4)c3)cn2)CC1,UCHDGESBGPBGOE-UHFFFAOYSA-N
-rxn:4:184943:224170,CCN(CC)C(=O)C1(c2ccc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cc2)CC1,NRORVIYAJNZSMF-UHFFFAOYSA-N
-rxn:4:184960:223541,CN(Cc1ccccc1)C(=O)Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,KCKGMJIPYICLDW-UHFFFAOYSA-N
-rxn:4:185017:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)cc3CN(C)CC3CCC3)c(F)c2)CC1,XMSJCMNHESHZFM-AFARHQOCSA-N
-rxn:4:185114:228334,CCOc1cnc(F)c(-c2ccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)cc2)c1,JYGQPWXRZZRXRL-UHFFFAOYSA-N
-rxn:4:185117:227336,CC(C)Oc1cc(F)ccc1-c1cccc(S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)c1,MANABBQOSBHAKA-UHFFFAOYSA-N
-rxn:4:185134:224425,CCCC1CCC(c2ccccc2-c2ccc(CCN3CCC(C(=O)OC)CC3)cc2)CC1,RKLTZJRPPLSDBF-UHFFFAOYSA-N
-rxn:4:185135:223029,COC(=O)C1CCN(CCc2cc(-c3ccc(NC(=O)OC(C)C)cc3)ccc2Cl)CC1,SMJOBWVVJOKTGV-UHFFFAOYSA-N
-rxn:4:185137:225566,CC1(COc2ccc(-c3ccccc3CCCN3CCCC(C(F)(F)F)C3)cc2)COC1,XMOQKMYAXOQZHA-UHFFFAOYSA-N
-rxn:4:185143:223636,CC(C)CC(=O)N(c1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1)C1C=CS(=O)(=O)C1,VQYCRYXOBFSFKZ-UHFFFAOYSA-N
-rxn:4:185147:222957,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(C2CCCNC2)c1,BGHSYCRUFXKJRK-UHFFFAOYSA-N
-rxn:4:185184:224656,COc1ccc(-c2ccccc2OCCCN2CCCCC2C)c(F)c1OC1CCCC1,JBNRARWGPYXKBC-UHFFFAOYSA-N
-rxn:4:185187:223872,CCN(C(=O)c1cccc(-c2ccccc2CCCN2CCC(OC)CC2)c1)C1CCCCC1,ZWTVJGOZLKHLDT-UHFFFAOYSA-N
-rxn:4:185200:222443,COC(=O)c1ccc(-c2cc(F)cc(C(=O)NCc3ccc(OC)cc3)c2)c(CN2CCC(OC)CC2)c1,CNKRDGKLZGDTLH-UHFFFAOYSA-N
-rxn:4:185229:225197,O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)c(OC3CCCC3)c(Cl)c2)C1,HTYASKNHOLMJGQ-UHFFFAOYSA-N
-rxn:4:185235:224078,COc1cc(C=C2N=C(c3ccc(-c4cccc5c4ccn5[Si](C)(C)C(C)(C)C)cc3)OC2=O)ccc1OC(C)=O,OHYOBUSPXGXHPM-UHFFFAOYSA-N
-rxn:4:185235:224272,COc1cc(C=C2N=C(c3ccc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)cc3)OC2=O)ccc1OC(C)=O,UFRHGZMZNIOMOZ-UHFFFAOYSA-N
-rxn:4:185236:226715,COc1cc(C=C2N=C(c3ccc(-c4cnn(C(=O)OC(C)(C)C)c4)cc3)OC2=O)cc(Cl)c1OC(C)=O,RECACJUDIJPADU-UHFFFAOYSA-N
-rxn:4:185264:224483,CC(C)(C)OC(=O)CN1CC(c2ccc(-c3ccc(OCCN4CCCCC4)cc3)cc2)OCC1=O,HFKLHXXYVNADAR-UHFFFAOYSA-N
-rxn:4:185268:225562,CC(C)(C)OCc1cc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1F,ZVHVJGBBPHERTL-UHFFFAOYSA-N
-rxn:4:185333:222389,Cc1cccc(CC(=O)N(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)C2C=CS(=O)(=O)C2)c1,PHVFLLYFDRYIFO-UHFFFAOYSA-N
-rxn:4:185358:223194,CCCNCc1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc1,WXCDVKRETWTZQD-UHFFFAOYSA-N
-rxn:4:185376:223138,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccnc(C3CCNCC3)c2)C1,UBXYYFFBJIHXFZ-UHFFFAOYSA-N
-rxn:4:185397:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1ccc(CC(=O)N2CCCC(S(=O)(=O)c3ccc(F)cc3)C2)cc1,ONEIJPCLXKRFBH-UHFFFAOYSA-N
-rxn:4:185397:225587,O=C(Cc1ccc(-c2cccc(CN3CCOCC3)c2)cc1)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1,RCHJRFZCHKYEHU-UHFFFAOYSA-N
-rxn:4:185423:227557,COc1ccc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c(OC)c1Cl,ZDYADMMHWFPOKT-UHFFFAOYSA-N
-rxn:4:185430:226291,CC(C)COc1cc(F)cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc(C(F)(F)F)c2)c1,RMPFPITYXBIHEG-UHFFFAOYSA-N
-rxn:4:185433:227371,COc1c(C)ccc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1OC,NWGOFRKDIXTJPH-UHFFFAOYSA-N
-rxn:4:185547:225975,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4ccnc(N5CCOCC5)c4Cl)ccc3oc2=O)CC1,WQBYQEOLJFDADJ-UHFFFAOYSA-N
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-rxn:4:186221:223638,CCOC(=O)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c(C#N)c1C,JICDAHAFVYYHDA-UHFFFAOYSA-N
-rxn:4:186368:224398,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(S(=O)(=O)N3CCCC3)c(C)cc2F)cc1OC,WVEZYCJSDPUIKO-UHFFFAOYSA-N
-rxn:4:186685:224017,CCOc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F,LPFHZCUSPNFGIO-UHFFFAOYSA-N
-rxn:4:186785:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCC4CCOCC4)c(C#N)c3)cc2)CC1,JWQZOEOPBXVNKI-UHFFFAOYSA-N
-rxn:4:186815:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CCOCC2)cc1OC(F)(F)F,MXLZWSYQEWGBND-UHFFFAOYSA-N
-rxn:4:186819:225258,CCOC(=O)COc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCCC3)c(OC(F)(F)F)c2)c1,ZDEKDRLFCHHWHP-UHFFFAOYSA-N
-rxn:4:186860:223885,Cc1ccc(CN(C)C(=O)C2CC2)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,IVDQXZZMJQMUMV-UHFFFAOYSA-N
-rxn:4:186876:223892,CN1CCN(CCCOc2ccc(-c3ccc(F)cc3OCCN3CCOCC3)cc2)CC1,XKIMYLHSMVFOJR-UHFFFAOYSA-N
-rxn:4:186910:225305,CC(C)(C)S(=O)/N=C/c1cc(C(F)(F)F)ccc1-c1cnc(C2CCC2)c(C(F)(F)F)c1,KMEUZPJRNLXACG-PNQUVVCRSA-N
-rxn:4:186922:226829,Cc1cc(C(F)(F)F)cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)c1Cl,YUAQWCZKYUXNBI-UHFFFAOYSA-N
-rxn:4:186981:222839,CCC(=O)N(c1ccc(-c2ccc(NCC3CCCCC3)nc2)cc1)C1C=CS(=O)(=O)C1,WCDSSIZLNWZGSW-UHFFFAOYSA-N
-rxn:4:187056:224267,O=[N+]([O-])c1ccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc1OCC1CCCCC1,UYKRFENKQAOLNY-UHFFFAOYSA-N
-rxn:4:187081:224621,O=[N+]([O-])c1cc(F)c(OCC2CCCCC2)c(-c2ccc(OCCN3CCSCC3)cc2)c1,ZXRWYXBQBSRMRS-UHFFFAOYSA-N
-rxn:4:187133:224992,COc1ccc(-c2ccccc2CN2CCC(=O)CC2)c(OC)c1C(=O)N1CCSCC1,JDJBEQRFQRTJCC-UHFFFAOYSA-N
-rxn:4:187151:222469,COc1ccc(CNC(=O)c2ccc(-c3cc(F)ccc3CC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc1,SXDDGLCBFQLEFW-UHFFFAOYSA-N
-rxn:4:187154:225454,CN1CC=C(c2ccc(-c3ccc(S(=O)(=O)CC(=O)N4CCC(F)(F)CC4)cc3)cc2)CC1,YKJFRQADXPBGRE-UHFFFAOYSA-N
-rxn:4:187191:224125,CCCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1,HREYAXPWPPYRNM-UHFFFAOYSA-N
-rxn:4:187202:224303,CC(C)(C)OC(=O)N1CC(c2ccc(Cl)c(-c3ccc(O[Si](C)(C)C(C)(C)C)c(F)c3F)c2)C1,QJUDQPAVOKAQDK-UHFFFAOYSA-N
-rxn:4:187248:222541,COC(=O)c1cc(CN2CCCC(F)(F)C2)cc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c1,BZIFQHYMNVPMAM-UHFFFAOYSA-N
-rxn:4:187291:224061,CCCC1CCC(c2ccc(-c3ccc(OC)cc3CN(C)C3CCCC3)c(F)c2)CC1,OCFCUUNBOBVJGM-UHFFFAOYSA-N
-rxn:4:187297:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(CCN3CCC(OC)CC3)cc2)c(F)cc1C,XFELMRHSIFYLGF-UHFFFAOYSA-N
-rxn:4:187311:222856,COc1ccc(C2CCNCC2)cc1-c1cc(Cl)cc(F)c1OCCN1CCCC(C)C1,NBDJJZNXKLMRLU-UHFFFAOYSA-N
-rxn:4:187426:224587,COC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)c(F)c2)ccc1CN1CCC(C)CC1,GAQAUUKDIJWQMR-UHFFFAOYSA-N
-rxn:4:187429:224590,COC(=O)c1cc(CN2CCC(C)CC2)cc(-c2ccc(CN3CCC(C)CC3)cc2F)c1,NEHGZOSTJDADAT-UHFFFAOYSA-N
-rxn:4:187468:224750,O=C(c1ccc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)o1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,UZJYAZOKAPVPSJ-UHFFFAOYSA-N
-rxn:4:187481:223482,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1S(=N)(=O)CC1(C)CCOCC1,YQDHPJVFFGYUBQ-UHFFFAOYSA-N
-rxn:4:187485:224161,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,WWPBUCDUKUWPQK-UHFFFAOYSA-N
-rxn:4:187490:224656,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(OC)c(OC2CCCC2)c1F,OBZOZDMHVAFQQL-UHFFFAOYSA-N
-rxn:4:187493:224668,CCN1CCN(c2cc(F)cc(-c3ccccc3C3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1,KXSJSFJPCRPKNT-UHFFFAOYSA-N
-rxn:4:187536:224372,O=C(c1cc(-c2ccccc2Oc2ccc(C(=O)N3CCCC(F)(F)C3)cc2)cc([N+](=O)[O-])c1)N1CCCC1,ADJVPTBJFZWBMG-UHFFFAOYSA-N
-rxn:4:187543:224588,COc1cc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc(OC)c1CN1CCCC(C)C1,DWVULAHFSRQJJG-UHFFFAOYSA-N
-rxn:4:187550:223076,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1cccc(S(=O)(=O)NC2CC2)c1,FJTNMPRTPKJODZ-UHFFFAOYSA-N
-rxn:4:187566:224589,Cc1ccc(S(=O)(=O)N(c2ccc(-c3ccc(F)cc3CN3CCC(C)CC3)cc2)C2C=CS(=O)(=O)C2)cc1,WYXCRPRHLYNOLG-UHFFFAOYSA-N
-rxn:4:187566:225207,Cc1ccc(S(=O)(=O)N(c2ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3C)cc2)C2C=CS(=O)(=O)C2)cc1,XTFRMAFAVDGYNP-UHFFFAOYSA-N
-rxn:4:187572:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,JDHMAMOZHVSKSI-UHFFFAOYSA-N
-rxn:4:187628:223528,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,XSLHMEKLOWODJF-UHFFFAOYSA-N
-rxn:4:187648:224950,COc1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c(CN2CCCC2)c1,MADFTXFWROEGFW-UHFFFAOYSA-N
-rxn:4:187682:222774,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cccc(-c2ccc(F)c(CN3CCC(O)CC3)c2)c1,SLLXBKHLOTXOGM-UHFFFAOYSA-N
-rxn:4:187685:225619,O=C(c1ccc(-c2ccc(Cl)cc2OC2CCCC2)cc1)c1cccc(CN2CCC3(CC2)OCCO3)c1,QDICQGBYVUDYBA-UHFFFAOYSA-N
-rxn:4:187810:223815,COC(=O)c1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc2c1CCN2CC1CC1,AADZOEZFCONMKF-UHFFFAOYSA-N
-rxn:4:187867:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc4c3CCCN4C(=O)OCc3ccccc3)ccc2OC)CC1,JXQMIFADFYWAPT-UHFFFAOYSA-N
-rxn:4:187883:222610,CCOc1ccc(-c2cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCc2ccccc21,IJUXSVKMFZYPOD-UHFFFAOYSA-N
-rxn:4:187945:226062,COC(=O)C1=Cc2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2N(CC(C)C)CCC1,HWXOEEPWSPPQIN-UHFFFAOYSA-N
-rxn:4:187948:223184,COc1ccc(-c2cnc(N3CCNCC3)nc2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,XZAGSTVRVKHVJD-UHFFFAOYSA-N
-rxn:4:187955:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccccc2C=C2Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)c(F)c(C(F)(F)F)c1,NNMQLOYEGIVLHI-UHFFFAOYSA-N
-rxn:4:187961:224962,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccccc3COC3CCOCC3)cc1)CC(C)(C)CC2=O,DOTBYMTYNQNATJ-UHFFFAOYSA-N
-rxn:4:187969:222639,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cccc21,UPGYCURSYZXQMH-QHCPKHFHSA-N
-rxn:4:187984:224059,COc1c(-c2[nH]c3cc(C(=O)OC(C)(C)C)ccc3c2C2CCCCC2)cc(C(C)(C)C)cc1C(C)(C)C,SPPSZNZJAMZPTE-UHFFFAOYSA-N
-rxn:4:187987:224246,CC1CCN(C(=O)c2ccc(-c3ccc4c(=O)cc(C(=O)N5CCC(Cc6ccccc6)CC5)oc4c3)cc2F)CC1,RHFAXLYTWLZJAC-UHFFFAOYSA-N
-rxn:4:187990:224078,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1,PEFTWJGROKYVIN-UHFFFAOYSA-N
-rxn:4:188191:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c(OC(F)F)ccc([N+](=O)[O-])c3F)cc2)CC1,LIEUETPZEUANPJ-UHFFFAOYSA-N
-rxn:4:188375:223559,COC(=O)Cc1nc(Cl)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,KTQLPFJLZVNDHI-UHFFFAOYSA-N
-rxn:4:189207:224773,Cc1cc(-c2ccc(Cl)c(C(=O)ON3C(=O)CCC3=O)c2)ccc1S(=O)(=O)N1CCCC1,JCTOONLHODXCGX-UHFFFAOYSA-N
-rxn:4:189209:224415,O=C(ON1C(=O)CCC1=O)c1cc(Cl)cc(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)c1,VZADJDOBQCVZOH-UHFFFAOYSA-N
-rxn:4:189357:223591,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1C,BYEFZANAOFSYMU-UHFFFAOYSA-N
-rxn:4:189735:222701,O=C(Cc1ccc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)c(F)c1)N1CCC(F)(F)C1,ALDBGYUGDOUXFV-UHFFFAOYSA-N
-rxn:4:189737:223699,O=C(Cc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F)N1CCC(F)(F)C1,OUQXEIUZDZJTOO-UHFFFAOYSA-N
-rxn:4:189848:224125,CC(=O)N(c1cccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)c1)C1C=CS(=O)(=O)C1,AVOURRPYDKXIJV-UHFFFAOYSA-N
-rxn:4:189866:222807,O=C(NC1CC1)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)cc([N+](=O)[O-])c1,GNOQEWWKEZBHBQ-UHFFFAOYSA-N
-rxn:4:189889:223119,C#CCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)c1,HQSXYDHIOUNNFD-UHFFFAOYSA-N
-rxn:4:189914:223911,CCOC(=O)C1(c2ccc(-c3ccc(F)cc3CCN3CCOCC3)cc2)CCOCC1,DSQIGIUBTXUOTA-UHFFFAOYSA-N
-rxn:4:189944:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cccc(CS(=O)(=O)N4CCOCC4)c3)cc2)CC1,LBNBSLJWPCIWCN-UHFFFAOYSA-N
-rxn:4:189986:223712,COc1cc(CN2CCOCC2)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,MHOIYHFOLYMFDC-UHFFFAOYSA-N
-rxn:4:190019:223525,CN(C(=O)c1cccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)C1CCS(=O)(=O)C1,OCOWTALCQJSEHG-UHFFFAOYSA-N
-rxn:4:190019:224420,Cc1cc2c(cc1-c1cccc(C(=O)N(C)C3CCS(=O)(=O)C3)c1)C(C)(C)CCC2(C)C,HCLSRPSECIJAPP-UHFFFAOYSA-N
-rxn:4:190104:224061,CCCC1CCC(c2ccc(-c3nccc(C4CCCCC4)c3C(=O)OC)c(F)c2)CC1,FVTVAAZQEXVNCF-UHFFFAOYSA-N
-rxn:4:190120:224153,CS(=O)(=O)c1ccc(CN2CCCC2)c(-c2cc(N3CCCC3)cc(N3CCCC3)c2)c1,GEJJXDOXNDCTGW-UHFFFAOYSA-N
-rxn:4:190130:224666,CN1CCN(Cc2cc(-c3ccc(Cl)c(CCN4CCCC(F)(F)C4)c3)ccc2F)CC1,GTLXQYDITXISIK-UHFFFAOYSA-N
-rxn:4:190169:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(F)(F)F)cc2CN2CCCC(F)(F)C2)c(F)c(C(F)(F)F)c1,IXSQSYGMQXIODA-UHFFFAOYSA-N
-rxn:4:190174:227878,CCCCCc1ccc(-c2cc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c(F)cc2F)s1,VXCAIJFXUGKXJL-UHFFFAOYSA-N
-rxn:4:190178:227117,Cc1cc(C2CC2)cc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)c1F,AAUPGXFWVNGJLV-UHFFFAOYSA-N
-rxn:4:190179:224863,CC(C)N(Cc1ccccc1-c1ccc(S(=O)(=O)N2CCC(F)(F)CC2)c(C(F)(F)F)c1)C(C)C,MEWHYCKQEBGJOM-UHFFFAOYSA-N
-rxn:4:190188:223815,COc1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)ccc1CN1CCCCC1,IPTBGDXQPNFKEP-UHFFFAOYSA-N
-rxn:4:190194:222630,COC1CCN(Cc2cccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2Cl)CC1,MVGVBAFQEGBTBX-UHFFFAOYSA-N
-rxn:4:190204:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(CN(C)C4CCOCC4)c(F)c3)c2)CC1,WSOAZMSNDWMPDF-UHFFFAOYSA-N
-rxn:4:190228:224660,CN1CCN(C(=O)c2ccc(-c3ccc(C4CCCN4S(=O)(=O)C4CC4)cc3)cc2)CC1,HWNAWGKUOSMGFR-UHFFFAOYSA-N
-rxn:4:190246:223534,COc1ccc(C=C2N=C(c3ccc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cc3)OC2=O)cc1,FEJGDCFZKCTPEG-UHFFFAOYSA-N
-rxn:4:190259:224319,COc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc(N2CCC(OC)CC2)c1,TVTRDOPFOLOPSG-UHFFFAOYSA-N
-rxn:4:190266:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(F)cc1CC(=O)N1CCCC(C)C1,FBCSYWMHUQBQLD-UHFFFAOYSA-N
-rxn:4:190288:222942,CC1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)c(C(F)(F)F)c2)C1,OFCHSHYRLSYFGQ-UHFFFAOYSA-N
-rxn:4:190298:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C4SC(=S)N(c5ccccc5OC)C4=O)cc3)cc2)CC1,VMMIWMZVQAIPEX-UHFFFAOYSA-N
-rxn:4:190354:226127,CCOc1ccc(C(C)C)cc1-c1cc(C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,HZZDPCPHCXOUNP-UHFFFAOYSA-N
-rxn:4:190365:223814,COC1CCN(Cc2ccc(C)cc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)CC1,JVVCUMHPDLDKKT-UHFFFAOYSA-N
-rxn:4:190381:222826,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)C1,QVMUNLSZNNDWAB-UHFFFAOYSA-N
-rxn:4:190426:222782,Cc1cc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)cnc1NC(=O)OC(C)(C)C,HKDSCXJFMOZNKQ-UHFFFAOYSA-N
-rxn:4:190433:223167,Cc1cc(-c2ccnc(N3CCNCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,JIKAEXRGUPIYJK-UHFFFAOYSA-N
-rxn:4:190440:222589,CC(C)(C)c1cc(CN2CCOCC2)cc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c1,MUYXBHXKZSXNNF-UHFFFAOYSA-N
-rxn:4:190446:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(N3CCCC(C(=O)C(C)C)C3=O)cc1C)n2C(=O)OC(C)(C)C,GDRSBQBKMSIKMA-UHFFFAOYSA-N
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-rxn:4:190468:225212,CN1CCN(c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCSC(c5cc(F)ccc5F)CC4)cc3)c2)CC1,PZOGBPXYWFARJO-UHFFFAOYSA-N
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-rxn:4:190972:225438,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)cc1)N1CCCC1,RHLRUWQWXWTUPW-UHFFFAOYSA-N
-rxn:4:190972:226425,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)s1,RKAFWAQYLLBJQL-UHFFFAOYSA-N
-rxn:4:190988:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc1,GXHDRVGRPAYGMS-UHFFFAOYSA-N
-rxn:4:190989:223712,COC(=O)c1cc2c(c(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c1)N(C(C)C)CCCO2,MHDOGIBIYIMZBN-UHFFFAOYSA-N
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-rxn:4:191027:225201,COC(=O)C1=CN(c2ccc(-c3ccc(OC4CCCC4)c(F)c3F)c(C)c2)c2cc(F)ccc2S1(=O)=O,OZJYCANDVCYRRX-UHFFFAOYSA-N
-rxn:4:191030:222647,Cc1cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)c(C)cc1NC(=O)OC(C)(C)C,HONMDDRVKPCUTE-UHFFFAOYSA-N
-rxn:4:191030:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,JRGVJBGJZWOPAG-UHFFFAOYSA-N
-rxn:4:191030:224930,CCN(CC)Cc1cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)ccc1OC,JDWXMYYASDBDAK-UHFFFAOYSA-N
-rxn:4:191034:223771,COc1ccc2c(c1)cc(-c1ccc3c(c1)CCCN(C(=O)OC(C)(C)C)C3)n2C(=O)OC(C)(C)C,NEDQWGZYEFIJIJ-UHFFFAOYSA-N
-rxn:4:191038:222905,CC1c2ccc(-c3cccnc3NC(=O)OC(C)(C)C)cc2CCN1C(=O)OC(C)(C)C,RGMJJXYSGFTJSD-UHFFFAOYSA-N
-rxn:4:191058:226429,COC(=O)C1CCN(C2CCc3cc(-c4ccc(N5CCCC(C)C5)s4)ccc32)CC1,XTCUCGPAXHOWCS-UHFFFAOYSA-N
-rxn:4:191061:222612,CCc1ccc(CN2Cc3cc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)ccc3OCC2=O)cc1,XABGKQRZNWNDNW-UHFFFAOYSA-N
-rxn:4:191062:227034,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1c(C#N)cccc1C1CC1,VUZROOYKQCXTJY-UHFFFAOYSA-N
-rxn:4:191079:222716,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCC2)c(F)c1)N1CCC(c2ccc3c(c2)CCO3)C1,JDHVRTDYDIHZIW-UHFFFAOYSA-N
-rxn:4:191087:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,IVHBONFUVBWDRT-UHFFFAOYSA-N
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-rxn:4:191103:227078,COc1ccc(C2CC2)c(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,ILPAKTALSMASFW-UHFFFAOYSA-N
-rxn:4:191105:223187,CONS(=O)(=O)c1cccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,LYEQYFXPUJBGMR-UHFFFAOYSA-N
-rxn:4:191105:226254,CCCOc1cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,FRUUHWLNOOZMPM-UHFFFAOYSA-N
-rxn:4:191105:227466,COCCOc1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cn1,HWTCASQPDDMXOH-UHFFFAOYSA-N
-rxn:4:191124:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)ccc2c1,WLMIEHXOZLCTHC-UHFFFAOYSA-N
-rxn:4:191124:227564,COc1ccc(Cl)c(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1OC,WPJGHYCXZNRKDN-UHFFFAOYSA-N
-rxn:4:191125:226544,COC(=O)c1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1,OVZZZZCHPFBWJK-UHFFFAOYSA-N
-rxn:4:191138:223493,CCc1ccccc1N1C(=O)C2C(c3ccc(-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,JQLHHSBLZLWEIS-UHFFFAOYSA-N
-rxn:4:191172:225808,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5cc(OC6CCCC6)ncc5F)cc4)cc1c32,FEOLOQAYTOBZBO-UHFFFAOYSA-N
-rxn:4:191194:222636,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)ccc(c23)C1=O,ZDCXVLZOYCHVDX-HSZRJFAPSA-N
-rxn:4:191195:228984,Cc1ccc(C)c(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,WHGUDQJZBGPPOT-UHFFFAOYSA-N
-rxn:4:191195:228986,Cc1cccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1C,MXCKKACWACHOTF-UHFFFAOYSA-N
-rxn:4:191195:229078,COc1cncc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,KCPJMMUMDJGBKO-UHFFFAOYSA-N
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-rxn:4:192591:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)N4CCC4)ccc3F)c(F)cc2C)CC1,AIJGKCWRLDBUSY-UHFFFAOYSA-N
-rxn:4:192639:223831,COc1ccc(-c2cc(C(=O)N3CCC3)cc(F)c2F)cc1S(=O)(=O)N1CCC(C)CC1,WWCYHVMRGMOVHN-UHFFFAOYSA-N
-rxn:4:192820:222693,O=S(=O)(NC1CCCCC1)c1ccc(-c2cc(S(=O)(=O)N3CC(F)(F)C3)ccc2F)cc1,NIVVEKGDIGXDIH-UHFFFAOYSA-N
-rxn:4:193191:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCCC2)c1,MIWRGASRBMUHBT-UHFFFAOYSA-N
-rxn:4:193400:224198,CCN1CCN(Cc2ccc(-c3ccc(C4CCOCC4)nc3C(F)(F)F)c(F)c2)CC1,PTAKTYMKQNLDOM-UHFFFAOYSA-N
-rxn:4:193448:223834,Cc1cccc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c1C(=O)N1CCCC1,IZLJFMFMNYDWDN-UHFFFAOYSA-N
-rxn:4:193455:223474,COc1ncc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C1CCCOC1,DVPYLSWEJJONIB-UHFFFAOYSA-N
-rxn:4:193503:223841,Cc1cc(F)c(-c2ccc(S(C)(=O)=O)c(C3=NOCC3)c2C)cc1S(=O)(=O)N1CCN(C)CC1,RQAJWXKLYLOSNS-UHFFFAOYSA-N
-rxn:4:193509:222722,O=C(c1ccc(F)c(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1)N1CCS(=O)(=O)CC1,NGOGSPQEIHCPLA-UHFFFAOYSA-N
-rxn:4:193510:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(F)c2)ccc1F,VRUWIHKGUACICC-UHFFFAOYSA-N
-rxn:4:193517:224394,Cc1ccc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2F)cc1S(=O)(=O)N1CCOCC1,DUABFDMPJIWDGH-UHFFFAOYSA-N
-rxn:4:193532:223482,O=S(=O)(c1cc(-c2cncc(CC3CCCCC3)c2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,WPJSSQYYKFVSJD-UHFFFAOYSA-N
-rxn:4:193559:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1S(=O)(=O)NC1CCCC1,KRBXIPSRKYWUBV-UHFFFAOYSA-N
-rxn:4:193665:222466,Cc1cc(OC2CCCCC2)ncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,BHDFPSNRMUVDCV-UHFFFAOYSA-N
-rxn:4:193675:223474,c1ccc(COc2ccc(-c3ccc(C4CC4)cc3N3CCCC3)cc2C23CC4CC(CC(C4)C2)C3)cc1,IWNIIBDMJZSDNY-UHFFFAOYSA-N
-rxn:4:193689:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1C,MVYWETDGBABDKW-UHFFFAOYSA-N
-rxn:4:193697:222724,CS(=O)(=O)N1C=CC(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,GJPVGZMCSHVROQ-UHFFFAOYSA-N
-rxn:4:193746:223712,COc1ccc(-c2ccc(C3CC3)c(N3CCOCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,LRBLPDQDUKRYDS-UHFFFAOYSA-N
-rxn:4:193775:222751,Cc1ccc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)cc1NC(=O)OC(C)(C)C,HAKYAPWLTDMSEJ-UHFFFAOYSA-N
-rxn:4:193775:224421,CC(C)c1cc(C(C)C)c(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)c(C(C)C)c1,VKJDYNGYCXUYSK-UHFFFAOYSA-N
-rxn:4:193786:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(CN4CCCCCC4)c3)ccc2C)CC1,VPPAAPUNLGITAX-UHFFFAOYSA-N
-rxn:4:193834:224378,Cc1cc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCCCC1,BBVDTGLSCYKVGV-UHFFFAOYSA-N
-rxn:4:193837:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C)c(F)c2)CC1,QTVZCDJMOBRDMJ-UHFFFAOYSA-N
-rxn:4:193840:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(S(=O)(=O)N2CCCC(C)C2)c1,JOFDWVMHOCSSLD-UHFFFAOYSA-N
-rxn:4:193842:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(S(=O)(=O)N2CCCCC2C)c1,IMKBYDPLQOLFSV-UHFFFAOYSA-N
-rxn:4:193844:223785,CCN1CCN(CCOc2ccc(-c3cc(C)cc(S(=O)(=O)N4CCCCC4)c3)cc2Cl)CC1,QRSOCMLDFCGKMX-UHFFFAOYSA-N
-rxn:4:193935:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C(=O)N4CCC5(CC4)OCCCO5)o3)cc21,CGVVCYLPHUXUAB-UHFFFAOYSA-N
-rxn:4:193964:224782,Cc1cc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)cc(S(=O)(=O)N2CCC(C)CC2)c1,HQAHSQYIGJBKDL-UHFFFAOYSA-N
-rxn:4:193966:223638,Cc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,ISXYPKGSINIJBC-UHFFFAOYSA-N
-rxn:4:194003:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1,IGYKWPKYRXMGAB-UHFFFAOYSA-N
-rxn:4:194370:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc4c3CN(C(=O)C(F)(F)F)CC4)cc2)CC1,AGLFTFLAQQCPSC-UHFFFAOYSA-N
-rxn:4:194621:224405,CC(C)CN1Cc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)ccc2OCC1=O,IVPLKEHUYUFOPH-UHFFFAOYSA-N
-rxn:4:194638:222603,COc1cc(-c2ccc3c(c2)CN(CC2CCCC2)C3)c(Cl)cc1NC(=O)OC(C)(C)C,NZFNNDHQNWSWLT-UHFFFAOYSA-N
-rxn:4:194686:226602,CC(C)Oc1cc(F)c(-c2ccc3c(c2)C(=O)CC32CCN(C(=O)C(F)(F)F)CC2)cc1Cl,QXTBYSDWPKXASM-UHFFFAOYSA-N
-rxn:4:194697:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)C(=NS(=O)C(C)(C)C)CCC3)cn2C(=O)OC(C)(C)C,VRSFYKXBGJZHIE-UHFFFAOYSA-N
-rxn:4:194764:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)o2)CC1,XSPBVCBUUNZVKG-UHFFFAOYSA-N
-rxn:4:194768:223812,COC1CCN(C2CCCc3cc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)ccc32)CC1,SOWCBSCWKBFUHL-UHFFFAOYSA-N
-rxn:4:196796:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cc(N4CCC(F)(F)C4)c3)ccn2)CC1,GAKQIVOWXMRMOF-UHFFFAOYSA-N
-rxn:4:196936:223489,CC1SCC(=O)N(c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)C1=O,KAUMUJVNCRAAFR-UHFFFAOYSA-N
-rxn:4:197294:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(F)(F)F)c4c(Cl)ccnc34)c2)CC1,PMBMVGFMTFUGBR-UHFFFAOYSA-N
-rxn:4:197806:223695,CC(C)N1C(=O)COc2c(F)cc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc21,UAMWXIIAXJEHKO-UHFFFAOYSA-N
-rxn:4:197950:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)C(N1CCCC(F)(F)C1)CC2,HXINPBRIKGPJRV-UHFFFAOYSA-N
-rxn:4:197961:223712,COc1ccc(-c2ccc3c(c2)C2(OCCCO2)C(=O)N3C(C)C)cc1C12CC3CC(CC(C3)C1)C2,WFEWBBJNQPDBRE-UHFFFAOYSA-N
-rxn:4:197966:222675,COc1cc(-c2ccc3c(c2)CCC3N2CCC(C)CC2)ccc1NC(=O)OC(C)(C)C,NLWJDTOLUYBLCL-UHFFFAOYSA-N
-rxn:4:197981:223697,Cc1ccc(N2Cc3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)ccc3OC(C)C2=O)cc1,UAAAQOQFXUAQES-UHFFFAOYSA-N
-rxn:4:198180:223480,Cc1cc(-c2nc(F)ccc2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LGPZUAJDCNRYDG-UHFFFAOYSA-N
-rxn:4:199336:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C3(CCOCC3)C(=O)N4C)c(F)c2)CC1,CHNTULJDTVZUGX-UHFFFAOYSA-N
-rxn:4:199539:222855,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(OC)cc(C3CCCNC3)c2)cc1,PXOUNEXNVQOBST-UHFFFAOYSA-N
-rxn:4:199555:225059,CC1CCN(c2ccc(-c3cc(C#N)ccc3OC3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)CC1,ADBNWUNHGJXJBA-UHFFFAOYSA-N
-rxn:4:199565:223533,Cn1ccnc1SCc1cc(=O)c(OC(=O)c2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)co1,VTDOXJPCGSYDJA-UHFFFAOYSA-N
-rxn:4:199571:223583,COC(=O)c1ccc2c(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)nc3)cn(C(=O)OC(C)(C)C)c2c1,RVPRCLUBJAPXON-UHFFFAOYSA-N
-rxn:4:199575:224758,O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(C(F)(F)F)CC2)cc1Cl)N1CCOCC1,JCHCPKGLKCJQEA-UHFFFAOYSA-N
-rxn:4:199649:226548,COC(=O)Cc1ccc(-c2cnc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)c(Cl)c1,JJCFTPYGARNFPD-UHFFFAOYSA-N
-rxn:4:199730:225173,COC(=O)c1ccc(C(=O)N2CCC(Oc3ncccc3-c3ccc(C(=O)N4CCCC4)cc3F)CC2)cc1,DSOVUADAKTZCOL-UHFFFAOYSA-N
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-rxn:4:202526:225799,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cncc(OC3CCOCC3)c2)cc1,ZBXZZSUOLBGTBC-UHFFFAOYSA-N
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-rxn:4:202674:223928,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cnc21,UKRRQVXCNODUBM-UHFFFAOYSA-N
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-rxn:4:202685:224490,O=C(CCn1ccc2cc(-c3ccccc3OCCN3CCCCC3)ccc21)N1CCC2(CC1)OCCO2,JPUPRGXULHNHIV-UHFFFAOYSA-N
-rxn:4:202703:225010,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(CN4CCCCC4)c3)ccc21,YJNPEPWKTIZDLE-UHFFFAOYSA-N
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-rxn:4:202807:224482,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1,JOECLHWQBAXCPQ-UHFFFAOYSA-N
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-rxn:4:203564:223916,COC(=O)c1cnn(C2CCCCO2)c1-c1ccc(C(=O)N2CCN(C(C)C)CC2)cc1,MFJRZZLYBRLPAJ-UHFFFAOYSA-N
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-rxn:4:203712:224992,O=C1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)CC1,SFJUCNKLUFWJNT-UHFFFAOYSA-N
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-rxn:4:203739:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(CC(F)(F)F)CC4)cc3)cc2)CC1,DCQOCLPXBNUVCM-UHFFFAOYSA-N
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-rxn:4:203881:224398,Cc1cc(F)c(-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)cc1S(=O)(=O)N1CCCC1,XTNFGYHIJOAFPN-UHFFFAOYSA-N
-rxn:4:203885:222817,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)NC4CC4)ccc3OC)c2)CC1,DOCOQQWGWLJPCF-UHFFFAOYSA-N
-rxn:4:203897:222389,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)CC1,NIQNAXFPXUPXDA-UHFFFAOYSA-N
-rxn:4:203906:224719,COC(=O)c1cc(F)c(N2CCN(C)CC2)cc1-c1cn(C(=O)OC(C)(C)C)nc1C(C)C,DJDDUPVFWNSCSF-UHFFFAOYSA-N
-rxn:4:203914:225294,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3C(F)(F)F)cn2)CC1,PYUNYFDFSLGPTC-UHFFFAOYSA-N
-rxn:4:203920:223712,COc1ccc(-c2cccc(CN3CCN(C)CC3)c2OC)cc1C12CC3CC(CC(C3)C1)C2,LHPJSMFMHFHAEC-UHFFFAOYSA-N
-rxn:4:203936:224371,COC(=O)C1CCN(c2ncc(-c3ccc(OC)c(S(=O)(=O)N4CCN(C)CC4)c3)cn2)CC1,ROGRXCMEQLUBDY-UHFFFAOYSA-N
-rxn:4:203957:224407,CC(C)C(=O)N1CCN(c2cccc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)c2)CC1,POEBCWNRUCXOMN-UHFFFAOYSA-N
-rxn:4:203972:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)c1,PJUWZZDRUVVIPC-UHFFFAOYSA-N
-rxn:4:204010:222716,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)n2)CC1,AUSGGASZRQTULL-UHFFFAOYSA-N
-rxn:4:204014:225212,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(F)cc(N4CCN(C)CC4)c3)c2)CC1,RBEJSURSHILKOP-UHFFFAOYSA-N
-rxn:4:204023:223557,CC(C)N1CCN(Cc2c(F)cc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2F)CC1,WULZULYKTPXKNM-UHFFFAOYSA-N
-rxn:4:204028:222819,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2ccc(NC(=O)N3CCOCC3)nc2)c1,BCFMASMCNGPTPG-SFHVURJKSA-N
-rxn:4:204052:224656,COc1ccc(-c2cccc(N3CCN(C(C)C)CC3)c2OC)c(F)c1OC1CCCC1,QGSGFPRMGIVPHY-UHFFFAOYSA-N
-rxn:4:204055:226780,COc1c(F)cc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)c(OC)c1Cl,RABOCFACAPZCFB-UHFFFAOYSA-N
-rxn:4:204109:222740,CC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(C2CCCNC2)n1,GGNROONIZVTRTE-UHFFFAOYSA-N
-rxn:4:204123:224316,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C(=O)N5CCN(C)CC5)c4)cc3)CC2)cc1,ZEZNUICBRNXLDT-UHFFFAOYSA-N
-rxn:4:204148:224949,COc1ccc(-c2ccc(CN3CCCC(C)C3)c(N3CCCC3)c2)cc1CN1CCCC1,CRDODWMZVHNCSF-UHFFFAOYSA-N
-rxn:4:204149:222582,CC1CCN(Cc2ccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cc2N2CCCC2)CC1,APSKRMAOPNGQGF-UHFFFAOYSA-N
-rxn:4:204152:223078,CCNS(=O)(=O)c1ccc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)c(C)c1,KXFSVIFBEAOUJP-UHFFFAOYSA-N
-rxn:4:204156:224806,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4F)cc3)CC2)c1,QKZSXUNTCMFSJJ-UHFFFAOYSA-N
-rxn:4:204170:226713,COCCOc1cc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)c(F)cn1,VVVSGUUIWDVIQN-UHFFFAOYSA-N
-rxn:4:204173:225312,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(N2CCCN(C)CC2)nc1,HYFHCEPARBJFRQ-UHFFFAOYSA-N
-rxn:4:204174:225312,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCN(C)CC5)nc4)cc3C)CC2)cc1Cl,VSOCAMZILUDDDS-UHFFFAOYSA-N
-rxn:4:204180:225833,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccnc(N5CCCCC5)c4F)c(C)cc3C)CC2)c(C)c1,RDBZZDUMGAJDSH-UHFFFAOYSA-N
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-rxn:4:204551:222466,COC(=O)C1C2CCC1CN(c1nc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cs1)C2,CVCZPSRLHOQFGX-UHFFFAOYSA-N
-rxn:4:204596:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1,ZVPOGYGTOXLSNA-UHFFFAOYSA-N
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-rxn:4:204659:225367,CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cnc(N4CCC(F)(F)CC4)nc3)cnc12,ABDOLBYSPQTZTG-UHFFFAOYSA-N
-rxn:4:204695:227705,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cnc(C(F)F)cc2OC)c1,ZLTGRKXPCQIHJW-UHFFFAOYSA-N
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-rxn:4:204740:228372,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(F)c(C#N)cc3F)ccc21,GOUSQQKJIVODTG-UHFFFAOYSA-N
-rxn:4:204764:223239,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cncc(C4CCCN4)c3)cc2)C1,JMGNGTBCUNVNKZ-UHFFFAOYSA-N
-rxn:4:204780:223287,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc1,DWORACLRYPCXKA-UHFFFAOYSA-N
-rxn:4:204786:224405,O=C(C1=CN(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)c2)c2ccccc2S1(=O)=O)N1CCCC1,SCIMFWLCQJUTSF-UHFFFAOYSA-N
-rxn:4:204796:223167,O=C(C1=CN(c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,ZZWGIMPSJRDZTH-UHFFFAOYSA-N
-rxn:4:204799:223167,O=C(C1=CN(c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,XGXQEBDVINZKFP-UHFFFAOYSA-N
-rxn:4:204809:227185,CN1CCOc2ccc(-c3cccc(N4C=C(C(=O)N5CCOCC5)S(=O)(=O)c5ccc(F)cc54)c3)cc21,LECMSOPNWLZHKO-UHFFFAOYSA-N
-rxn:4:204830:226661,CN1CCN(c2csc(-c3cccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccccc54)c3)c2)CC1,WSQIBRZPRKLNQB-UHFFFAOYSA-N
-rxn:4:204833:224991,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1cc(C2CC2)nc(N2CCCC2)c1,PMGHUYJFDYUMQN-UHFFFAOYSA-N
-rxn:4:204834:227369,O=C(C1=CN(c2cccc(-c3cc(F)ccc3OC3CC3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,RPBVYJBYGHNFOU-UHFFFAOYSA-N
-rxn:4:204866:223971,CC1CCN(C(=O)C2=CN(c3ccc(-c4cc(N5CCC(C)CC5)cc(C(F)(F)F)c4)cc3)c3ccccc3S2(=O)=O)CC1,IDDHSLWPKNGKBY-UHFFFAOYSA-N
-rxn:4:204866:224821,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccc(F)c(S(=O)(=O)N5CCCC5)c4)cc3)c3ccccc3S2(=O)=O)CC1,NTVVXHUZTUJMKC-UHFFFAOYSA-N
-rxn:4:204879:223529,CCOC(=O)c1cc2n(n1)CCOc1cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc1-2,SVFYICSDBMHORE-UHFFFAOYSA-N
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-rxn:4:206666:223845,CCc1nc(N2CCCCC2)sc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,AVZGMOGLUXOSTP-UHFFFAOYSA-N
-rxn:4:206692:222538,FCC1CCCN(c2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2Cl)C1,VJXSBHBQKGKHEO-UHFFFAOYSA-N
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-rxn:4:206737:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)CC1,SDMMFLIMHLHUCW-UHFFFAOYSA-N
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-rxn:4:206930:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(F)cc(CN2CCN(C)CC2)c1,NYIYXXCKXLHRON-UHFFFAOYSA-N
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-rxn:4:207796:222693,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)ccc3oc2=O)CC1,NPHLYHFMJKZKCR-UHFFFAOYSA-N
-rxn:4:207796:224325,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)ccc3oc2=O)CC1,WJAGWXBHZPMEEU-UHFFFAOYSA-N
-rxn:4:207796:224771,Cc1ccc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCN(C)CC4)cc3c2)cc1S(=O)(=O)N1CCCC1,QVWPTCZCPNRRPB-UHFFFAOYSA-N
-rxn:4:207890:222948,Cc1c(-c2cnc(N3CCC(O)CC3)nc2Cl)cnn1CC12CC3CC(CC(C3)C1)C2,KMIYQIGBDSHRRG-UHFFFAOYSA-N
-rxn:4:207890:225047,Cc1cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cnc1N1CCC(C)CC1,JRQNLUGAPBZSKT-UHFFFAOYSA-N
-rxn:4:210094:223497,CC(c1ccc(-c2cnc(C(F)(F)F)c3cc[nH]c23)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,BHBZIXSHXNXTIG-UHFFFAOYSA-N
-rxn:4:210620:223539,COc1ccc(-c2cnn(C)c2C23CCCC2O3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,YHNVRYXQIBOMEA-UHFFFAOYSA-N
-rxn:4:210681:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4=CSC5=NCCN45)cc3)c2)CC1,RBZJTWZHFKFLFF-UHFFFAOYSA-N
-rxn:4:211034:223570,Cc1cc(N2CC3C(C2)C3(C)C)ncc1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,YMZWEGRENBLKSZ-UHFFFAOYSA-N
-rxn:4:211068:224689,N#CC1=C2CCCN2c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)ccc2S1(=O)=O,ATVZDWYQRRHDFQ-UHFFFAOYSA-N
-rxn:4:211073:222774,N#CC1=C2CCCCN2c2cc(-c3ccc(F)c(CN4CCC(O)CC4)c3)ccc2S1(=O)=O,ARZMWQMPWOYGGE-UHFFFAOYSA-N
-rxn:4:212581:225310,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3cc(C(F)(F)F)c(Cl)cc3C3CC3)cc2)cc1,OVDCSXBBERCLLO-UHFFFAOYSA-N
-rxn:4:212598:223482,COc1ccc(CC(=O)N2CCC(Oc3ncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)C2)cc1,MGEMWNRGISPQRW-UHFFFAOYSA-N
-rxn:4:212605:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,WYXFQMIGZCZHDF-UHFFFAOYSA-N
-rxn:4:212606:223042,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC(C)C)c(Cl)c3)cn2)C1,BUFYDJNYFQWWDT-UHFFFAOYSA-N
-rxn:4:212631:223927,C[Si](C)(C)CCOCn1c(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)cc2cccnc21,SHYCFIRFNKSPBF-UHFFFAOYSA-N
-rxn:4:212636:224603,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cccc4c3cnn4C3CCCCO3)cn2)CC1,XFVSXYPNRFZGRG-UHFFFAOYSA-N
-rxn:4:212639:223167,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccnc(N4CCNCC4)c3)c2)CC1,FBKQMMKDPLXFEJ-UHFFFAOYSA-N
-rxn:4:212650:225975,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,MNWCBLJSPXHQRP-UHFFFAOYSA-N
-rxn:4:212694:226844,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccnc(C(=O)C(F)(F)F)c3)CC2)C1=O,PSUXFCPEPJRFQO-UHFFFAOYSA-N
-rxn:4:212697:222857,COc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)Cc4cccc(C)c4)C3)nc2)cc(C2CCNCC2)c1,JEAHDGOHSIZYCD-UHFFFAOYSA-N
-rxn:4:212709:225804,CCOC(=O)c1c(-c2ccc(C(=O)N3CCC3)c(F)c2)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,NPPHNDZKMMGNPN-UHFFFAOYSA-N
-rxn:4:212723:222389,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)CC3)n2)cc1,QZSILHSDELEJRP-UHFFFAOYSA-N
-rxn:4:212728:222890,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(OC)nc(C6CCCNC6)c5)cc4)CC3)n2)c1,HPOKGEWAVLFPHS-UHFFFAOYSA-N
-rxn:4:212736:226817,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(-c4ccnc(Cl)n4)cs3)cc2N2CCCC2)CC1,IRCVKTLGJQQPBP-UHFFFAOYSA-N
-rxn:4:212745:223606,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2)CCN1C(=O)OC(C)(C)C,YZEMQDUSLHWSDC-UHFFFAOYSA-N
-rxn:4:212793:222447,COc1ccc2c(c1-c1ccc3nc(N(Cc4cccnc4)C(=O)c4ccc(C(C)=O)cc4)sc3c1)N=C(NC(=O)OC(C)(C)C)C2,SVKFLZCHRQAEAI-UHFFFAOYSA-N
-rxn:4:212814:228918,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cnccc2C(F)F)C1(C)C,MLLJZKVQDBVKHD-UHFFFAOYSA-N
-rxn:4:212836:222598,Cc1cc(-c2ccc(C3=NN(C(=O)CSc4cn(C)c5ccccc45)C(c4ccc(F)cc4)C3)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,LDHNWHNAKAQHPD-UHFFFAOYSA-N
-rxn:4:212839:226551,CCOc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(Cl)c1OC,JLASMFXLFJKQFL-UHFFFAOYSA-N
-rxn:4:212839:228356,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(Cl)nc4C(C)C)ccn23)CC1,URMIQKZJEIBJJF-UHFFFAOYSA-N
-rxn:4:212845:224769,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(N6CCCC6)cc5C(F)(F)F)c4)n(Cc4ccco4)c(=O)c23)C1,RQIIAFWSRFBANG-UHFFFAOYSA-N
-rxn:4:212917:224570,COC(=O)CN1CCC(Cn2cc(-c3ccc(C(C)N4CCN(C)CC4)cc3)cn2)CC1,HSVCLXQTISZQOA-UHFFFAOYSA-N
-rxn:4:212917:225200,COC(=O)CN1CCC(Cn2cc(-c3ccc(F)c(OC4CCCC4)c3F)cn2)CC1,OAVRNLDFLGYEGV-UHFFFAOYSA-N
-rxn:4:212988:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cs3)cc2)CC1,SVOZAAGVYZHFNM-UHFFFAOYSA-N
-rxn:4:212993:222883,CCOC(=O)C1(C)CCN(C(=O)c2ncc(-c3ccc(C(=O)NC(C)(C)C)cc3Cl)cn2)CC1,GPZGQJDUPICRKS-UHFFFAOYSA-N
-rxn:4:213007:224666,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(CN5CCN(C)CC5)c4)cn3)C2)cc1F,UPZCXCFAXDVFNO-UHFFFAOYSA-N
-rxn:4:213010:225979,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,RBBRSZIIGVQJNI-SFHVURJKSA-N
-rxn:4:213037:224745,CC(C)CCN1CCC(Oc2ncc(-c3cc(C(=O)OC(C)(C)C)c(Cl)cc3F)cn2)CC1,WYHMTDXZXNESBT-UHFFFAOYSA-N
-rxn:4:213038:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CULIFNFLSJSOCK-UHFFFAOYSA-N
-rxn:4:213053:227464,CCCCSc1ncc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cn1,YTEUKIHHVWXGGN-UHFFFAOYSA-N
-rxn:4:213058:224198,CCN1CCN(Cc2ccc(-c3cnc(OC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)c(F)c2)CC1,ISOHKUVPMVMLFR-UHFFFAOYSA-N
-rxn:4:213077:226844,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c(C(F)F)n2)CC1,KKGYJAZYYALUCC-UHFFFAOYSA-N
-rxn:4:213147:225035,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(F)ccc3OC3CCCCC3)c2)CC1,BONQLSGTWSOREV-UHFFFAOYSA-N
-rxn:4:213164:222584,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,RMNRDZASOXBZBB-UHFFFAOYSA-N
-rxn:4:213165:223520,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,SABKVLBNYVQWIR-UHFFFAOYSA-N
-rxn:4:213174:223920,Cc1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4Cl)cc3)CC2)nn1,NSFCNSYVFFQHOD-UHFFFAOYSA-N
-rxn:4:213179:224686,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4ccc(C(=O)N5CCCCC5)cc4F)c3)CC2)nn1,NWSYIYCPKGOOAF-UHFFFAOYSA-N
-rxn:4:213196:222584,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,RCXQIBFOPVIRTM-UHFFFAOYSA-N
-rxn:4:213205:225159,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)N5CCOCC5)c4)cc3)C2)nc1,BEFFLQHEFALFBA-UHFFFAOYSA-N
-rxn:4:213213:224821,CN(c1cccc(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,YFPHSSXRHPIHMX-UHFFFAOYSA-N
-rxn:4:213215:227230,CCCOc1ncc(C)cc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,DNJMYYJQXDOONB-UHFFFAOYSA-N
-rxn:4:213216:226477,CCCCOc1ncc(Cl)cc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,DTMBIYSFGNNCKV-UHFFFAOYSA-N
-rxn:4:213216:227564,COc1ccc(Cl)c(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1OC,YGZBCBGLCFWXBE-UHFFFAOYSA-N
-rxn:4:213226:223844,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c2)[nH]1,AVWKLHHWUDKUFA-VWLOTQADSA-N
-rxn:4:213226:224351,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c2)[nH]1,RTSAQVNHASBYHZ-PMCHYTPCSA-N
-rxn:4:213231:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cc(F)ccc1CC(=O)N1CCC(N(C)c2ccccn2)CC1,COWCWQNNZIBQCB-UHFFFAOYSA-N
-rxn:4:213257:226275,Cc1cc(-c2c(C)nn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2C)cnc1OCC(C)C,RYAPCOSFSPRQDX-UHFFFAOYSA-N
-rxn:4:213260:222442,O=S1(=O)CCC(CN2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cn3)C2)CC1,TZEDQFGIIODJJM-UHFFFAOYSA-N
-rxn:4:213266:228440,COc1cc(Cl)c(F)c(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)c1,UDSFIQFNNPGCCW-UHFFFAOYSA-N
-rxn:4:213271:222874,COc1ccc(-c2ccc(Cl)c(C(=O)NC(C)(C)C)c2)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,FWJAAYHOKXGDNW-UHFFFAOYSA-N
-rxn:4:213274:224317,CN1CCN(C(=O)c2ccc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCOC(c6ccccc6)C5)n4)cc3)c(F)c2)CC1,PRNBRJSZACLONA-UHFFFAOYSA-N
-rxn:4:213305:222573,CC(=O)N(CCN(C)C)c1nc2ccc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cc2s1,YESWTTAOGVSUSI-UHFFFAOYSA-N
-rxn:4:213387:225564,COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)c1,IBYSVZOIMCOOGO-UHFFFAOYSA-N
-rxn:4:213406:222720,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCNCC5)cc4C(F)(F)F)cc3s2)CC1,XSFLQTUAKPPBRR-UHFFFAOYSA-N
-rxn:4:213480:224244,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)N5CCC(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,MSMFQPCGYULXBP-XYCNDIFFSA-N
-rxn:4:213480:224663,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCN(C)CC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YEOQKIHMSZULJM-RDPIHECBSA-N
-rxn:4:213480:226420,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(N5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LKQWPKWLNKEWOQ-CPPXEKLYSA-N
-rxn:4:213481:223047,COC12CC(COC(=O)c3cncc(-c4cc(F)cc(C(=O)NC5CC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,DLKNOJJCKRPLDT-UHFFFAOYSA-N
-rxn:4:213581:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCCN4CCOCC4)nc3)cc2F)CC1,JQGFCFPIFVQTAF-UHFFFAOYSA-N
-rxn:4:213613:222439,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)o1)N1CCC(Oc2cnccn2)C1,ZUYSUVUVIJJXFS-UHFFFAOYSA-N
-rxn:4:213641:223841,Cc1cc(F)c(-c2ccc(C(=O)N3CC(Cn4cc(Cl)cn4)C3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,OQVIPAXDJLAKIA-UHFFFAOYSA-N
-rxn:4:213653:226431,O=C(c1cncc(-c2ccc(N3CCCC3)c(F)c2)c1)N1CC(CN2C(=O)COC2=O)C1,DKCISGWAWNWPMU-UHFFFAOYSA-N
-rxn:4:213657:224283,CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)cn2)CO1,DUVZGQROOHUNEW-MRXNPFEDSA-N
-rxn:4:213659:222584,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,BNVYGNGMYUUOBM-UHFFFAOYSA-N
-rxn:4:213692:222634,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cn1,BBIFOIUGYJQENL-UHFFFAOYSA-N
-rxn:4:213718:223712,COc1ccc(-c2cnn(CC3CN(CC4COCCO4)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,ATHIIAJVPXDIPQ-UHFFFAOYSA-N
-rxn:4:213756:223080,CC(C)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,PILTUIGVDIVBSF-UHFFFAOYSA-N
-rxn:4:213782:223482,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCN(Cc2ccncc2)CC1,SSOLOKSWACDUIJ-UHFFFAOYSA-N
-rxn:4:213820:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(Oc5ncccc5Cl)CC4)c3)cc2F)CC1,UZZSCRPQTYIFSH-UHFFFAOYSA-N
-rxn:4:213821:224180,CN1CCN(CCOc2ccccc2-c2ccc(Cl)c(C(=O)N3CCC(Oc4cnccn4)CC3)c2)CC1,HTDILJUIEMOESS-UHFFFAOYSA-N
-rxn:4:213838:224322,CC1CCN(S(=O)(=O)c2ccc(-c3c[nH]nc3C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,NEVUQVNDQPVQNT-UHFFFAOYSA-N
-rxn:4:213840:222912,CC(C)CNS(=O)(=O)c1ccc(-c2nccn2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,PANAQASNYUAOOK-UHFFFAOYSA-N
-rxn:4:213840:226002,CC(=O)Oc1cc(-c2nccn2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-],WAPLIZZKSLBPSG-UHFFFAOYSA-N
-rxn:4:213863:222693,O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1,RCYMJAOZKXHHTD-UHFFFAOYSA-N
-rxn:4:213878:224286,CC(C)(C)OC(=O)N1CC2(CC(n3cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)C2)C1,QDSNKHISIVDZJU-UHFFFAOYSA-N
-rxn:4:213880:224078,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)CC1,LRYVLSNTCRYGKG-UHFFFAOYSA-N
-rxn:4:213886:226428,CC1CCCCN1c1csc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,CQXLREYMSRZNFO-UHFFFAOYSA-N
-rxn:4:213892:222886,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(N3CCNCC3)cc2C#N)CC1,AMQMADHMZTYENU-UHFFFAOYSA-N
-rxn:4:213900:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc1,ZDVJRPFLXKAGCV-UHFFFAOYSA-N
-rxn:4:213902:223127,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CNC4CC4)cc3F)cc2F)CC1,SRWAFPSFWAAULU-UHFFFAOYSA-N
-rxn:4:213931:223897,Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCCCN1CCOCC1,SROPRXCGSAHENU-UHFFFAOYSA-N
-rxn:4:213932:227710,CS(=O)(=O)Oc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cc1,SDQLVAGMPICMKA-UHFFFAOYSA-N
-rxn:4:213933:228078,O=C1OCc2cc(-c3cc(C(F)(F)F)cnc3N3CCCN(S(=O)(=O)C4CC4)CC3)ccc21,DGKGJIXOAXECBY-UHFFFAOYSA-N
-rxn:4:213937:224483,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(OCCN4CCCCC4)cc3)CC2=O)ccn1,XSFDZGOOZDBPNE-UHFFFAOYSA-N
-rxn:4:213969:225938,O=C(c1ccc(-c2cc(C(F)(F)F)ncc2C2CC2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,ZCMFLVYZAZGLJQ-UHFFFAOYSA-N
-rxn:4:213973:224562,COc1cc(Oc2ccccc2)ccc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,XOXXQNKTABMWQP-UHFFFAOYSA-N
-rxn:4:213987:226034,COc1c(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc1C(F)(F)F,PCJATABXADSSKA-UHFFFAOYSA-N
-rxn:4:214003:224786,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3cc(C(F)(F)F)nc4ccc(F)cc34)CC2)CC1=O,DPGMTMDOZZGTIR-UHFFFAOYSA-N
-rxn:4:214011:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1,ATLPIUZKAGQVIU-UHFFFAOYSA-N
-rxn:4:214029:229136,O=C(C1CCCN(c2ncc(-c3cc(F)cc(Cl)c3)cc2C(F)(F)F)C1)N1CCSCC1,ROIBZJFXLKZTRP-UHFFFAOYSA-N
-rxn:4:214033:226064,CC(C)[C@H]1COC(c2cc(-c3ccc(C4CCCCC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,JSXVCMSLTXZWCP-KAYWLYCHSA-N
-rxn:4:214033:227353,COc1cc(C)c(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(OC)c1,LSDPITQOSHUZGN-FGZHOGPDSA-N
-rxn:4:214051:223147,CC(C)c1sc(-c2ccc(C3CNCCO3)cc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,HBUWSAMGCRTUOT-UHFFFAOYSA-N
-rxn:4:214051:225456,CC(C)c1sc(-c2ccc(C3CCN(C)CC3)cc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,AIZMHGLNWSZLPS-UHFFFAOYSA-N
-rxn:4:214058:226479,CCCCOc1nccc(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)c1Cl,LZLRFFTYVFUQAY-UHFFFAOYSA-N
-rxn:4:214064:222723,CS(=O)(=O)N1CCN(Cc2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2N2CCOCC2)CC1,HUZIDMOXRJQEIW-UHFFFAOYSA-N
-rxn:4:214064:226746,CCc1cnc(C(F)(F)F)cc1-c1ccc(CN2CCN(S(C)(=O)=O)CC2)c(N2CCOCC2)c1,NVOIMHDYPUEGEA-UHFFFAOYSA-N
-rxn:4:214082:225126,CC(C)N1CCN(Cc2ccc(-c3cc(F)ccc3OCC3CCCO3)cc2N2CCOCC2)CC1,NEAYYHSIUIIVDW-UHFFFAOYSA-N
-rxn:4:214277:224718,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc(OCCN5CCOCC5)nc4)cc32)CC1,LLJKHQOCCYIPGR-UHFFFAOYSA-N
-rxn:4:214294:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc(OCC3CCCN(C4Cc5ccccc5C4)C3)nc2)cc1,VLCQSOROICQPLZ-NQCNTLBGSA-N
-rxn:4:214335:224404,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)CC1,QCPXZSTWIZFKLE-UHFFFAOYSA-N
-rxn:4:214379:223684,O=C(c1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,VHCOELZIYMTYDF-UHFFFAOYSA-N
-rxn:4:214379:224271,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cc2cccnc21,YWAJVFGSFGMRCK-UHFFFAOYSA-N
-rxn:4:214390:224472,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc5c(Cl)c(OC(C)C)ccc5c4)ccc2OC32CCN(C(C)=O)CC2)cc1,XBFKQLNWTAXDDG-UHFFFAOYSA-N
-rxn:4:214603:223568,CC(C(=O)N1CCCC1)n1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cn1,JTPBENSAZJAVKO-UHFFFAOYSA-N
-rxn:4:214620:222519,CN(C)C(=O)C1CN(c2ncccc2-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1,VUKHCGMHCUCRMV-UHFFFAOYSA-N
-rxn:4:214627:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,HRDQWXZGBJVSBY-UHFFFAOYSA-N
-rxn:4:214638:225947,CN1CCN(c2ncc(-c3cnc(N4CCC(C(F)(F)F)CC4)c([N+](=O)[O-])c3)cn2)CC1,NBMYDUNPVBVJMZ-UHFFFAOYSA-N
-rxn:4:214645:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ncc(OCC4CCN(C)CC4)cn3)cc2)CC1,CMRBAMBDTBMCGX-UHFFFAOYSA-N
-rxn:4:214661:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2c(C(=O)N3CCCC(C(F)(F)F)C3)cnn2C)c1,QROWVMAVGSMHIP-UHFFFAOYSA-N
-rxn:4:214682:223945,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,IUAXFJBRIIBHND-UHFFFAOYSA-N
-rxn:4:214682:224718,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCN4CCOCC4)nc3)n2)CC1,ZFWDVMQIRVIJRZ-UHFFFAOYSA-N
-rxn:4:214691:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnccc3OC3CCN(c4ncc(Cl)cc4F)C3)c2)CC1,KTPHFKCKARPIIE-UHFFFAOYSA-N
-rxn:4:214698:223652,CCCc1nc(N2CCN(C)CC2)sc1-c1cc2c(Cl)ccc(OC)c2n1C(=O)OC(C)(C)C,JIAFCNWLEAAYJZ-UHFFFAOYSA-N
-rxn:4:214708:222805,OC1CCN(c2cc(-c3cnc(OC4CCN(C5COC5)CC4)nc3)cc(F)c2F)CC1,FCTQWEUOLMXHHO-UHFFFAOYSA-N
-rxn:4:214708:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(OC3CCN(C4COC4)CC3)nc2)CC1,SLAPRSDJHOUTRO-UHFFFAOYSA-N
-rxn:4:214713:224735,CC(C)COc1cc(-c2cnccc2N2CCN(C(=O)C3CC3)CC2)ccc1C(F)(F)F,AQLPDAOGMVQOAB-UHFFFAOYSA-N
-rxn:4:214734:225470,CC1CCN(c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)cc2)CC1,OVYLGWSDRHCAOM-UHFFFAOYSA-N
-rxn:4:214768:224668,CCN1CCN(c2cc(F)cc(-c3cc(N4CCC(N(C)C)CC4)ccc3[N+](=O)[O-])c2)CC1,VANMHJZEIQTCGT-UHFFFAOYSA-N
-rxn:4:214773:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)CC1,BGGTYLQKQCRKEM-UHFFFAOYSA-N
-rxn:4:214775:222946,OC1CCCCN1c1ncc(-c2cnc(OC3CCN(C4CCSC4)CC3)nc2)c(Cl)n1,WYIUEWQJIBUIPV-UHFFFAOYSA-N
-rxn:4:214775:224656,COc1ccc(-c2cnc(OC3CCN(C4CCSC4)CC3)nc2)c(F)c1OC1CCCC1,KSTMCPXISWBBJJ-UHFFFAOYSA-N
-rxn:4:214828:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)CC1,ZNLJRFISEMLPKT-UHFFFAOYSA-N
-rxn:4:214835:227218,O=C(C1CN(c2ncc(Cl)cc2-c2ccccc2OCCCF)CCO1)N1CCOCC1,NUWNXKCVUZAPLN-UHFFFAOYSA-N
-rxn:4:214835:227275,CCCOc1c(F)cccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,LVYOWFWOAWHJJS-UHFFFAOYSA-N
-rxn:4:214837:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,YKEHVOQFDYDCPX-UHFFFAOYSA-N
-rxn:4:214862:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)ccn2)CC1,FTCGVJDBZFYNOU-UHFFFAOYSA-N
-rxn:4:214867:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C)c2)cc1C,CRGALDFZTVMCJZ-UHFFFAOYSA-N
-rxn:4:214874:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1C,QWJADEWSGSOBJR-UHFFFAOYSA-N
-rxn:4:214880:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,IZDWCYPNINXQNV-UHFFFAOYSA-N
-rxn:4:214896:225059,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2Cl)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,YGVIFDASDBTUJF-UHFFFAOYSA-N
-rxn:4:214898:223682,O=C1CC(N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)cc1,JTPNBJXLUHHULH-UHFFFAOYSA-N
-rxn:4:215067:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3C)cc1,IGVRRSDEORSMJR-UHFFFAOYSA-N
-rxn:4:215094:224017,Cn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)ccc21,OYCMSHUPHAUOGG-UHFFFAOYSA-N
-rxn:4:215182:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2[nH]c(C(=O)N3CCN(C(C)C)CC3)cc2c1,MKYXTHJDGQBFMM-UHFFFAOYSA-N
-rxn:4:215184:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,DSMMVIGJZCNACK-UHFFFAOYSA-N
-rxn:4:215214:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cnc5n4CC4(COCCN(C(=O)OC(C)(C)C)C4)C5)c3)cccc12,DZQJACUCUYTTCG-UHFFFAOYSA-N
-rxn:4:215262:222712,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C(c2cccc([N+](=O)[O-])c2)O3)c(F)c1F,YBRLXTHPNZIUJO-UHFFFAOYSA-N
-rxn:4:215309:226719,CCOC(=O)c1cnc(Cl)c(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)c1,SWGIAKSBIWPYMZ-IBGZPJMESA-N
-rxn:4:215310:222847,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3cc(C#N)cc(C4CCCNC4)c3)cc2)c2ccccc21,CNPISVLKUZMAQW-UHFFFAOYSA-N
-rxn:4:215391:223695,NS(=O)(=O)c1ncc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],YCLJDQMFQQUTDZ-UHFFFAOYSA-N
-rxn:4:215489:223504,CCn1nnc(C2CC2)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,JZRBPAJUIAXSRY-UHFFFAOYSA-N
-rxn:4:215741:223532,Cn1ncc(C(=O)N2CCC(F)(F)C2)c1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,WROWYJHKEDGZLQ-UHFFFAOYSA-N
-rxn:4:215748:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1csc(-c2cnc(C3CCC3)nc2)n1,SMTGPTRQNTZVLS-UHFFFAOYSA-N
-rxn:4:215860:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C#N)cc(N2CCN(C)CC2)c1,WNVRKOUNXSMGTP-UHFFFAOYSA-N
-rxn:4:215872:223845,CCN1CCN(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)n2)CC1,HWHDDCRIDPGDIM-UHFFFAOYSA-N
-rxn:4:215876:223945,CCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCOCC2)c(F)c1,QZBWSVLJNFUYKE-UHFFFAOYSA-N
-rxn:4:215892:222614,CN1CCN(c2c(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)cccc2[N+](=O)[O-])CC1,WGKFCPVIPLOJKN-UHFFFAOYSA-N
-rxn:4:215912:224672,CCN1CCN(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c(Cl)c2)CC1,NTNSICDDDLWVPH-UHFFFAOYSA-N
-rxn:4:215914:224325,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,JSYYWWXZROCWJC-UHFFFAOYSA-N
-rxn:4:215914:224771,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)cc1S(=O)(=O)N1CCCC1,AWQSQMXZXDHUDU-UHFFFAOYSA-N
-rxn:4:215934:223790,CC1CCN(Cc2nn(C)cc2-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)CC1,SRPPFOLFHBLXCN-UHFFFAOYSA-N
-rxn:4:215945:223784,CCN1CCN(CCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2F)CC1,RLZSJWBNTUGXEM-UHFFFAOYSA-N
-rxn:4:215950:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cnc3N3CCN(CC)CC3)c(F)c2)CC1,NCYBRUVKKFHMEM-RQNOJGIXSA-N
-rxn:4:215969:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(Cl)cnc1N1CCN(C2CCC2)CC1,QPYNDGWEOZHCGT-UHFFFAOYSA-N
-rxn:4:216221:223589,CC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4C)cc3s2)CC1,SACPQGCXGKVUMP-UHFFFAOYSA-N
-rxn:4:217214:223845,Cc1nc(N2CCN(C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,GSLMRSYRWQTFPL-UHFFFAOYSA-N
-rxn:4:217792:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cn2)CC1,ZQVJLWCQYDJDRL-UHFFFAOYSA-N
-rxn:4:217889:223834,Cc1cc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,CJSGMFDCWLPOFC-UHFFFAOYSA-N
-rxn:4:217889:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)CC1,YHMOQRRQEYPGEY-UHFFFAOYSA-N
-rxn:4:217905:225674,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCCC5)cc4F)ccc2OC32CCN(C)CC2)o1,DJGXQEWUUVQILH-UHFFFAOYSA-N
-rxn:4:218567:225101,CCN(CC)C(=O)c1cc(-c2cnc(N(C)CC3CN(C(=O)OC(C)(C)C)C3)cn2)ccc1Cl,KBYJAOITNQVETG-UHFFFAOYSA-N
-rxn:4:218590:225598,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(CN4CCSCC4)c3)cn2)C1,RUTPGLVQIMDQNX-UHFFFAOYSA-N
-rxn:4:218615:227445,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cnc(Cl)c(C3CCC3)c2)cn1,WZQMSQRUTQZJMY-UHFFFAOYSA-N
-rxn:4:218618:223812,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,CYWNWQYMAZUURU-UHFFFAOYSA-N
-rxn:4:218620:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(Cc5csc(C6CC6)n5)C4)nc3)c2Cl)CC1,HGVNKNOVJHHXLY-UHFFFAOYSA-N
-rxn:4:218621:224853,CC1(C)CCC(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)CCN5C(=O)CCCC5=O)C4)nc3)cc2)CC1,KBHMXYLMFGIAKK-UHFFFAOYSA-N
-rxn:4:218665:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cnc(OCC2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nc1,RYGNOHDBHMRCJR-UHFFFAOYSA-N
-rxn:4:218682:222963,CCCNC(=O)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)C4CCN(C(C)=O)CC4)C3)nc2)cc1,FZUWPYBDPJASKC-UHFFFAOYSA-N
-rxn:4:218684:225996,CCOc1ncc(C(F)(F)F)cc1-c1cccc(-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,QWJJQKMXKLKPFU-UHFFFAOYSA-N
-rxn:4:218692:223536,Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(-c5cc(F)c(F)c(N6CCN(C(=O)OC(C)(C)C)CC6)c5)c(C)c4)c3C)c(C)o2)cc1,PQTPJZFOTRQDGU-UHFFFAOYSA-N
-rxn:4:218749:224633,COc1ccc(CN2CCOCC2)cc1-c1cnc(OCC2CCCN(C(=O)Cn3ccc4ccccc43)C2)nc1,XVMPXAPGROSSNB-UHFFFAOYSA-N
-rxn:4:218788:227250,CCCOc1cc(Cl)ccc1-c1ccccc1C(=O)N=c1c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1C1CCCCC1,GVHURLYMMSCFLQ-UHFFFAOYSA-N
-rxn:4:218868:224460,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)cc2)no1,PNLAHVIOGRXQHU-UHFFFAOYSA-N
-rxn:4:218868:226172,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCCC4)ccc3C)cc2)no1,AYCKUUDJNZBRIP-UHFFFAOYSA-N
-rxn:4:218878:222514,COc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccn4)CC3)c2)cc1S(=O)(=O)NC1CCCCC1,LDNXLHZRTGIQDC-UHFFFAOYSA-N
-rxn:4:218884:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1cncc(C(=O)N2CCCC(COc3ncccn3)C2)c1,VYUUMTIPUJXDGJ-UHFFFAOYSA-N
-rxn:4:218885:223753,Cc1ccc(-c2cnc(OCC3CCN(C(=O)c4scnc4C)CC3)nc2)cc1OCCCN1CCN(C)CC1,BYKBZUOAMIQWDR-UHFFFAOYSA-N
-rxn:4:218885:224592,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,CBSYNOULFWEETI-UHFFFAOYSA-N
-rxn:4:218886:224321,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cn2)C1,ICYQZRWFONQVRM-UHFFFAOYSA-N
-rxn:4:218944:227387,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,RMGYEGLNSIIKPS-UHFFFAOYSA-N
-rxn:4:218976:228681,O=C1C(N2CCC(Oc3ncc(-c4ccnn4CC4CC4)cn3)CC2)CCN1CC(F)(F)F,IXEZLMOXNFALIQ-UHFFFAOYSA-N
-rxn:4:218992:224298,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)cn3)C2)CC1,DVICPXLKJOYJMB-UHFFFAOYSA-N
-rxn:4:218998:223945,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,UYIXHIHZDHYGHS-UHFFFAOYSA-N
-rxn:4:218999:222487,COc1ccc(CNC(=O)c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)c(C#N)c3)cn2)cc1,PIEXZKCWCLQKOA-FQEVSTJZSA-N
-rxn:4:219002:225172,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)c1=O,BJGJMRBULXFRNW-UHFFFAOYSA-N
-rxn:4:219026:225830,Cc1nc(N2CCCCC2)ncc1-c1cnn(C)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)C1,OHVITAIBNBTQAG-UHFFFAOYSA-N
-rxn:4:219044:223997,Cc1cc(-c2cncc(C(=O)N3CCC(Cn4ccnc4C(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,ALQVZTDGNNNBIN-UHFFFAOYSA-N
-rxn:4:219116:223939,Cn1cc(CC(=O)N2CC(Cn3cc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cn3)C2)c2ccccc21,MINHWOWLDKTBCG-UHFFFAOYSA-N
-rxn:4:219128:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c1,OYUZYZGNBGEFBV-UHFFFAOYSA-N
-rxn:4:219130:224197,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2F)CC1,KPHMZWRDVHCLMB-UHFFFAOYSA-N
-rxn:4:219155:225772,COc1c(Cl)cc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cc1OC(C)C,KSXCVRAIBSHKHO-UHFFFAOYSA-N
-rxn:4:219184:223529,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc2)OC3)CC1,JLBLOUYTAHWOKZ-UHFFFAOYSA-N
-rxn:4:219281:224616,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccccc1OCCN1CCOCC1,OXHXLWZYNKTCEA-UHFFFAOYSA-N
-rxn:4:219354:222395,CN(C1CCN(c2ncc(-c3cccc(C(=O)NC4CCC(O)CC4)c3)cn2)C1)S(=O)(=O)C1CC1,DHBCGCADDYGFGB-UHFFFAOYSA-N
-rxn:4:219354:224691,CN(C1CCN(c2ncc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)cn2)C1)S(=O)(=O)C1CC1,YRLQKCWUCDCRLF-UHFFFAOYSA-N
-rxn:4:219363:222604,COc1ccc(-c2cnccc2OC2CCN(S(=O)(=O)c3cnn(C)c3)C2)cc1S(=O)(=O)NC1CCCC1,WKQKLWIODWXVEX-UHFFFAOYSA-N
-rxn:4:219402:224286,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cn2)CC1,IQSGXJNRLJQRMO-UHFFFAOYSA-N
-rxn:4:219402:224393,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)CC1,AILAQRRWGXVHRM-UHFFFAOYSA-N
-rxn:4:219413:222614,CSc1nc(C)cc(N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)C2)n1,KVCUSANXJFKGFE-UHFFFAOYSA-N
-rxn:4:219430:224316,Cc1ccc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(C(=O)N5CCN(C)CC5)c4)c3)CC2)nn1,JSVGDABHLKXAJW-UHFFFAOYSA-N
-rxn:4:219471:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCOC(C(=O)N3CCCC3)C2)n1,BEBZNQBFENVCQZ-UHFFFAOYSA-N
-rxn:4:219473:223787,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,SSZWFCTWOIZAOI-UHFFFAOYSA-N
-rxn:4:219477:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MNCLHDQQMNVAEU-UHFFFAOYSA-N
-rxn:4:219497:227495,CCN(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)c(F)cn1,VBBJAZNHFBNPJW-UHFFFAOYSA-N
-rxn:4:219515:228343,COC(=O)c1sc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)cc1C,SIPCGIZIIYQEQT-UHFFFAOYSA-N
-rxn:4:219516:222987,Cc1nc(C2CCNCC2)ccc1-c1cnc(OC2CCN(CC3CC(=O)N(C)C3)CC2)nc1,SEHRRONAHHGXEA-UHFFFAOYSA-N
-rxn:4:219530:222634,O=C1C(N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)CCN1C1CC1,BYLQSIQJYHZWTA-UHFFFAOYSA-N
-rxn:4:219538:224358,COc1ccc2nc(C(F)(F)F)cc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(C#N)c3)c2c1,HSANHOVWYQGKOB-UHFFFAOYSA-N
-rxn:4:219552:223588,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,NOSPNHPATIWCCI-UHFFFAOYSA-N
-rxn:4:219552:227906,CCC(C)c1ncccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,BCAISIOOHZBKFA-UHFFFAOYSA-N
-rxn:4:219552:228490,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cccc(S(=O)(=O)F)c1,CAHJGBCCGXWQLV-UHFFFAOYSA-N
-rxn:4:219554:223693,CC(=O)N1N=C(c2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c3F)cc2)CC1c1cn(-c2ccccc2)nc1C,IPWRNKMNSYIEGY-UHFFFAOYSA-N
-rxn:4:219565:225833,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)CC2)n1,CAANUCDFBLTWQV-UHFFFAOYSA-N
-rxn:4:219565:226181,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C5=CCCCC5)nc4)cc3)CC2)n1,WRRZSVSIJMBYQN-UHFFFAOYSA-N
-rxn:4:219565:226744,CCc1cc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(C)cc(C)c4C#N)CC3)cc2)cnc1C(F)(F)F,MRDHQUDEABYVQU-UHFFFAOYSA-N
-rxn:4:219626:225889,C[Si](C)(C)CCOCn1nccc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc34)CC2)o1,OIPNSZFKTDIZRK-UHFFFAOYSA-N
-rxn:4:219654:223812,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc23)CC1,VRLBKCGQKQPYRX-UHFFFAOYSA-N
-rxn:4:219654:224658,CC(=O)N1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2)CC1,JUPUYFLNYSFSBJ-UHFFFAOYSA-N
-rxn:4:219658:223606,O=C(c1cc2ccccn2c1)N1CCCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,LXELFUCXZZNTQX-UHFFFAOYSA-N
-rxn:4:219661:223574,CC(=O)C(C)n1c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,YHUXGKHPFJFLSZ-UHFFFAOYSA-N
-rxn:4:219704:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3ncc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)c1,IFUPUZWRDDGLKK-UHFFFAOYSA-N
-rxn:4:219707:225827,CN1CCN(c2cc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)ccn2)CC1,XLASFUKWJSFBFX-UHFFFAOYSA-N
-rxn:4:219745:223534,COc1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,NGXXZCTVJKZBDE-UHFFFAOYSA-N
-rxn:4:219750:224318,COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,NRZKRKAXRWKCGD-UHFFFAOYSA-N
-rxn:4:219877:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccccc3CN3CCN(c4cnsn4)CC3)c2)CC1,KSDXPQAETKWKEJ-UHFFFAOYSA-N
-rxn:4:219891:225156,CN1CCC(N2CC(Cn3cc(-c4cc(C(=O)N5CCCC5)ccc4F)cn3)C2)C1=O,BYIURQUDODQRJY-UHFFFAOYSA-N
-rxn:4:219937:222395,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cccc(C(=O)NC5CCC(O)CC5)c4)n3)C2)c1,KAFOSGDABPAOTI-UHFFFAOYSA-N
-rxn:4:219951:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4nccn4C)CC3)c2)CC1,KGYNDWDLGPQBNZ-UHFFFAOYSA-N
-rxn:4:219955:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,GFHBINZNOMHIDB-UHFFFAOYSA-N
-rxn:4:219978:222466,Cc1ccnc(N2CCN(Cc3cccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)c3)CC2)n1,UMZVGHJQPHEOMO-UHFFFAOYSA-N
-rxn:4:220069:224309,CC(C)(C)OC(=O)N1CCc2nnc(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)n2CC1,UWKADRFMGGFPDY-UHFFFAOYSA-N
-rxn:4:220149:226022,COc1cccc(OC(F)(F)F)c1-c1ccc2c(N3CC(C(=O)N4CCOCC4)CC3=O)[nH]nc2c1,NPTBWCPACFKKLR-UHFFFAOYSA-N
-rxn:4:220162:226172,CSc1ncc(-c2cc(N3CCCC3)ccc2C)c(N2CC(N3CC4CCCC4C3)C2)n1,RWDQAZUNGZYACM-UHFFFAOYSA-N
-rxn:4:220221:224804,CC(C)Oc1ccc(-c2ccc(C3Cn4nc(C(=O)N5CCN(C)CC5)cc4CO3)cc2)cc1OC(F)(F)F,WDFGOLWSFCVSTO-UHFFFAOYSA-N
-rxn:4:220225:222584,O=C(C1CCCN(c2ncnc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc23)C1)N1CCOCC1,JYAXLGUNPRSIAW-UHFFFAOYSA-N
-rxn:4:220424:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N4CCN(c5ccc(F)cc5)CC4)nc3)c(F)cn2)CC1,YVOKUIAINMFTKP-UHFFFAOYSA-N
-rxn:4:220429:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)CC1,YHZOQHQRPLFBBA-UHFFFAOYSA-N
-rxn:4:220430:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,HUJLHJMNCDCMEZ-UHFFFAOYSA-N
-rxn:4:220432:223834,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cc3)CC2)n1,ZPCCZULIMGGVBH-UHFFFAOYSA-N
-rxn:4:220491:222584,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCCN4CCNCC4)c(F)c3)nc2C1,HRKCPUWABAEZJA-UHFFFAOYSA-N
-rxn:4:220533:222848,CCc1cc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc(C2CCCNC2)n1,WATCIDCUBMUKCK-UHFFFAOYSA-N
-rxn:4:220540:223568,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5Cl)cc4)C3C2=O)c1,NNFQBCWNNPOTBK-UHFFFAOYSA-N
-rxn:4:220936:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)cc2Cl)CC1,BXWZAZQPNCKYFT-UHFFFAOYSA-N
-rxn:4:221107:224393,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cn3)C2)c(=O)c1C,DXZPPWNUROAXKS-UHFFFAOYSA-N
-rxn:4:221112:228380,CCOc1ccc(-c2ccc(C#N)c(Cl)c2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,NFQLHWWECJAKJI-UHFFFAOYSA-N
-rxn:4:221116:229212,CCOc1ccc(-c2cnccc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,XSABWXZKQIVXMV-UHFFFAOYSA-N
-rxn:4:221121:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2C)CC1,GEDGHRVLGNEJNB-UHFFFAOYSA-N
-rxn:4:221147:222621,CC(C)Cc1cc(-c2cnc(OCC3CCCN(c4cc(C#N)ccn4)C3)nc2)cc(C2CCCNC2)n1,AIPSNZHCHJIAPH-UHFFFAOYSA-N
-rxn:4:221157:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCN(CCn2ccnc2)CC1,YNTLEJUZSYXRFZ-UHFFFAOYSA-N
-rxn:4:221173:223812,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)ccc1=O,PSNJBGHBYNHZRA-UHFFFAOYSA-N
-rxn:4:221180:223786,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)cn3)CC2)nn1C,KHWZVALNILLOGO-UHFFFAOYSA-N
-rxn:4:221180:224182,Cc1cc(-c2cnc(OCC3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc2)ccc1OCCN1CCOCC1,BLOYRHHPDKLWJE-UHFFFAOYSA-N
-rxn:4:221193:225362,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cnn(S(=O)(=O)c5ccccc5)c4)cn3)C2)CC1,QSOJQDHMUCRQHV-UHFFFAOYSA-N
-rxn:4:221194:226417,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(Cl)cc(N5CCCC5)c4)cn3)CC2)cn1C,OSEYLOHOEBEIQT-UHFFFAOYSA-N
-rxn:4:221240:223532,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C1)CCC2,OMRYUAADMHXSAH-UHFFFAOYSA-N
-rxn:4:221257:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(=O)c5c(nc6n(CC(=O)OC)c(C)cn56)n(C)c4=O)cc3)c2)CC1,VUOFVEZFWCJTHN-UHFFFAOYSA-N
-rxn:4:221286:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cncc(C(=O)N4CC(Cn5cncn5)C4)c3)cc2C)CC1,CICKBOVTZLHTSL-UHFFFAOYSA-N
-rxn:4:221394:222829,CNS(=O)(=O)c1ccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)c(C(F)(F)F)c1,BHOOJZCNISQAMH-UHFFFAOYSA-N
-rxn:4:221395:223753,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1OCCCN1CCN(C)CC1,NGCCDZWMUTZYQA-UHFFFAOYSA-N
-rxn:4:221395:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc1,LSIURUSTRBCWBD-UHFFFAOYSA-N
-rxn:4:221413:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c(Cl)c2)CC1,ZOYJRWSBYUHWNO-UHFFFAOYSA-N
-rxn:4:221428:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,SWJONHMACCIXNO-UHFFFAOYSA-N
-rxn:4:221436:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)c1,XGAKXBZGTWLQMA-UHFFFAOYSA-N
-rxn:4:221437:228193,O=C(c1ccc(-c2cnn(C3CCCC3)c2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,FZDVKZOJIZULKH-UHFFFAOYSA-N
-rxn:4:221440:227741,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(F)(F)F)nc4C)cc3)CC2)n1,YJFIOWXLAXCEQB-UHFFFAOYSA-N
-rxn:4:221444:222933,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cnc(NC(=O)OC(C)(C)C)nc3)CC2)n1,MREADFWYQWYSKZ-UHFFFAOYSA-N
-rxn:4:221445:225333,Cc1cc(N2CCN(Cc3cccc(-c4ccc(COCC(F)(F)F)c(F)c4)c3)CC2)nc(N2CCOCC2)n1,JXZNECZOLPJJAP-UHFFFAOYSA-N
-rxn:4:221449:223313,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)CC5)cc4)cc3)CC2)n1,MPVHGUWWZLRUHD-UHFFFAOYSA-N
-rxn:4:221449:224321,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,MWQILGKZAACCND-UHFFFAOYSA-N
-rxn:4:221451:227312,CCC(C)c1ccc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c(F)n1,QNOJLXRCUHUVOK-UHFFFAOYSA-N
-rxn:4:221453:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,GOUFQSKRHWCCOJ-UHFFFAOYSA-N
-rxn:4:221498:222916,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cccc(C(=O)NC5=NCCS5)c4)c23)CC1,PRQUCTQYBQXCFC-UHFFFAOYSA-N
-rxn:4:221498:224196,CCN1CCN(Cc2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,DUOVFHANTLMXND-UHFFFAOYSA-N
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-rxn:4:221726:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,AHRGVRZCFSWZQM-UHFFFAOYSA-N
-rxn:4:221736:224654,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6ccc(F)c(O[Si](C)(C)C(C)(C)C)c6)c5)CC4C3)n1)CCC2,UAJSAAHZQPVDMY-UHFFFAOYSA-N
-rxn:4:221836:222730,CCCc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,DRQLBPMYSHPPRV-UHFFFAOYSA-N
-rxn:4:221836:223892,CN1CCN(CCCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,FFGFPPZABIUZOF-UHFFFAOYSA-N
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-rxn:5:177190:226452:225607,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3OCCCO3)cc2)c1,LQUXOGFWSQYVPI-UHFFFAOYSA-N
-rxn:5:177373:225805:225985,CC(c1ccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2OCC2OCCO2)s1)N1CCOCC1,BFEVRJBYVTWASF-UHFFFAOYSA-N
-rxn:5:177373:227803:222981,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccnc(NC3CCCCC3)c2)ccc1OCC1OCCO1,GVVXMQFDDYKNOO-UHFFFAOYSA-N
-rxn:5:177373:227804:225677,O=[N+]([O-])c1cc(-c2cc(-c3ccc(C4CCCCC4)nc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,NKFNRAGRNVPMGG-UHFFFAOYSA-N
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-rxn:5:177739:225438:223133,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccccc2N2CCNCC2)cc1)N1CCCC1,LBGSWKZBLKANRM-UHFFFAOYSA-N
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-rxn:5:177891:222421:223140,NS(=O)(=O)c1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCNC3)c2)c1,JHXLBYUOMBWWNA-UHFFFAOYSA-N
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-rxn:5:177891:223142:222404,O=C1NC(=O)C(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4CCCNC4)nc3)cc2)N1,MLVHSIDRKBTPPX-UHFFFAOYSA-N
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-rxn:5:177891:223240:227501,O=C(SC1CS(=O)(=O)CC1c1ccc(C=C[N+](=O)[O-])cc1)c1ccccc1-c1ccc(C2CCNC2)nc1,SCURIPRVGGCMBF-UHFFFAOYSA-N
-rxn:5:177891:223281:225683,Cc1nc(C2CCCOC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2(O)COC2)nc1,HWDXVRQLGXLPQY-UHFFFAOYSA-N
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-rxn:5:180020:226466:222983,CN1C(=O)COc2cc(-c3cc(-c4cccc(CN5CCC(O)C5)c4)ccc3OC3CCCC3=O)ccc21,LHLWCNFMELLDTK-UHFFFAOYSA-N
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-rxn:5:180021:225805:225986,COc1c(-c2ccc(C(C)N3CCOCC3)s2)cc(C2OCCO2)cc1-c1ccccc1N1CCCS1(=O)=O,MSUKGLIRUCVJNG-UHFFFAOYSA-N
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-rxn:5:180022:222998:223135,COc1c(-c2cccnc2C2CCCNC2)ccc(-c2cc(F)cc(C3CCCNC3)c2)c1C1OCCO1,VXKKSGVBBGSYCE-UHFFFAOYSA-N
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-rxn:5:180022:225499:223141,COc1c(-c2cncc(C3CCNCC3)c2)ccc(-c2ccc(C3CCCCC3)cc2F)c1C1OCCO1,HQBUCSOPAPWUEV-UHFFFAOYSA-N
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-rxn:5:180092:226835:222991,CC(C)n1nc(C(F)(F)F)cc1-c1cc(C#C[Si](C)(C)C)cc(-c2ccc(N3CCCC(O)C3)cc2)c1,MQHALQQIMVUJHK-UHFFFAOYSA-N
-rxn:5:180098:225799:225944,CC(C)Oc1c(F)cc(F)c(-c2ccc(-c3cncc(OC4CCOCC4)c3)c(OC3CCCC3)c2)c1F,XCLAHLXFAAUCMT-UHFFFAOYSA-N
-rxn:5:180202:226581:226028,CN(C)C(=O)c1cccc(-c2ccc(OC3CCOCC3)c(-c3ccc(C(F)(F)F)c(C#N)c3F)c2)c1F,FWUXCNHJUQMPRS-UHFFFAOYSA-N
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-rxn:5:181907:223063:222986,Cc1cc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2cc(C)nc(C3CCCNC3)c2)c(C2OCCO2)c1,BPBXJJYTFIXOAR-UHFFFAOYSA-N
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-rxn:5:181908:225394:222959,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C3CCC3)cc(C3CC3)c2)ccc1C1CCNCC1,FQRGSWIZYXBELZ-UHFFFAOYSA-N
-rxn:5:182009:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)cc1C1CCOCC1,PVLHTKFTIDXETB-UHFFFAOYSA-N
-rxn:5:182009:226440:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)nc(C3CCCC3)c2)c(C2CCOCC2)c1,OPSBKPYABVZAEO-UHFFFAOYSA-N
-rxn:5:182010:225407:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCCCCC3)cc2)c1,IRNHCTUKGUJKNE-UHFFFAOYSA-N
-rxn:5:183062:225832:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)cc2c1OCCCO2,HBZJFWWKCXUVNT-UHFFFAOYSA-N
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-rxn:5:188787:226740:222998,N#Cc1c(-c2cc([N+](=O)[O-])c(OC3CC3)cc2-c2cc(F)cc(C3CCCNC3)c2)cccc1C(F)(F)F,PHICHAFHYUFHJA-UHFFFAOYSA-N
-rxn:5:188876:225639:222994,CON(C)C(=O)c1cccc(-c2cccnc2N2CCC(C)CC2)c1-c1cccc(N2CCC(O)CC2)c1,HMLVIDFVXSUBAW-UHFFFAOYSA-N
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-rxn:5:189208:227682:223146,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(C4CNCCO4)c3)c2)cc([N+](=O)[O-])c1,KXIRIAFNGLUSKC-UHFFFAOYSA-N
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-rxn:5:189676:226767:226765,COC(=O)c1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2cc(OC)ccc2C(F)(F)F)c(F)c1F,JTFVPZXHHJOJBL-UHFFFAOYSA-N
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-rxn:5:189910:225454:227542,COC(=O)c1cc(F)ccc1-c1ccc(-c2ccc(C3=CCN(C)CC3)cc2)cc1CCN1CCOCC1,QZXPYNPQGZOHEH-UHFFFAOYSA-N
-rxn:5:189952:225833:228703,COc1c(-c2cnn(C3CCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,FWJSFEWUDXDWBH-UHFFFAOYSA-N
-rxn:5:190194:225499:228155,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)cc2F)cc1OC,INOTZHLDXDNTKS-UHFFFAOYSA-N
-rxn:5:190194:225588:228319,COc1nccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccccc2CN2CCSCC2)c1OC,VWAYXGNIDLBPPC-UHFFFAOYSA-N
-rxn:5:190195:223113:223062,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnc(C3CCNCC3)cc2F)c1)C1CCOCC1,CKOKAHNSRKPACC-UHFFFAOYSA-N
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-rxn:5:190201:226571:223113,CC1CN(CCc2cc(-c3cnn(CC4CCOCC4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,PHGIUJTZCBDMPV-UHFFFAOYSA-N
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-rxn:5:194575:226658:225987,O=S1(=O)CCCN1c1ccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(N4CCCC4)nc2F)C3)cc1,KRPIROXBKKYITC-UHFFFAOYSA-N
-rxn:5:194575:226679:225576,N#Cc1cc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cnc(N4CCCC4)cc2F)C3)ccc1N1CCCC1,NSXIRTIRGIBRHU-UHFFFAOYSA-N
-rxn:5:194782:226062:229247,Cc1cn(C)nc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,MLUCPFUZBPNLDN-UHFFFAOYSA-N
-rxn:5:194791:227197:225477,Cc1cccc(-c2ccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccccc6-c6ccc7c(c6)C(=O)N(C)C7)C(=O)C45)cc3)cn2)c1,CTAPAOYFWNKOEH-UHFFFAOYSA-N
-rxn:5:194792:223378:228516,CCc1cc(C)cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cnc7c(c6)NCCO7)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1,LXYMQBBPQAOQBL-UHFFFAOYSA-N
-rxn:5:194792:229243:225935,Cc1nn(C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cc(C(C)C)nc(C(F)(F)F)c5)cc4)C(=O)C23)cc1,FMVJUUZMHGWQID-UHFFFAOYSA-N
-rxn:5:196408:222987:222988,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(C4CCNCC4)nc3C)c2)cc(C2CCNCC2)n1,RIHLMDKIGZCXRI-UHFFFAOYSA-N
-rxn:5:196408:223138:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccnc(C3CCNCC3)c2)c1,LNSDQFDJLKSEIL-UHFFFAOYSA-N
-rxn:5:196408:225439:225985,CC(c1cccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NOCCO2)c1)N1CCCC1,ZREUBNAQUAIJJH-UHFFFAOYSA-N
-rxn:5:196408:225986:225439,CC(c1cccc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1)N1CCCC1,FPOMMNJMELHJQY-UHFFFAOYSA-N
-rxn:5:196680:222981:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(NC3CCCCC3)c2)ccc1N1CCCC1,VBJGBPFNUVBJBF-UHFFFAOYSA-N
-rxn:5:196789:225976:226679,O=C1COCCN1c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCCC2)cc1F,AIWZCLMKPWNATH-UHFFFAOYSA-N
-rxn:5:196790:226710:225940,C[Si](C)(C)c1c(F)ccc(-c2cc(-c3cc(C(F)(F)F)cnc3C3CC3)ccc2N2CCOCC2=O)c1F,FOJMRANDNDFVEX-UHFFFAOYSA-N
-rxn:5:196792:226047:223143,O=C1COCCN1c1cc(-c2cccc(N3CCC(O)C3)c2)ccc1-c1ccc(OC(F)(F)F)c(F)c1F,DUAFVQSODZGLLU-UHFFFAOYSA-N
-rxn:5:196858:225832:223007,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cc(F)cc(C2CCNCC2)c1,OBIXYLINZFEGDF-UHFFFAOYSA-N
-rxn:5:196858:225880:222988,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(C3CCOCC3)ncc2F)cc(C2CCNCC2)n1,VPIFSWLFRBODPB-UHFFFAOYSA-N
-rxn:5:196859:225677:222986,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCCCC3)nc2F)cc(C2CCCNC2)n1,WZOXEFCAXQGCFJ-UHFFFAOYSA-N
-rxn:5:196859:225832:223131,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(N2CCNCC2)cc1,DPRRFPNZUMHIKU-UHFFFAOYSA-N
-rxn:5:196873:226686:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)cc1-c1c(C)cnn1C1CCCCO1,GWZVKWJWRSPTGE-UHFFFAOYSA-N
-rxn:5:196917:225985:226176,CC1(C)COC(c2cc(-c3ccncc3C3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,AMUOLPUYFORHMU-UHFFFAOYSA-N
-rxn:5:196917:225985:226412,CC1(C)COC(c2cc(-c3cc(F)cc(N4CCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,UBCWEHMCQHNWDV-UHFFFAOYSA-N
-rxn:5:196919:225985:226179,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cncc(C3CCCCC3)c2)=N1,PDQXSXKGJDKFIU-UHFFFAOYSA-N
-rxn:5:196919:225985:226412,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cc(F)cc(N3CCCC3)c2)=N1,JSCVATGLZACIRX-UHFFFAOYSA-N
-rxn:5:196919:226176:225985,CC1(C)COC(c2ccc(-c3ccncc3C3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,KUVOHRIFFRTPIG-UHFFFAOYSA-N
-rxn:5:196919:226422:225985,CC1(C)COC(c2ccc(-c3cc(F)ccc3N3CCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,HIPXONKNDJKAFD-UHFFFAOYSA-N
-rxn:5:196969:225576:225985,N#Cc1cc(-c2cnc(C3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCC1,LVXGRYUAOIJIRZ-UHFFFAOYSA-N
-rxn:5:196969:225577:225985,N#Cc1cc(N2CCCC2)ccc1-c1cnc(C2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,FJLDWXSFSAYRQS-UHFFFAOYSA-N
-rxn:5:196969:225832:226185,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(C2CCOCC2)cc1,PVMYZPGUZMRQAN-UHFFFAOYSA-N
-rxn:5:196970:222987:222959,Cc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCNCC3)nc2C)ccc1C1CCNCC1,LQVDBRXXELSXNS-UHFFFAOYSA-N
-rxn:5:196970:225633:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(N2CCCCCC2)nc1,LWCBSBBFGSSRFY-UHFFFAOYSA-N
-rxn:5:196970:225832:222958,Cc1ccc(-c2nccc(C3CCCCC3)c2-c2c(C)nn(C3CCCCO3)c2C)cc1C1CCNCC1,MAUMPGUCDRXZCR-UHFFFAOYSA-N
-rxn:5:196970:225832:226177,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccnc(C2CCCCC2)c1,MXVXQUACEBKBBS-UHFFFAOYSA-N
-rxn:5:196971:223063:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)ncc1C1CCCCC1,BJPXEHKJOYZYGN-UHFFFAOYSA-N
-rxn:5:196977:225576:225985,N#Cc1cc(-c2ccc(N3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCC1,XFKUKGQWEXTXJA-UHFFFAOYSA-N
-rxn:5:196978:223061:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1N1CCCCC1,ZVOVDPFEASGMDD-UHFFFAOYSA-N
-rxn:5:196979:225638:225986,CC1CCN(c2ccc(-c3cc(-c4ccccc4N4CCCS4(=O)=O)cc(N4CCCCC4)c3)cn2)CC1,UGMZKBMDTDOWIY-UHFFFAOYSA-N
-rxn:5:197169:225986:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2c(c(-c3ccccc3N3CCCS3(=O)=O)c1)OCC(C#N)=C2,ALAVHLLVRNMIME-UHFFFAOYSA-N
-rxn:5:197876:223056:226159,CC(C)(C)N1C(=O)c2cc(-c3cccc(N4CCCCC4)c3)c(-c3ccc(N4CCC(O)CC4)nc3)cc2S1(=O)=O,JIKXTJZREUIXFT-UHFFFAOYSA-N
-rxn:5:197876:223113:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,QQXOQXTVCMJNKV-UHFFFAOYSA-N
-rxn:5:197876:226085:227496,CCN(C)c1cc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,IYGQCPDNEVNJBE-UHFFFAOYSA-N
-rxn:5:197876:227959:226366,Cc1cnc(C2CC2)c(-c2cc3c(cc2-c2ccnc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WUUQDCGIONGJDX-UHFFFAOYSA-N
-rxn:5:222960:194058:225607,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc(C2CCNCC2)c1,JBQYRXIHDCHNPB-UHFFFAOYSA-M
-rxn:5:222981:181630:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccnc(NC3CCCCC3)c2)cccc1C1OCCO1,MDFHCCRPSVTKCF-UHFFFAOYSA-N
-rxn:5:223018:190795:223018,CC(C)(C)OC(=O)n1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc21,DFBAUVAHJBLLPO-UHFFFAOYSA-N
-rxn:5:225683:181904:223007,Cc1nc(C2CCCOC2)ccc1-c1ccc(C2OCCO2)c(C)c1-c1cc(F)cc(C2CCNCC2)c1,ZBPDKOYHKDWLAX-UHFFFAOYSA-N
-rxn:5:225683:181906:226686,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,UULSHKHLSSBROW-UHFFFAOYSA-N
-rxn:5:225832:182012:227386,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCC3)c2)c(C2CCCOC2)c1,WHXWGSQAPINSFD-UHFFFAOYSA-N
-rxn:5:225832:196873:223139,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1ccc(C2CCNCC2)nc1,IEDWCSKBHFTHON-UHFFFAOYSA-N
-rxn:5:225832:196970:225884,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccc(C2COCCO2)c(F)c1,RITUTSSWRRGGQA-UHFFFAOYSA-N
-rxn:5:225832:196970:226176,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccncc1C1CCCCC1,GGAOCNLZOGEVMT-UHFFFAOYSA-N
-rxn:5:225833:193869:228597,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)cccc1C#N,RAACRBUOWJASKT-UHFFFAOYSA-N
-rxn:5:225833:193870:228581,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C#N)c2C)cc1-c1ccnc(N2CCCCC2)c1F,XGEJBQGMFPJCCM-UHFFFAOYSA-N
-rxn:5:225833:193870:229062,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C#N)n2C)cc1-c1ccnc(N2CCCCC2)c1F,KPCQJIMWYNCLSR-UHFFFAOYSA-N
-rxn:5:225833:193972:229060,Cc1cc(-c2ccnc(N3CCCCC3)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)nc1,LIELBQWPRZHDKB-UHFFFAOYSA-N
-rxn:5:225849:193506:228514,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2cccc(C3CC3)c2)CC1,RTFZYXHZFJYZJW-UHFFFAOYSA-N
-rxn:5:225849:193870:229062,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C#N)n2C)cc1-c1cnc(N2CCCCC2)cc1F,HEROCPIACUIDBX-UHFFFAOYSA-N
-rxn:5:225871:178119:227293,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1cncc(OC(C)(C)C)c1,RWZQFLOHOULFFY-UHFFFAOYSA-N
-rxn:5:225871:189323:226334,Cc1cc(C(=O)N(C)C)cc(-c2cc(C(=O)OC(C)(C)C)c(-c3cccc(N4C(=O)C=CC4=O)c3)cn2)c1,DEPPQFNRSPNBJQ-UHFFFAOYSA-N
-rxn:5:225985:193158:225655,CC1CCN(c2cncc(-c3c(CN4CCCC4)cccc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,GZEYXBOLCSCSCW-UHFFFAOYSA-N
-rxn:5:225985:193459:227387,O=C(c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(-c2ccnc(N3CCCC3)c2)c1)N1CCCCC1,DZKBZBZIXFFPAB-UHFFFAOYSA-N
-rxn:5:225985:193464:227387,N#CC1(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(N3CCCC3)c2)CCCCC1,FQSUWTJFTCYNGC-UHFFFAOYSA-N
-rxn:5:225985:194522:225833,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccnc(N2CCCCC2)c1F,CGMHDSWUTFYSJE-UHFFFAOYSA-N
-rxn:5:225985:196917:226176,CC1(C)COC(c2cc(-c3ccncc3C3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,AMUOLPUYFORHMU-UHFFFAOYSA-N
-rxn:5:225985:196917:226179,CC1(C)COC(c2cc(-c3cncc(C4CCCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,QTSZUGFTLVBFMF-UHFFFAOYSA-N
-rxn:5:225986:194522:226366,CC(C)CN1CCc2c1ccc(-c1ccccc1N1CCCS1(=O)=O)c2-c1ccnc(N2CCCCC2)c1,GRSFFJYZYLQWPG-UHFFFAOYSA-N
-rxn:5:225986:196408:225439,CC(c1cccc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1)N1CCCC1,FPOMMNJMELHJQY-UHFFFAOYSA-N
-rxn:5:225986:197169:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2c(c(-c3ccccc3N3CCCS3(=O)=O)c1)OCC(C#N)=C2,ALAVHLLVRNMIME-UHFFFAOYSA-N
-rxn:5:225986:197169:225652,CC1CCCN(c2cncc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)c2)C1,PXRHRLJYXHPTCH-UHFFFAOYSA-N
-rxn:5:226059:196919:223018,CC(C)c1ccc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2)c(C(C)C)c1,ODLKZXSAOZFUAS-UHFFFAOYSA-N
-rxn:5:226084:178295:228520,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3C)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,ZHOHTPCZQDWJJX-UHFFFAOYSA-N
-rxn:5:226085:178295:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,KTNHIPJTZDLOIR-UHFFFAOYSA-N
-rxn:5:226153:178295:228178,COCc1ccc(F)c(-c2ccc(-c3cc(C4CC4)c(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PSRRFLIFOCYILD-UHFFFAOYSA-N
-rxn:5:226153:178295:228622,CCc1cc(F)ccc1-c1ccc(-c2cc(C3CC3)c(OC)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,JAFFHYJGCJHCLZ-UHFFFAOYSA-N
-rxn:5:226154:178295:228777,COC(=O)C1(c2cc(-c3ccc(OC)cc3F)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,MUDAQFUGBHBSSA-UHFFFAOYSA-N
-rxn:5:226179:196917:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cncc(C3CCCCC3)c2)=N1,UPRDLWXEROIDLF-UHFFFAOYSA-N
-rxn:5:226179:196919:225985,CC1(C)COC(c2ccc(-c3cncc(C4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,BXSIUVKUDPVJQM-UHFFFAOYSA-N
-rxn:5:226179:196970:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cncc(C2CCCCC2)c1,WTQBPYKNFHZMEW-UHFFFAOYSA-N
-rxn:5:226181:178368:226177,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccnc(C4CCCCC4)c3)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)nc1,BBHJRJBVBDWVBU-UHFFFAOYSA-N
-rxn:5:226181:193972:228888,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)ncc1F,VASCRLLZNFAYQQ-UHFFFAOYSA-N
-rxn:5:226182:180022:225980,COc1c(-c2cc(N3CCOCC3)ncc2F)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,ZLLSXKWTBVYNPJ-UHFFFAOYSA-N
-rxn:5:226182:194522:225985,CC(C)CN1CCc2c1ccc(-c1cccnc1C1CCCCC1)c2-c1cccc(N2CCCS2(=O)=O)c1,USGSTQCUXYHCRT-UHFFFAOYSA-N
-rxn:5:226374:180422:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1cncnc1C1CCCCC1,JNMRLAIVGINBPH-UHFFFAOYSA-N
-rxn:5:226395:193870:227832,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CC3)cc2C)cc1-c1cncc(N2CCCCC2)c1,ISPOHYBSDLRVNZ-UHFFFAOYSA-N
-rxn:5:226395:193870:227837,Cc1cc(-c2cc(-c3cncc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,AJMDJYYZRVGOFU-UHFFFAOYSA-N
-rxn:5:226422:196919:225985,CC1(C)COC(c2ccc(-c3cc(F)ccc3N3CCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,HIPXONKNDJKAFD-UHFFFAOYSA-N
-rxn:5:226447:182012:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCOCC3)c2)cc1C1CCCOC1,FHOIZODSMBPRMU-UHFFFAOYSA-N
-rxn:5:226463:178295:226589,COC(=O)C1(c2cc(-c3cc(C(F)F)ncc3C(C)C)ccc2-c2cccc3c2cnn3C(C)=O)CCC(=O)CC1,KLGUDUKWCMLXLE-UHFFFAOYSA-N
-rxn:5:226652:181907:223064,Cc1cc(-c2cc(C)nn2C2CCCCO2)c(-c2ccc(C3CCNCC3)nc2F)c(C2OCCO2)c1,JTVRKIDWLMYILR-UHFFFAOYSA-N
-rxn:5:226652:196858:223000,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCCNC3)c(F)c2)n(C2CCCCO2)n1,PNWJFRPZGWEWDU-UHFFFAOYSA-N
-rxn:5:226686:193541:223136,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)cc(-c2ccncc2C2CCCNC2)c1,QTDQLPSBRCACOG-UHFFFAOYSA-N
-rxn:5:226686:196859:223004,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2CCNCC2)c(F)c1,WMNCRTGOLHRUME-UHFFFAOYSA-N
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-rxn:5:226686:196971:225683,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCOC3)nc2C)c(C2CCCCC2)cn1,LKKACHSZFJDMEB-UHFFFAOYSA-N
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-rxn:5:227561:178295:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(OC)c(OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JABJCRLZHSDIME-UHFFFAOYSA-N
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-rxn:5:227837:193869:226395,Cc1cc(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,ZDSBULNWKYXURY-UHFFFAOYSA-N
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-rxn:5:227903:178295:227352,CCN(C)c1cccc(-c2ccc(-c3cc(C)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZZBPMBRJWCEPHY-UHFFFAOYSA-N
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-rxn:5:227907:190484:227314,CCC(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(CC(C)C)nc4F)S(=O)(=O)CC3)c2)c1,GAFBIXSVIBKMPD-UHFFFAOYSA-N
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-rxn:5:228696:178295:226059,COCc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PJSLVIOKGIZNJS-UHFFFAOYSA-N
-rxn:5:228715:193869:225833,Cc1cc(-c2ccc(C#N)nc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,UYVYDAVTWIBGDO-UHFFFAOYSA-N
-rxn:5:228715:193869:225849,Cc1cc(-c2ccc(C#N)nc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,GPDZBLWNMLNWTC-UHFFFAOYSA-N
-rxn:5:228722:193869:225833,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,YIIXYMHBPIDFCP-UHFFFAOYSA-N
-rxn:5:228729:193972:226366,Cc1cc(-c2ccc(F)cc2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,UQKYRLNCXHXSCC-UHFFFAOYSA-N
-rxn:5:228740:193972:226794,Cc1cc(-c2ccc(C#N)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,NJBDKRWDSDEWAF-UHFFFAOYSA-N
-rxn:5:228749:193972:226794,Cc1cc(-c2cc(C#N)ccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,GCFHJJZOPRCONL-UHFFFAOYSA-N
-rxn:5:229062:193869:225849,Cc1cc(-c2ccc(C#N)n2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,VJDXOCVLUVJABN-UHFFFAOYSA-N
-rxn:5:229062:193972:226679,Cc1cc(-c2ccc(C#N)n2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCC2)cc1F,IMUMFFKRJAOTFO-UHFFFAOYSA-N
-rxn:4:173280:225593,Fc1cc(CN2CCCC2)cc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2OC(F)(F)F)c1,PILUEFYKUIPOPD-UHFFFAOYSA-N
-rxn:4:173327:223530,CCOC(=O)CC(=O)Cc1ccc(F)c(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,PVESBPOSSMXCFC-UHFFFAOYSA-N
-rxn:4:173363:224008,CCOC(=O)c1cc(C(=O)OCC)cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c1,FUTYZBMVWOFELB-UHFFFAOYSA-N
-rxn:4:173423:223693,CC(C)COc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)ccc1OCC(F)(F)F,KKWNYDDLDIDPPN-UHFFFAOYSA-N
-rxn:4:173544:223018,COC(=O)c1ccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(OCCC2CCCCC2)c1,XGAYENNFJKLGFU-UHFFFAOYSA-N
-rxn:4:173582:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(C(=O)OC)cc(-c4cccc(OCc5ccccc5)c4)c3C)cc2C)CC1,JEFVDHYGAHLWPV-UHFFFAOYSA-N
-rxn:4:173593:224491,CC(C)N(Cc1cc(-c2ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)ccc1F)C(C)C,QHSLYWLOPKQHRG-UHFFFAOYSA-N
-rxn:4:173613:222905,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cccnc1NC(=O)OC(C)(C)C)C2=O,LWQZCMZYPQSXQP-UHFFFAOYSA-N
-rxn:4:173613:222906,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cnccc1NC(=O)OC(C)(C)C)C2=O,AEUQHBXYZPFNDI-UHFFFAOYSA-N
-rxn:4:173636:225390,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cc(CC(C)C)cc(C4CC4)c3)ccc1OC)C2=O,JGGWBJVEQWPKBT-UHFFFAOYSA-N
-rxn:4:173636:226714,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3ccnn3C(=O)OC(C)(C)C)ccc1OC)C2=O,RXHSEYWZQQGTPC-UHFFFAOYSA-N
-rxn:4:173656:224279,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cc1)C2=O,AUXIPZHXXKVRNC-UHFFFAOYSA-N
-rxn:4:173668:224741,COc1cc(C(C)=O)ccc1OC(=O)c1cc2cc(-c3c(OC)cc(C4OCCO4)cc3OC)cc(OC)c2oc1=O,ISAQMKNMEZUWFM-UHFFFAOYSA-N
-rxn:4:173686:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(-c2c(C)oc3cc(OCC(=O)OC(C)C)ccc3c2=O)cc1,GZMAEWFQDAYMDZ-UHFFFAOYSA-N
-rxn:4:173704:223074,COc1cccc2c(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,NWKSUOCJUSAJFI-UHFFFAOYSA-N
-rxn:4:173715:225207,Cc1c(-c2cc(OC(F)(F)F)ccc2OC(F)(F)C(F)(F)F)cc(C2CC2)cc1C(F)(F)F,SWXHPBPSBFUWAS-UHFFFAOYSA-N
-rxn:4:173763:223580,COC(=O)C(=O)CC(=O)c1ccc(-c2cc3cc(C(=O)OC)ccc3n2C(=O)OC(C)(C)C)cc1,ZJLCHLIMMXRYAN-UHFFFAOYSA-N
-rxn:4:173954:222524,CS(=O)(=O)OCCCc1ccccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,PUGDMVBROZUECE-UHFFFAOYSA-N
-rxn:4:174009:222539,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1,PUMMJEDFNOIBQL-UHFFFAOYSA-N
-rxn:4:174058:222522,CCOC(=O)c1cc(OC)c(OC)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,WWIXBBLNKCFHFW-UHFFFAOYSA-N
-rxn:4:174069:224377,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,MDAJVDVLLNRUFJ-UHFFFAOYSA-N
-rxn:4:174378:224588,COc1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc1OCCC1OCCCO1,RFMCZALOTPPZQO-UHFFFAOYSA-N
-rxn:4:174407:224959,COC(=O)C1(c2cccc(-c3ccc(OCC4CCCCO4)cc3)c2)CC(OC)(OC)C1,QQCPSTWIJJZFOC-UHFFFAOYSA-N
-rxn:4:174444:225672,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2cc(F)nc(C3CCCCC3)c2)c1,MTYLJRZERSCNKO-UHFFFAOYSA-N
-rxn:4:174491:225859,CC1(C)COC(CCCC(=O)c2ccc(-c3cnc(N4CCCCC4)c(Cl)c3)cc2)OC1,UBXMMDWCPFWQDT-UHFFFAOYSA-N
-rxn:4:174500:222583,COc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)c1,XVKNPJBVQBWUNT-UHFFFAOYSA-N
-rxn:4:174522:222933,CC(C)[Si](C#Cc1ccc(-c2cnc(NC(=O)OC(C)(C)C)nc2)cc1)(C(C)C)C(C)C,XDNIKTHQFBGNEG-UHFFFAOYSA-N
-rxn:4:174568:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)C(C)C)cc2)CC1,AYKWGGFKYFWZDN-MEMLXQNLSA-N
-rxn:4:174570:224458,CCCCCCC1CC(=O)c2cc(-c3ccc(C(C)N4CCC(C)CC4)cc3)ccc2O1,LTEXCXUUONLCGM-UHFFFAOYSA-N
-rxn:4:174615:224279,COc1ccc(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)cc1C=C1Oc2cc(OC(=O)C3CC3)ccc2C1=O,GBXJJYOFFGQOOR-UHFFFAOYSA-N
-rxn:4:174656:222899,CCCCNS(=O)(=O)c1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)cc1,WGGWRJRZFZQHDM-UHFFFAOYSA-N
-rxn:4:174742:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3c(OCC(F)(F)F)cccc3C(F)F)c2)C1,MBDLWEKTDAOXHV-UHFFFAOYSA-N
-rxn:4:174745:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1C(F)(F)F,TVCKOTNUGMEXPG-UHFFFAOYSA-N
-rxn:4:174784:223481,C#CCOc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)ccc1C(C)=O,CZYXWLSPWRGVGO-UHFFFAOYSA-N
-rxn:4:174888:223844,CCOC(=O)Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc(F)c1F,GGEZQBYIICKMGQ-UHFFFAOYSA-N
-rxn:4:175310:223712,COc1ccc(-c2ccc(OCC3CC3)c(C(C)=O)c2)cc1C12CC3CC(CC(C3)C1)C2,BDBOWSIHXSMYNJ-UHFFFAOYSA-N
-rxn:4:175339:223978,CC(C)(C)OC(=O)Oc1cc(F)ccc1-c1ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c1,ZOGMKUVIDNDNGO-UHFFFAOYSA-N
-rxn:4:175712:222545,CCOC(=O)C1(c2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2)CCC1,MNFRWMZSBFPPFW-UHFFFAOYSA-N
-rxn:4:175973:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2cc(OCCC3CCCCC3)ccc2F)c(Cl)c1,YRVANONCVUEARM-UHFFFAOYSA-N
-rxn:4:176204:222724,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc(OC)c2OC1,JIEOCEXMIYHXDO-UHFFFAOYSA-N
-rxn:4:176293:223880,Cc1ccc2c(c1)cc(-c1ccc(C=C3Oc4cc(OC(=O)C(C)(C)C)ccc4C3=O)cc1)n2C(=O)OC(C)(C)C,SEULXQUKOXUVOU-UHFFFAOYSA-N
-rxn:4:176316:227347,CC(C)Oc1ccc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)c(Cl)c1,VEHQSRUFULNLEF-UHFFFAOYSA-N
-rxn:4:177067:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C(C)=O,UYBDNPVIFXDBSN-UHFFFAOYSA-N
-rxn:4:177375:223712,COc1ccc(-c2ccc(F)cc2OCC2OCCO2)cc1C12CC3CC(CC(C3)C1)C2,KUYZDKPKMLDIFV-UHFFFAOYSA-N
-rxn:4:177380:222466,COC(=O)C1(c2cc(F)cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,DAYJKARCNNSAGH-UHFFFAOYSA-N
-rxn:4:177685:223971,CC1CCN(c2cc(-c3cccc(S(=O)(=O)Oc4c(F)c(F)c(F)c(F)c4F)c3)cc(C(F)(F)F)c2)CC1,YBOOGDGMUKNMNW-UHFFFAOYSA-N
-rxn:4:177843:223698,Cc1cc(S(=O)(=O)CC2CC2)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,DINBUTABLUBTOS-UHFFFAOYSA-N
-rxn:4:178179:223712,COC(=O)C1(c2cccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c2)CCCC1,MDDFMSUIUDNSSI-UHFFFAOYSA-N
-rxn:4:178218:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1,IRWTXXGCVFSMDD-UHFFFAOYSA-N
-rxn:4:178248:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(=O)OC)CCOCC4)cc3)c(F)c2)CC1,HJJPVCYBHVGCAC-MEMLXQNLSA-N
-rxn:4:178330:224853,COC(=O)C1(c2ccc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc2)CC2(C1)OCCO2,AAYYPXSDUBPOCE-UHFFFAOYSA-N
-rxn:4:178384:223210,COc1cccc2[nH]c(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cc12,DGWRNRVPJDYLMO-UHFFFAOYSA-N
-rxn:4:178384:225448,Cc1ccc(OC2CCCC2)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,LJEGVFLVXWHFAO-UHFFFAOYSA-N
-rxn:4:178384:225978,Fc1nc(N2CCOCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SUCRUAIEERWYKR-UHFFFAOYSA-N
-rxn:4:178384:226311,CCCOc1ccc(C)c(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,OHHQLWQQWQRDTG-UHFFFAOYSA-N
-rxn:4:178384:226751,Cc1cc(OC(F)(F)F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WOPKEXDHKKQLSY-UHFFFAOYSA-N
-rxn:4:178384:227933,CCc1ccc(OC)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,CPKVKJOUSMRISJ-UHFFFAOYSA-N
-rxn:4:178384:228864,CCOc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cn1,ZFPPZVNIDXASIU-UHFFFAOYSA-N
-rxn:4:178594:225558,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccccc1OCC1CCOC1,LUILCAGKMKGFCL-UHFFFAOYSA-N
-rxn:4:178597:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,SWNJNWBDJQKAKE-UHFFFAOYSA-N
-rxn:4:178597:225708,COc1nc2ccc(Cl)cc2cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,XGYMOLYNKNMTCJ-UHFFFAOYSA-N
-rxn:4:178597:227313,CCC(C)c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)cn1,JDBUDHDJZYXEKR-UHFFFAOYSA-N
-rxn:4:178597:228242,COc1cc(F)c(C)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,AIZVSVALZFCPKH-UHFFFAOYSA-N
-rxn:4:178597:228396,COc1cc(F)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)c1,NIGXAQCWHWYOHT-UHFFFAOYSA-N
-rxn:4:178598:224877,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(COC3CCCCC3)cc2)c1,QFUDTAKOLQHGIC-UHFFFAOYSA-N
-rxn:4:179114:223608,COc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc(F)c1C(F)F,QDLPJORJXBGMAB-UHFFFAOYSA-N
-rxn:4:179297:223683,CC(=O)c1cc(C(F)(F)F)cc(Cl)c1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,YDKPZTAZBVTMAN-UHFFFAOYSA-N
-rxn:4:179653:222699,FC(F)(F)c1cc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)ccc1C1CCCNC1,OWNLWVCEUSPZMF-UHFFFAOYSA-N
-rxn:4:180016:223608,Cc1cc(S(=O)(=O)C2CC2)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,SLSUHPVOVRMNRQ-UHFFFAOYSA-N
-rxn:4:180022:223813,COc1c(Cl)ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1C1OCCO1,YHWNEVSOLFHBRA-UHFFFAOYSA-N
-rxn:4:180489:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(C4CCCOC4)c3)cc2)CC1,KCQNGZQHAPSELM-UHFFFAOYSA-N
-rxn:4:180509:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc(OC)ccc2C=C2C(=O)OC(C)(C)OC2=O)c1,FUJCGMXAAVHIQZ-UHFFFAOYSA-N
-rxn:4:180792:224703,CCOC1CCC2(CC1)Cc1ccc(-c3cc(C4CCCC4)cc(C(F)(F)F)c3)cc1C2=O,DBFINFMLEHNDSH-UHFFFAOYSA-N
-rxn:4:180815:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c(F)c2)CC1,JVILWVNZZJYODK-OMPLAUKFSA-N
-rxn:4:182323:223815,COc1c(C)cc2c(c1-c1ccc(Cl)c(CN3CCC4(CC3)OCCO4)c1)C(=O)CCC2,IZJKSCQWRLJXNZ-UHFFFAOYSA-N
-rxn:4:182359:224782,COC1CCC2(CC1)Oc1ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc1C2=O,ZCAZBBOPDCKWTM-UHFFFAOYSA-N
-rxn:4:182372:224120,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CO[Si](C)(C)C(C)(C)C)c(C)c3)cc1C2=O,GCNAMSSWLPKDFM-UAHYGDRYSA-N
-rxn:4:182375:225737,CCCCOc1c(F)ccc(-c2ccc3c(c2)C(=O)CC(C2COCC(C)(C)C2)O3)c1F,WKCOZIQHSFFZJR-UHFFFAOYSA-N
-rxn:4:182376:224667,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cc3C2=O)C[C@@H]1C,RAQQRSPNHGQJKK-BFVWLKTBSA-N
-rxn:4:182376:225679,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCCC5)cc4F)cc3C2=O)C[C@@H]1C,PFAOXBFAEOTEAV-CCMMMYSXSA-N
-rxn:4:183150:223699,CC1CS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2O1,SSSZQSNATRDZHW-UHFFFAOYSA-N
-rxn:4:183271:223712,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc1C12CC3CC(CC(C3)C1)C2,JUXLZTUFOFMXAS-UHFFFAOYSA-N
-rxn:4:183272:228717,Cc1nn(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,LFGSJTDJYGAKRL-UHFFFAOYSA-N
-rxn:4:183273:226180,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCC2)n1,XDHNBTVJGHOFMI-UHFFFAOYSA-N
-rxn:4:183274:226778,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c(F)c1OC,FTBHZRBUNMYBFH-UHFFFAOYSA-N
-rxn:4:183511:222707,CCOC(=O)Cc1cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)cc(C#N)c1C(F)F,WAYHRHZPWNVOML-UHFFFAOYSA-N
-rxn:4:183521:222619,CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1-c1ccc(CNC(=O)C2CCCCC2)cc1,LRRPRSRPDIKOPJ-UHFFFAOYSA-N
-rxn:4:183596:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc([N+](=O)[O-])cc4OC(CC)C(=O)OC)c3C(=O)C1C2(C)C,ROZJHEIFGQIDJH-UHFFFAOYSA-N
-rxn:4:183597:223091,CN(C)C(=O)COc1ccc(OC(F)(F)F)cc1-c1cnc(NC(=O)OC(C)(C)C)s1,DXSIGWBUTJUFMK-UHFFFAOYSA-N
-rxn:4:183600:225325,CCOC(=O)c1cc(-c2cnc(OCCCS(C)(=O)=O)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1,QVUJIJGUTDANEE-UHFFFAOYSA-N
-rxn:4:183600:225384,CS(=O)(=O)CCCOc1ncc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc1C(F)(F)F,WALGVZYGYHVEET-UHFFFAOYSA-N
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-rxn:4:184923:226426,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCC4(F)F)c(OCC4CC4)c3)s2)CC1,IPGNVGYISMBFJK-UHFFFAOYSA-N
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-rxn:4:186561:223699,CCN(CC)Cc1cc(F)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,VMLVXSFYVZJETL-UHFFFAOYSA-N
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-rxn:4:189382:224409,N#CC1(c2ccc(C(F)(F)F)cc2-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)CCC1,IPOCKHBMRHMDQW-UHFFFAOYSA-N
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-rxn:4:189507:222795,O=C(Nc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cc1)N1CCOCC1,YXSRUAFAWNZOJL-UHFFFAOYSA-N
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-rxn:4:190123:223508,O=C(N1CCCC1)C1(c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2)CC1,YHPHQYVBCMWVQE-UHFFFAOYSA-N
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-rxn:4:190164:225380,O=S(=O)(c1ccccc1-c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCC(C(F)(F)F)CC1,IOPNDYKJXSRAIV-UHFFFAOYSA-N
-rxn:4:190173:226266,COC(=O)CCc1ccccc1-c1cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c(F)cc1F,JJDTUXFGIOQRBA-UHFFFAOYSA-N
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-rxn:4:190257:224325,COc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1OC1CCN(C)CC1,UCVUFTMNLREXRY-UHFFFAOYSA-N
-rxn:4:190316:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(CCN2CCCCC2C)ccc1F,VJQCRASHTMZHSM-UHFFFAOYSA-N
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-rxn:4:190353:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc(Cl)c(C(=O)N3CCC(c4ccccc4)C3)c2)c1,UMLMWEOVQWLYRF-UHFFFAOYSA-N
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-rxn:4:190355:224770,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,JQTYVHLSQXLQBZ-UHFFFAOYSA-N
-rxn:4:190373:222943,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(F)c(S(=O)(=O)NC2CC2)c1,QYCWNXGLHJMMTN-UHFFFAOYSA-N
-rxn:4:190374:222826,COc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1S(=O)(=O)N1CCCCC1C,CLZMTTICKRYIIP-UHFFFAOYSA-N
-rxn:4:190378:225308,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(C(F)(F)F)cc(C2CC2)c1Cl,JELDMMVHYXDQHG-UHFFFAOYSA-N
-rxn:4:190448:223052,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1cccc(C(=O)NC(C)C)c1F,PSJYUKUYAYMINB-UHFFFAOYSA-N
-rxn:4:190453:224830,Cc1ccccc1C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)o2)CCS1,OLWUICLDBSSTPO-UHFFFAOYSA-N
-rxn:4:190493:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(c2ccccc2)S(=O)(=O)CC1,SMKAKDVUAHWFPH-UHFFFAOYSA-N
-rxn:4:190828:223771,COc1ccc2c(c1)cc(-c1ccc3c(c1)N(C(=O)OC(C)(C)C)C(=O)C3)n2C(=O)OC(C)(C)C,VGZKLNGHLOXAOQ-UHFFFAOYSA-N
-rxn:4:190953:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,WGCMBFSKPPFMJR-UHFFFAOYSA-N
-rxn:4:190960:224011,CC1c2cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)ccc2CN1C(=O)OC(C)(C)C,UWNYPJUBKAJLOW-UHFFFAOYSA-N
-rxn:4:191006:225193,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(C3COCCO3)c(C#N)c2)cc1,GJQNEPLADFHJGT-UHFFFAOYSA-N
-rxn:4:191006:226583,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)s2)cc1,WHZCHBCSFVLFHU-UHFFFAOYSA-N
-rxn:4:191057:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC21CC1,RUMBUONGSMGYOS-UHFFFAOYSA-N
-rxn:4:191057:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c1,UJOHPSFDGYKNQP-UHFFFAOYSA-N
-rxn:4:191062:222624,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCNCC2)n1,AVIFSYGPOYJMJE-UHFFFAOYSA-N
-rxn:4:191062:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,XLCGGKBBRMVSND-UHFFFAOYSA-N
-rxn:4:191062:223250,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)NC(=O)CO2,ISCOOHYEVOVDJW-UHFFFAOYSA-N
-rxn:4:191062:224497,CCN1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)cc2)CC1,LHRXQRKMQDDYOC-UHFFFAOYSA-N
-rxn:4:191062:226142,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(OC2CCCC2)c1,IRAQWYLGWGBUGB-UHFFFAOYSA-N
-rxn:4:191072:227110,Cc1cc(Cl)c(-c2cc3c(s2)C2(CCN(C(=O)OC(C)(C)C)CC2)OC3)cc1C1CC1,OORIEWAKDOORTC-UHFFFAOYSA-N
-rxn:4:191072:228016,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cc(C4CCCC4)cs3)sc12,PLSPDBVLEGVYQQ-UHFFFAOYSA-N
-rxn:4:191097:224283,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)cc21,ZOQZFRZDWMQAQT-UHFFFAOYSA-N
-rxn:4:191097:226567,COC(=O)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,JZUOKYRMFXYQRO-UHFFFAOYSA-N
-rxn:4:191123:224848,CC[C@H]1CC[C@H](c2ccc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,YNRPJAXQXMPXCL-RQNOJGIXSA-N
-rxn:4:191124:226126,COCc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)ccc1C1CC1,GWQCYUPAYIBDLS-UHFFFAOYSA-N
-rxn:4:191125:227060,Cc1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1OC(C)C,ASIQGNDKXRHHED-UHFFFAOYSA-N
-rxn:4:191135:223583,COC(=O)c1ccc2c(-c3cccc(C4(C)CC(C)(C)N(C(=O)c5ccccc5)c5ccccc54)c3)cn(C(=O)OC(C)(C)C)c2c1,DUPTUDYPSNJCMU-UHFFFAOYSA-N
-rxn:4:191194:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc2c3c(cccc13)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O,RQLQRXZMCAREIV-UHFFFAOYSA-N
-rxn:4:191194:224620,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)ccc(c23)C1=O,FNLVBRBIVUAYJY-UHFFFAOYSA-N
-rxn:4:191195:223206,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cc3ccc(C#N)cc3[nH]1)c1c2CCC1,GRFCIQLETDARKR-UHFFFAOYSA-N
-rxn:4:191195:225708,COc1nc2ccc(Cl)cc2cc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,HGHIVMLSRWBHLZ-UHFFFAOYSA-N
-rxn:4:191195:226060,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cc(C3CC3)cc(C3CC3)c1)c1c2CCC1,KDBBRDXWXUETJN-UHFFFAOYSA-N
-rxn:4:191195:228339,COC(=O)c1cnccc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,FUQAEQVTENXZFI-UHFFFAOYSA-N
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-rxn:4:207562:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(Cl)s3)n4C)ccc2OC(F)(F)F)CC1,ADZDDNQXLRMSOX-UHFFFAOYSA-N
-rxn:4:207624:223583,COC(=O)c1ccc2c(-c3cncc4c3CCN4C(=O)C(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1,TYYLWCWZXWEUKF-UHFFFAOYSA-N
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-rxn:4:207852:223683,Cc1ccccc1N1C(=O)N(c2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)C2CS(=O)(=O)CC21,HQUHJGMZRLYTFR-UHFFFAOYSA-N
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-rxn:4:212627:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCC(COc4cc(C#N)ccn4)C3)cc2)CC1,MWSXRJXKRSFCCO-UHFFFAOYSA-N
-rxn:4:212631:226092,CCCCOc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c(C)c1,GMUXYZPNBXLQSB-UHFFFAOYSA-N
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-rxn:4:212650:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)c(Cl)c2)CC1,AMEDOMROCMTCNR-UHFFFAOYSA-N
-rxn:4:212665:222694,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)C1,SZZFYPWMOXEWHL-UHFFFAOYSA-N
-rxn:4:212669:225269,COC(=O)c1ccc(-c2ccc(OC)cc2C(=O)N2CCC(Oc3ncc(OC)cn3)CC2)c(C(=O)OC)c1,CHHDWFBDWOFNGQ-UHFFFAOYSA-N
-rxn:4:212696:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)cc1,GHHNVFOTXWIREG-UHFFFAOYSA-N
-rxn:4:212729:223492,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)cc4)C3)n2)cc1OC,GCINSIODSRQZNE-UHFFFAOYSA-N
-rxn:4:212740:224019,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)CC1,BRRKGCPEFZXVGL-UHFFFAOYSA-N
-rxn:4:212748:227274,CC(=O)SCc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,PIDUBPCWVXYJRC-UHFFFAOYSA-N
-rxn:4:212756:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc([N+](=O)[O-])s3)n4CCOC)c2)CC1,LRFCQMQZXVYPGN-UHFFFAOYSA-N
-rxn:4:212798:223499,CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)c2cccc(OCc3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)c2C1=O,WHTAQXXFIVUNGZ-UHFFFAOYSA-N
-rxn:4:212908:224666,CCOC(=O)N1CCCC(Oc2ncc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cn2)C1,BBHWSDAOKSLJMY-UHFFFAOYSA-N
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-rxn:4:213073:226517,COc1cc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1C#N,BHKHTORFRFNJPT-UHFFFAOYSA-N
-rxn:4:213080:227212,CCCCOc1ncccc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,JAJQGFZLALMVMN-UHFFFAOYSA-N
-rxn:4:213097:223858,COc1cc2c(cc1-c1ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc1)-c1ccccc1C2(C)C,WVXQRTCTXSSCQR-UHFFFAOYSA-N
-rxn:4:213100:224262,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c(C(F)(F)F)n2)CC1,RSPZORCLYMOVKI-UHFFFAOYSA-N
-rxn:4:213106:222826,COc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,YRYQJVLWQZMSEA-UHFFFAOYSA-N
-rxn:4:213132:224718,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,QGOIGCFETHDMSF-UHFFFAOYSA-N
-rxn:4:213132:225172,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,VCPJBAZDLPKBQO-UHFFFAOYSA-N
-rxn:4:213135:225518,CCCCCOc1ncc(C)cc1-c1cnc(OC2CCN(C(=O)CC(C)(C)C)CC2)nc1,JQPAENRDBFKHSE-UHFFFAOYSA-N
-rxn:4:213140:224262,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc([N+](=O)[O-])c2)CC1,DHBKAAGVJITSFP-UHFFFAOYSA-N
-rxn:4:213143:228347,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC4)nc3)ccc2[N+](=O)[O-])CC1,RMGDZKXKKRLVAA-UHFFFAOYSA-N
-rxn:4:213178:225313,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)c(C)o1,PBSSWFZHKBOKQT-UHFFFAOYSA-N
-rxn:4:213184:223814,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)CC2)nc1,VHFRQTDPUMTFFC-UHFFFAOYSA-N
-rxn:4:213191:227504,CC(C)Oc1ncc(Cl)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,DMNRQKZSZHXDFL-UHFFFAOYSA-N
-rxn:4:213217:227027,CCN1CCN(c2ncc(-c3ccccc3C3(C#N)CC3)cc2C(=O)OC(C)(C)C)CC1,ABCJESZEOKCDLS-UHFFFAOYSA-N
-rxn:4:213217:227227,CCN1CCN(c2ncc(-c3ccc(OCC4CC4)nc3)cc2C(=O)OC(C)(C)C)CC1,GKKZBWLYUFJHRP-UHFFFAOYSA-N
-rxn:4:213226:223553,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)c2)[nH]1,XOSMJDWPACFROH-YTTGMZPUSA-N
-rxn:4:213243:223279,O=C(CN1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1)N1CCOCC1,LUZHCOFKZXBLLI-UHFFFAOYSA-N
-rxn:4:213268:222867,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,KJMUCFAMQCXCGN-DFBJGRDBSA-N
-rxn:4:213268:222906,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cnccc4NC(=O)OC(C)(C)C)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,DWAUFMSDYQAFME-UUOWRZLLSA-N
-rxn:4:213268:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-c4c[nH]c([C@@H]5C[C@H](C)CN5C(=O)OC(C)(C)C)n4)cc3)c(F)ncc21,VOIOVAZFWINUKW-OUTSHDOLSA-N
-rxn:4:213336:224429,COC(=O)c1nc(-c2ccc3cc(OCC(C)C)ccc3c2)n2c1CCN(C(=O)OC(C)(C)C)CC2,IVVKVUAHSHCZDR-UHFFFAOYSA-N
-rxn:4:213338:225949,Cc1cn(-c2ncc(-c3ccc(N4C(SCC(=O)N(C)C)=NC5CS(=O)(=O)CC54)c(F)c3)c(C)n2)cn1,FEQYGOWUMVMSAI-UHFFFAOYSA-N
-rxn:4:213354:224878,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3ccccc3COC3CCCCC3)cn1)C2,BLNQRTVYYMHMRJ-UHFFFAOYSA-N
-rxn:4:213384:223598,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)CC3)[nH]c2c1,MPILZFHTAYHESH-UHFFFAOYSA-N
-rxn:4:213428:225747,Cc1ccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)n1C(=O)OC(C)(C)C,NZPBYTQKGKEMNX-MHZLTWQESA-N
-rxn:4:213459:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,MQRYUVOILMQGFF-XZZJRJTHSA-N
-rxn:4:213459:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,ZBTGBQXAOLUTMY-YITPRAEKSA-N
-rxn:4:213471:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc(S(=O)(=O)N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)cc3)cc21,QVSZNZKWVZXTRZ-UHFFFAOYSA-N
-rxn:4:213474:223959,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)ccc2Cl)CC1,DCHLLXDXLKIXGW-UMSFTDKQSA-N
-rxn:4:213480:222584,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZMZNNNOQXLXQSC-NHZPJIEJSA-N
-rxn:4:213480:222942,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(S(=O)(=O)NC5CC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CSVLZEZEOPBZHK-XKMOLYPPSA-N
-rxn:4:213480:224753,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZOYSHJXEJNZSLE-IYYFJEEQSA-N
-rxn:4:213480:226500,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(Cl)cnc4OCC(C)C)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,BGKPDAGIFAENKL-UCKIBBKRSA-N
-rxn:4:213481:222889,COC12CC(COC(=O)c3cncc(-c4cc(F)cc(CN5CCNCC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,KCLHMHPVKXWEOK-UHFFFAOYSA-N
-rxn:4:213505:223835,COC(=O)Cn1c(C)nc([N+](=O)[O-])c1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,SUAFBWALEANUGU-UHFFFAOYSA-N
-rxn:4:213578:222466,O=C(c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)o1)N1CCC(Oc2cnsn2)C1,ZOUWIIPMMWAODM-UHFFFAOYSA-N
-rxn:4:213629:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccnn2C2CN(C(=O)OC(C)(C)C)C2)c1,XXZDXYDIBFUQIZ-UHFFFAOYSA-N
-rxn:4:213645:223520,CC(c1ccc(-c2ccc(C(=O)N3CC(Cn4cc(Cl)cn4)C3)c(F)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,KPQHFLGAVXFVLV-UHFFFAOYSA-N
-rxn:4:213653:222432,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)c1)N1CC(CN2C(=O)COC2=O)C1,FSJGXKIEVMGSDK-UHFFFAOYSA-N
-rxn:4:213680:225558,O=[N+]([O-])c1cc(F)c(-c2ccccc2OCC2CCOC2)cc1N1CCN(CC(F)(F)F)CC1,OAPQHLJGOGNTBO-UHFFFAOYSA-N
-rxn:4:213705:223753,Cc1ccc(-c2cncc(C(=O)N3CCC(Oc4ccncc4Cl)C3)c2)cc1OCCCN1CCN(C)CC1,FENNSFCWDGTSKU-UHFFFAOYSA-N
-rxn:4:213712:224199,CC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CCN(CC(C)C)C4)c3)cc2)CC1,HOROPMOPKFUKRK-UHFFFAOYSA-N
-rxn:4:213716:224619,CC(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCN4CCCC4)c(F)c3)cn2)CC1,JGFBGHFDUSDEQL-UHFFFAOYSA-N
-rxn:4:213723:224309,CCN1CCN(C(=O)Cc2cncc(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)c2)CC1,LTIMLWWMESMHDN-UHFFFAOYSA-N
-rxn:4:213725:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CC(c5nc(C6CC6)no5)C4)cc3)ccc2C)CC1,QLAVFEKZXZIJPO-UHFFFAOYSA-N
-rxn:4:213735:222632,Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccccc2-c2cccc(C(=O)NCCN3CCCC3)c2)C1,GDZAJWFWMPTTSB-UHFFFAOYSA-N
-rxn:4:213739:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncc(Cl)cn3)C2)cc1,PHAGWAVHLKEMMJ-UHFFFAOYSA-N
-rxn:4:213798:223008,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(C4CCNCC4)ccc3F)cn2)C1,GCSHLVZZZKZCJN-UHFFFAOYSA-N
-rxn:4:213798:225883,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnc(C4CCOCC4)c(Cl)c3)cn2)C1,XORJJGMGGRYZIF-UHFFFAOYSA-N
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-rxn:4:215932:222466,CC1CCCCN1Cc1nn(C)cc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,GKSTVWZYPIFKQV-UHFFFAOYSA-N
-rxn:4:215943:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,BCFCMMQLDGGMDW-UHFFFAOYSA-N
-rxn:4:215944:223785,CCN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2Cl)CC1,KKKZTTZXAQAHSP-UHFFFAOYSA-N
-rxn:4:215944:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(N2CCC(N(C)C)CC2)n1,AVIXVLJWRCRVSL-UHFFFAOYSA-N
-rxn:4:215945:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(N4CCC(N(C)C)CC4)ccn3)c2)CC1,OKUCNJBYQMKYTR-UHFFFAOYSA-N
-rxn:4:215950:224011,CCN1CCN(c2ncc(C)cc2-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)CC1,BYUFMOWNKUYKLD-UHFFFAOYSA-N
-rxn:4:215956:222584,CN(C)C1CCN(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,GTKQHQBARMRXRK-UHFFFAOYSA-N
-rxn:4:215957:222584,CN(C)C1CCN(c2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,NABJTDMVYAWIHQ-UHFFFAOYSA-N
-rxn:4:215961:222826,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1,VNOBWFQZXVYUKM-UHFFFAOYSA-N
-rxn:4:215985:226117,Cc1cc(-c2ccc(N3C(=O)CC(N4CCN(C)CC4)C3=O)cc2)ccc1OCC(C)C,FZZTZQURGMREDH-UHFFFAOYSA-N
-rxn:4:215990:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCN(C3CCN(C)CC3)CC2)cc1,MSINSYIMUYAHGA-UHFFFAOYSA-N
-rxn:4:216159:222682,COc1cccc(-c2nc3c(c(C#N)c2C#N)CCCCCC3)c1NC(=O)OC(C)(C)C,JUPKGMDOIWJHBY-UHFFFAOYSA-N
-rxn:4:216213:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2nc([C@@H]3CCCN3C(C)=O)[nH]c2c1,WINGUYVBJXMBTI-DEOSSOPVSA-N
-rxn:4:216231:222628,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,FRLZVVDSLOOIRR-UHFFFAOYSA-N
-rxn:4:216319:225228,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)cc4F)ccc3S2(=O)=O)n1,IEAYUFJLNBGUJN-UHFFFAOYSA-N
-rxn:4:217200:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(F)(F)CC3)c(C)n2)CC1,TUCAUDFFCCERLL-UHFFFAOYSA-N
-rxn:4:217865:223726,C=C1CC2CCC(C1)N2c1ncc(-c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2F)cn1,NTFVFEOZRPDJKC-KCKVDPLKSA-N
-rxn:4:218655:223474,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)CC1,DPKLRJMEPHVNAK-UHFFFAOYSA-N
-rxn:4:218662:224687,CN(C)c1cccc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC(=O)CC5)c4)cn3)CC2)c1,GFLLDFFIHJZKMW-UHFFFAOYSA-N
-rxn:4:218675:226545,CCCOc1c(Cl)ccc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)c1F,YROSXODBCNFQPC-UHFFFAOYSA-N
-rxn:4:218682:225984,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)CC1,LWUGOTLTZZTBLL-UHFFFAOYSA-N
-rxn:4:218785:225979,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc1-2,XRYZVNSYZCFXFW-UHFFFAOYSA-N
-rxn:4:218824:222585,CN(CC1CN(c2ncc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1)S(=O)(=O)C1CC1,NXTHAKLCJBOGHF-UHFFFAOYSA-N
-rxn:4:218867:223167,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCNCC4)c3)c2)no1,XMWALGQXWFKHGE-UHFFFAOYSA-N
-rxn:4:218867:225407,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4CCCCCC4)cc3)c2)no1,CCTKWRRJWBGFNW-UHFFFAOYSA-N
-rxn:4:218867:227656,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCOCC4)cs3)c2)no1,FTFUGNZGVXYGLN-UHFFFAOYSA-N
-rxn:4:218868:223186,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnn(C4CCCCO4)c3)cc2)no1,GFDRCSYLPQMHTJ-UHFFFAOYSA-N
-rxn:4:218868:224426,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)no1,HIPTWBCSPAPVKA-UHFFFAOYSA-N
-rxn:4:218868:225047,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCC(C)CC4)c(C)c3)cc2)no1,ORARDYQNSHLZRY-UHFFFAOYSA-N
-rxn:4:218868:225408,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)no1,VKOFQCHTFUNVKE-UHFFFAOYSA-N
-rxn:4:218868:226141,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccccc3OC3CCCC3)cc2)no1,VYIVWNOWGURADQ-UHFFFAOYSA-N
-rxn:4:218883:222604,COc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cccnc4)C3)nc2)cc1S(=O)(=O)NC1CCCC1,MFUDSWQTLYDUGI-UHFFFAOYSA-N
-rxn:4:218886:223602,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,GTLJRUIGNCMGMJ-UHFFFAOYSA-N
-rxn:4:218886:223811,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)C1,NSTLLHSYKKXJJR-UHFFFAOYSA-N
-rxn:4:218945:227517,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(OC4COC4)nc3)cncc2[N+](=O)[O-])CC1,XOQSUNDIVYLWCC-UHFFFAOYSA-N
-rxn:4:218972:225007,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cccc(CN5CCCCC5)c4F)cn3)C2)s1,QNDGGEHLPORZCP-UHFFFAOYSA-N
-rxn:4:218991:224198,CCN1CCN(Cc2ccc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,OZHXFCFOFNJSMC-UHFFFAOYSA-N
-rxn:4:218994:223602,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)s1,OBBHJKOJUVXXEQ-UHFFFAOYSA-N
-rxn:4:219013:224979,CC1CN(c2c(-c3ccc(-n4ccnc4)cc3C3CC3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,ULZDEYGHIPIQRH-UHFFFAOYSA-N
-rxn:4:219042:222984,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1ccc(CN2CCC(O)C2)cc1,RPVBZLRCBHKRGN-UHFFFAOYSA-N
-rxn:4:219048:222900,CC(C)(C)OC(=O)NCc1cc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cs1,HUJHPBGXIFEJEO-UHFFFAOYSA-N
-rxn:4:219063:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccnc3OC3CCN(C(=O)c4cc(-c5ccccc5)nn4C)CC3)c2)C1,QMQKSGJYFJQOED-UHFFFAOYSA-N
-rxn:4:219073:223915,Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCC5)c4)CC3)cc2)cnc1N(C)C(=O)c1ccccc1,AUOHIXWFXFCHAS-UHFFFAOYSA-N
-rxn:4:219120:224592,N#CC1(c2ccc(F)c(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2)CCCCC1,KEOHQFCYPPVATN-UHFFFAOYSA-N
-rxn:4:219130:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2)CC1,WRZBZGFUWRZPDQ-UHFFFAOYSA-N
-rxn:4:219264:223608,O=S(=O)(c1cc(-c2cnn(CC3CN(Cc4cccnc4)C3)c2)ccc1OC(F)(F)F)N1CCOCC1,UTXOENXCSYILMR-UHFFFAOYSA-N
-rxn:4:219275:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cnn(CC3CN(c4ccc(C(F)(F)F)cn4)C3)c2)CC1,KAAZAJWWABEKNF-UHFFFAOYSA-N
-rxn:4:219338:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(OC4CCN(C(=O)N(C)C)CC4)nc3)cc21,GGGDPHPQFRBUSI-UHFFFAOYSA-N
-rxn:4:219353:224325,CN(C)S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,GNRSCEKYQMPKKV-UHFFFAOYSA-N
-rxn:4:219369:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2nnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2C)c1,INZXWHHFQZCJLL-HXUWFJFHSA-N
-rxn:4:219375:222853,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(CN4CCC(O)CC4)cc3)nn2)C1,RSDDGEPHSPXLSX-UHFFFAOYSA-N
-rxn:4:219384:222584,Fc1cc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)ccc1OCCCN1CCNCC1,KDBINTVPNSJKMY-UHFFFAOYSA-N
-rxn:4:219400:222989,Cc1cc(N2CCNCC2)ccc1-c1cncc(C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,MXEZKGLMEMTOPJ-UHFFFAOYSA-N
-rxn:4:219405:223945,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,PXEYCRNDXPMUJI-UHFFFAOYSA-N
-rxn:4:219406:224373,COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1S(=O)(=O)N1CCCC1,OEMQTONRVQDCAR-UHFFFAOYSA-N
-rxn:4:219414:226477,CCCCOc1ncc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C#N)c1,KPVBWEDNTIPQHT-UHFFFAOYSA-N
-rxn:4:219432:222723,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(NS(=O)(=O)N4CCOCC4)c3)C2)cn1C,RPFLAUJZNVYLSI-UHFFFAOYSA-N
-rxn:4:219436:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cc1Cl,VJGAMIJJEHSNBC-UHFFFAOYSA-N
-rxn:4:219473:223945,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCOCC2)c(F)c1,RRJBARCNPGDZMG-UHFFFAOYSA-N
-rxn:4:219473:224000,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1cnc(-c2cccc(C(F)(F)F)c2)c(Cl)c1,YTLBZEXYXINMEA-UHFFFAOYSA-N
-rxn:4:219500:223438,N#Cc1cc(-c2cn[nH]c2C(F)(F)F)cnc1N1CCCC(C(=O)N2CCSCC2)C1,XFCDDRZILUVYIT-UHFFFAOYSA-N
-rxn:4:219500:226844,N#Cc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,FOUCEKHBDGUYGV-UHFFFAOYSA-N
-rxn:4:219501:227292,CSc1ncc(-c2ccc(F)c(CN(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,ATDJKYTWJBFTLT-UHFFFAOYSA-N
-rxn:4:219506:225469,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)C1,KHVIKMSUUQOVKK-UHFFFAOYSA-N
-rxn:4:219523:223810,Cc1cc(-c2ccccc2C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,VINYGALCWAYXMQ-UHFFFAOYSA-N
-rxn:4:219530:225569,COC(=O)c1cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)ccc1C1CC1,QMUYKHDCHRRWEX-UHFFFAOYSA-N
-rxn:4:219535:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1,SLIRYVDNKVISLD-UHFFFAOYSA-N
-rxn:4:219543:225867,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(N5CCCCC5)c4)cc3)CC2)n1,JIQGKXFWHVNGLK-UHFFFAOYSA-N
-rxn:4:219552:222584,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,LWEWHFCRBXHGTD-UHFFFAOYSA-N
-rxn:4:219552:227480,CCCOc1nccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1Cl,JZSKOSICGOVFQI-UHFFFAOYSA-N
-rxn:4:219554:223570,CC(=O)N1N=C(c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)CC1c1cn(-c2ccccc2)nc1C,NEGOPNMTBPRITG-UHFFFAOYSA-N
-rxn:4:219565:226420,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(F)c(N5CCCC5)c4)cc3)CC2)n1,KSGLFMNAOFKBRO-UHFFFAOYSA-N
-rxn:4:219565:227403,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)s4)cc3)CC2)n1,SBUDQLNHKHJKDT-UHFFFAOYSA-N
-rxn:4:219624:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)CC1,UYAKFEVOZUHHHY-UHFFFAOYSA-N
-rxn:4:219653:225223,CC1CCN(c2cc(F)c(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cn2)CC1,IJOBWMDHPUXQNY-UHFFFAOYSA-N
-rxn:4:219654:222959,Cc1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)ccc1C1CCNCC1,WZZWMWCACSBQBZ-UHFFFAOYSA-N
-rxn:4:219654:225212,CN1CCN(c2cc(F)cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,HLONYZPYRSJFTP-UHFFFAOYSA-N
-rxn:4:219660:222538,O=C(c1cncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1)N1CC(n2c(C3CC3)nc3ccccc32)C1,CPSYJDFDOVTCCW-UHFFFAOYSA-N
-rxn:4:219717:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(CC(=O)N3CC4CN(c5nccc(C)n5)CC4C3)cc1)n2C(=O)OC(C)(C)C,KZBNARFLXJZJOK-UHFFFAOYSA-N
-rxn:4:219759:223817,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnn(CCN5C(=O)c6ccccc6C5=O)c4)cc2)OC3)CC1,YIIUZBYILCOJBN-UHFFFAOYSA-N
-rxn:4:219770:223815,O=C(c1ccccc1)N1CCN(c2nc(-c3ccccc3)c3cc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)ccc3n2)CC1,LZGUIAQRCIROPX-UHFFFAOYSA-N
-rxn:4:219850:223606,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)o1)N1CCN(c2cnsn2)CC1,NSACLIINEFJUAN-UHFFFAOYSA-N
-rxn:4:219880:225213,CSc1ncc(-c2ccc(N3CCN(C)CC3)cc2Cl)c(N2CCN(S(C)(=O)=O)CC2)n1,DAQHXIUWFATPLD-UHFFFAOYSA-N
-rxn:4:219882:223979,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCN(c3cnsn3)CC2)cc([N+](=O)[O-])c1)N1CCCCC1,ZWMJYPAUEWDWTO-UHFFFAOYSA-N
-rxn:4:219892:224361,CCN(CC)S(=O)(=O)c1cc(-c2cnc(N3CCC(N(C)C(C)=O)CC3)nc2)ccc1OC,GIQNBDDQCRFVCK-UHFFFAOYSA-N
-rxn:4:219902:222775,CC(C)N1CCN(c2c(-c3ccc(CN4CCC(O)CC4)c(F)c3)cncc2[N+](=O)[O-])CC1,MBQDRTKNIPJCFR-UHFFFAOYSA-N
-rxn:4:219904:225805,CC(c1ccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)s1)N1CCOCC1,XDLSAWXRCHLZLL-UHFFFAOYSA-N
-rxn:4:219908:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(-c2nc(C#N)c(N3CCCN(C)CC3)o2)o1,ZEVNUCRIWJYHNE-UHFFFAOYSA-N
-rxn:4:219934:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)c1,BIOUZLVCTUANBN-UHFFFAOYSA-N
-rxn:4:219934:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2)CC1,CDWROMYLIKSEIZ-UHFFFAOYSA-N
-rxn:4:219934:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)CC1,RVFNJZJSCCMJJM-UHFFFAOYSA-N
-rxn:4:219950:222828,CSc1ncc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c(N2CCN(C3CCC3)CC2)n1,ZNSDNBSUNRUWBV-UHFFFAOYSA-N
-rxn:4:219959:222901,CCCS(=O)(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,COJSWRKBEKYHHA-UHFFFAOYSA-N
-rxn:4:219988:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,FCEDEXDXLUMEIV-UHFFFAOYSA-N
-rxn:4:219988:223712,COc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,WBOCWLSXNAXIDW-UHFFFAOYSA-N
-rxn:4:220136:222522,COc1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1S(=O)(=O)N1CCC(O)CC1,BEGBBVQGQSWJTH-UHFFFAOYSA-N
-rxn:4:220136:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,BRJGGRIIVQCKKV-UHFFFAOYSA-N
-rxn:4:220156:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4Cn5nnc(C(=O)N6CCSCC6)c5CO4)cc3)ccc2F)CC1,ATCBRIGQEMYBNR-UHFFFAOYSA-N
-rxn:4:220162:225507,COC(=O)C1CCc2cc(-c3cnc(SC)nc3N3CC(N4CC5CCCC5C4)C3)ccc21,LDNIPYNCHPYUBX-UHFFFAOYSA-N
-rxn:4:220207:223812,Cc1cc(N2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nc2ccccc12,WLRYBMDDMWPLSN-UHFFFAOYSA-N
-rxn:4:220240:223776,Cn1cc(-c2nc(-c3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21,JXMCJHIAMKAMAP-UHFFFAOYSA-N
-rxn:4:220432:223845,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)CC2)n1,JAQASHQFHWEBGE-UHFFFAOYSA-N
-rxn:4:220533:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,CSSDZKHNQNMRPA-UHFFFAOYSA-N
-rxn:4:221103:223019,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NCCC#N)c4)cn3)C2)cn1,GJSDEQPCDGKCOM-UHFFFAOYSA-N
-rxn:4:221108:224718,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)c(=O)c1C,PKFYJNLDMIVKKE-UHFFFAOYSA-N
-rxn:4:221110:228183,COCc1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)ccc1Cl,QTXIQJYGJQJHDI-UHFFFAOYSA-N
-rxn:4:221116:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,TZUWNYFJJOBTCE-UHFFFAOYSA-N
-rxn:4:221160:224393,Cc1nc(CN2CCCC(COc3ncc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cn3)C2)no1,GKMUPEYJTSMODI-UHFFFAOYSA-N
-rxn:4:221193:222735,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NC5CCCCC5)c4)cn3)C2)CC1,LCBZVWPBKFNDDG-UHFFFAOYSA-N
-rxn:4:221209:223602,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3)CC2)n1,DMYYMSHEPVRJQU-UHFFFAOYSA-N
-rxn:4:221217:223997,Cc1cc(-c2ccc(-c3ccc4nnc(SCC(=O)N5CCCC5)n4n3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,HYAWOEUFCFEBLQ-UHFFFAOYSA-N
-rxn:4:221245:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)cc2)CC1,AUZAKLXWWBYBGH-UNWRIRMBSA-N
-rxn:4:221245:225166,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(C(=O)N6CCCC6)c(F)c5)c4)CC3)nn2c1C,KMGBHDJRCJVIJZ-UHFFFAOYSA-N
-rxn:4:221317:223712,COc1ccc(-c2cnn(CC3CN(c4nnc(C(C)C)s4)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,JQCKMENIQCWKBA-UHFFFAOYSA-N
-rxn:4:221324:222602,CC(C)Cc1cc(-c2cnn(CC3CN(c4cc(C5CC5)ncn4)C3)c2)c(S(=O)(=O)NC(C)(C)C)s1,SQRHPLYSCLVPPE-UHFFFAOYSA-N
-rxn:4:221387:223945,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)c1C,XPDMTBTULOAWOO-UHFFFAOYSA-N
-rxn:4:221411:224587,CC1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)c3)cc2F)CC1,XIMVXTRVICOAIX-UHFFFAOYSA-N
-rxn:4:221440:226845,COc1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,QFROWOSJGXVFAE-UHFFFAOYSA-N
-rxn:4:221449:223121,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CC5)cc4)cc3)CC2)n1,NRBGOAUVZQSSSW-UHFFFAOYSA-N
-rxn:4:221453:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,ZXUQRJIVIZVAIN-UHFFFAOYSA-N
-rxn:4:221456:228435,CSc1ccc(F)c(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,CGANGONQKQQEOU-UHFFFAOYSA-N
-rxn:4:221456:228441,CSc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(Cl)c1F,FVMKIZPIVXSEEU-UHFFFAOYSA-N
-rxn:4:221832:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,BRMDXIHLTPSEKU-UHFFFAOYSA-N
-rxn:4:221832:224017,O=S1(=O)N=C(N2CCN(c3ncc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cn3)CC2)c2ccccc21,DEQWWEXAAMYMHJ-UHFFFAOYSA-N
-rxn:4:221836:223997,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,ADAUPSXDRHKDME-UHFFFAOYSA-N
-rxn:4:221836:224178,CN1CCN(CCOc2cccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,OIPPLHCGEGYJMI-UHFFFAOYSA-N
-rxn:4:221836:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,NPNRPWRDEBEIFW-UHFFFAOYSA-N
-rxn:4:221836:225212,CN1CCN(c2cc(F)cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,JRDWXVPEVVHOIJ-UHFFFAOYSA-N
-rxn:4:221836:225213,CN1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(Cl)c2)CC1,QOAHZKKQPPHVRN-UHFFFAOYSA-N
-rxn:4:221917:224192,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cc(F)ccc5CN5CCN(CC)CC5)c4)CC3)nn2)n1,YTQMTCICIJMILS-UHFFFAOYSA-N
-rxn:4:221960:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(C(=O)N3CCC(n4cc(-c5nc(C6CC6)no5)nn4)CC3)c2)c1,JDBCIWZEDODEBM-UHFFFAOYSA-N
-rxn:4:221967:222462,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)cc2)c1=O,TYBCTLPGUOHTLE-UHFFFAOYSA-N
-rxn:4:221986:222896,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)CC1,QJDRBQLMCCSZTD-UHFFFAOYSA-N
-rxn:4:222001:223638,CSc1ncc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c(N(C)C2CN(c3cnccn3)C2)n1,NCAAIQILODJFAV-UHFFFAOYSA-N
-rxn:4:222021:223712,COc1ccc(-c2cnc(N3CCC(CN(C)c4ncnc(C)c4F)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,AJWKQILQAGOABB-UHFFFAOYSA-N
-rxn:4:222027:225664,CN(C)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(N4CCCCC4)cc3Cl)CC2)nn1,FHQNZGNFUSZPBB-UHFFFAOYSA-N
-rxn:4:222056:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)c1,QNJJCLBOECZKKV-UHFFFAOYSA-N
-rxn:4:222062:228261,CSc1ccc(F)c(C)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,JVQANJSOMMJXPD-UHFFFAOYSA-N
-rxn:4:222062:228430,CSc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)c1,UMCLDSSHASMFDK-UHFFFAOYSA-N
-rxn:4:222062:228643,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(Cl)c4C)cc3)CC2)n1,JCPLMAFRQWKNDT-UHFFFAOYSA-N
-rxn:4:222062:228779,COc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,AJOKMZYEWOVLOA-UHFFFAOYSA-N
-rxn:4:222062:228800,CSc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,YJDVOJODAHMMHC-UHFFFAOYSA-N
-rxn:4:222062:228811,CSc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,ZPZMJZWSYAJSEA-UHFFFAOYSA-N
-rxn:4:222062:228827,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4C)cc3)CC2)n1,QGQNSYCVAYXOSB-UHFFFAOYSA-N
-rxn:4:222062:228844,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(F)c4C)cc3)CC2)n1,TTXJGTLIUNYLBP-UHFFFAOYSA-N
-rxn:4:222062:228919,CSc1ncc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,JWOIABYPAFHLLO-UHFFFAOYSA-N
-rxn:4:222062:228923,CSc1ccnc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,PUZICSGLQAOIDS-UHFFFAOYSA-N
-rxn:4:222062:228925,CSc1cnc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,APBXOAWNQSBJTP-UHFFFAOYSA-N
-rxn:4:222062:228930,CSc1c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccnc1F,MCGWKEYNRIVXAR-UHFFFAOYSA-N
-rxn:4:222089:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,LUTBVILUNJXTSG-UHFFFAOYSA-N
-rxn:4:222093:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(-n4nnc5c(=O)n(CCN6CCCCC6)cnc54)cc3)cc2F)CC1,RLQGZGMBSBGELW-UHFFFAOYSA-N
-rxn:4:222108:223684,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(OCc7cccnc7)ccc6OC(F)(F)F)cc5)no4)C3C2=O)cc1F,QWFFUEGHXZVHKH-UHFFFAOYSA-N
-rxn:4:222112:223595,Cc1nc2ccc(OCC3CCN(c4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cn4)CC3)nn2c1C,NCNDJKNGLLBWAU-UHFFFAOYSA-N
-rxn:4:222120:223569,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc7c(ccn7[Si](C(C)C)(C(C)C)C(C)C)c6F)cc5)no4)C3C2=O)cc1C,NATIZGTVQQHKEA-UHFFFAOYSA-N
-rxn:4:222127:224061,CCCC1CCC(c2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6nn(C)c7ccccc67)CC5)[nH]n4)cc3)c(F)c2)CC1,WYRUUNXMLIGTLW-UHFFFAOYSA-N
-rxn:4:222136:224407,CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCC(F)(F)C6)c5)cc4)nnn3c3ccccc23)CC1,VWHLYQFLSINHLF-UHFFFAOYSA-N
-rxn:4:222161:223671,Cn1nc(C2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n(C2CC2)c1=O,RCPRHCDSCIUSAD-UHFFFAOYSA-N
-rxn:4:222180:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC4CN(c5ccc(C#N)cn5)CC43)nc2)CC1,IEMMIJUUNBZQDF-UHFFFAOYSA-N
-rxn:4:222203:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCN(c5nccn6nc7c(c56)CCCC7)CC4)c3)c(F)c2)CC1,GXVQUOMVMPGSLE-MCZWQBSQSA-N
-rxn:4:222229:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c(F)c2)CC1,BNNJMVGBEQUEHJ-UHFFFAOYSA-N
-rxn:4:222276:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccccc3C(=O)N3CCN(c4ncnc5c4nnn5Cc4ccccc4)CC3)cn2)CC1,OZOJZMCHTPVOPK-UHFFFAOYSA-N
-rxn:4:222297:222603,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cc(OC)c(NC(=O)OC(C)(C)C)cc5Cl)o4)CC3)ncnc21,IJYYNQXMVBOBJK-UHFFFAOYSA-N
-rxn:4:222367:222855,COc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)cc(C2CCCNC2)c1,PWBZZQRMZFAWSB-UHFFFAOYSA-N
-rxn:4:222380:222432,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)NC7CCCCC7)c7ccccc67)cn5)CC4C3)ncnc21,XULOEWYWGWNBRM-UHFFFAOYSA-N
-rxn:4:222380:223982,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(N7CCN(S(=O)(=O)CC)CC7)cc6)cn5)CC4C3)ncnc21,XGHHGAPEJYXNHQ-UHFFFAOYSA-N
-rxn:4:222389:175354,CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,RJEIERVWMJXKGU-JTHBVZDNSA-N
-rxn:4:222389:214694,CC(C)N1CCOC(Cn2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)C1,KYCXNLNPVHRNRR-UHFFFAOYSA-N
-rxn:4:222581:187669,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)c2ccccc12,FGTYTDBYNFGBJM-UHFFFAOYSA-N
-rxn:4:222602:215820,CC(C)Cc1cc(-c2ccc(OC3CCN(C)CC3)nn2)c(S(=O)(=O)NC(C)(C)C)s1,RPGXBPHYWWHAEK-UHFFFAOYSA-N
-rxn:4:222612:207616,N#CC1=CN(c2ccc(F)cc2-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)c2ccccc2S1(=O)=O,GVMUNRUNAXGSOL-UHFFFAOYSA-N
-rxn:4:222680:216245,COc1c(NC(=O)OC(C)(C)C)cccc1-c1cnc2c(c1)N(C(=O)C(C)(C)C)CCN2C,NMWGTOQWXJBVND-UHFFFAOYSA-N
-rxn:4:222723:204756,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1)N1CC(N2CC3CCCC3C2)C1,XAELHPNJKJRVOL-UHFFFAOYSA-N
-rxn:4:222723:218608,O=C(c1cc(C2CC2)on1)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,VQXBXDREKOLIND-UHFFFAOYSA-N
-rxn:4:222891:214033,COc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc(C2CCNCC2)n1,PWHNGAWCVMIXDS-JWQCQUIFSA-N
-rxn:4:222900:197990,CC1CCCN(C2CCCc3cc(-c4csc(CNC(=O)OC(C)(C)C)c4)ccc32)C1,FJMCRNGDIHQETH-UHFFFAOYSA-N
-rxn:4:223062:185100,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(C2CCNCC2)cc1F,UOJFUWXSECAPQB-UHFFFAOYSA-N
-rxn:4:223590:204290,CCOC(=O)c1[nH]c2c(Cl)ccnc2c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,FLUGODXYKQKDHK-UHFFFAOYSA-N
-rxn:4:223811:178025,COc1cc(C2OCCO2)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1OC,FNPJFYGUJSOUGJ-UHFFFAOYSA-N
-rxn:4:223811:178431,COC(=O)Cc1cc2c(c(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)c1)OCC2,SBCHORMNLVHWPC-UHFFFAOYSA-N
-rxn:4:223940:187352,CC(C)[Si](c1ncc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)s1)(C(C)C)C(C)C,XBYZVNQIYMLTRN-UHFFFAOYSA-N
-rxn:5:176593:223007:225805,CCOC(=O)c1cc(-c2ccc(C(C)N3CCOCC3)s2)ccc1-c1cc(F)cc(C2CCNCC2)c1,PRQAKUJZDCBGGS-UHFFFAOYSA-N
-rxn:5:176593:223062:223054,CCOC(=O)c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,KFGCCIREZRUKTG-UHFFFAOYSA-N
-rxn:5:176852:223010:225881,COC(=O)c1cc(-c2ccc(C3(O)CCOCC3)cc2)c(OC)c(-c2ccc(C3CCOCC3)nc2F)c1,BMHUQPMJEFBZEH-UHFFFAOYSA-N
-rxn:5:177181:225601:222405,CC(C)OC(=O)c1ccc(-c2ccc(C3(C#N)CCC3)cc2F)c(-c2cccc(C3NC(=O)NC3=O)c2)c1,HKMMWTURGXQEQT-UHFFFAOYSA-N
-rxn:5:177182:223008:223056,CCOC(=O)c1cc(C)cc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1cc(C2CCNCC2)ccc1F,ZXDHSGOWUNCRTB-UHFFFAOYSA-N
-rxn:5:177185:223062:225976,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccnc(N2CCOCC2)c1F,UVANUGPVGLGXOM-UHFFFAOYSA-N
-rxn:5:177185:223064:226661,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1cc(N2CCN(C)CC2)cs1,AIEALNHJLKASGC-UHFFFAOYSA-N
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-rxn:5:180021:226186:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccccc1C1CCOCC1,YKCNBCGDIQBKHC-UHFFFAOYSA-N
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-rxn:5:182009:226174:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)nc2)c(C2CCOCC2)c1,ZBFCKSDGSSLOMM-UHFFFAOYSA-N
-rxn:5:182011:226686:225407,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1ccc(C2CCCCCC2)cc1,CWYIJKVGQKWRTK-UHFFFAOYSA-N
-rxn:5:183189:222959:222987,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3C)cc3c2OC(C)(C)OC3)ccc1C1CCNCC1,RJFWOVFMYXNKLO-UHFFFAOYSA-N
-rxn:5:183189:225684:222996,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2ccc(F)cc2C2CCCNC2)cc2c1OC(C)(C)OC2,CJIQZBDQBVZXGN-UHFFFAOYSA-N
-rxn:5:183189:226686:223061,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc2c1OC(C)(C)OC2,SQOYDHKUTJSDON-UHFFFAOYSA-N
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-rxn:5:188930:223105:227314,CNS(=O)(=O)c1cc(-c2cc(-c3ccc(CC(C)C)nc3F)c(C(=O)OC)cc2S(N)(=O)=O)c(F)cc1C,CDDDUTLGURDGHF-UHFFFAOYSA-N
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-rxn:5:188932:223135:226330,COC(=O)c1cc(-c2ccc(C(C)N3CCCC3)s2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,AJZXKGFMIRWZLT-UHFFFAOYSA-N
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-rxn:5:189211:223388:225822,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(S(=O)(=O)O)cc2)c1-c1cccc(C(F)(F)F)c1C1CC1,JQCSGSKOKIEZOM-UHFFFAOYSA-N
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-rxn:5:189826:226438:227199,CN1C(=O)Cc2ccc(-c3ccc(CC(=O)N4CCOCC4)c(-c4cnc(C5CCCC5)cc4F)c3)cc21,YJQNOZCPLUBWQI-UHFFFAOYSA-N
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-rxn:5:189827:225437:228312,COc1cnc(C#N)cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1cccc(CN2CCCCC2)c1,KJYWHGGREOAWKE-UHFFFAOYSA-N
-rxn:5:190000:228138:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CC(=O)N2CCCCC2)c(-c2ccc(CC#N)c(F)c2)c1,WNIGUWBSXRHCAR-UHFFFAOYSA-N
-rxn:5:190127:225394:223011,COC1CCN(C(=O)c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2-c2cc3[nH]ncc3cc2OC(C)C)CC1,MQHSOTSZPLEIDJ-UHFFFAOYSA-N
-rxn:5:190194:225507:227815,CCC(C)c1ccccc1-c1c(CN2CCC(OC)CC2)cccc1-c1ccc2c(c1)CCC2C(=O)OC,ZEFHPKVQQBAQKU-UHFFFAOYSA-N
-rxn:5:190194:225666:228155,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(F)cc(N3CCCCC3)c2)cc1OC,LLCIBOKWMMKPEL-UHFFFAOYSA-N
-rxn:5:190194:226190:227073,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCC3)cc2F)cc(C2CC2)c1,KQMDSZMPZWROOB-UHFFFAOYSA-N
-rxn:5:190194:227935:225587,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(CN3CCOCC3)c2)ccc1OC,ZINURZPWBJAYAC-UHFFFAOYSA-N
-rxn:5:190194:228148:225451,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCCC3)cc2)c1OC,GONKZNJKQWLNNS-UHFFFAOYSA-N
-rxn:5:190195:222417:225803,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccnc(OC2CCOCC2)c1,XHRWLXYEOPTLKC-UHFFFAOYSA-N
-rxn:5:190196:225655:222417,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)c(-c4cnc(=O)[nH]c4C(C)C)c3)c2)CC1,CWJKUNCQKCDTPI-UHFFFAOYSA-N
-rxn:5:190197:227684:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnn(CC2OCCO2)c1)C1CCOCC1,UZEPGKFCSZEVDP-UHFFFAOYSA-N
-rxn:5:190199:223061:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cc(C2CCNCC2)ncc1F)C1CCOCC1,ZXRSLFQMHRRKJM-UHFFFAOYSA-N
-rxn:5:190199:225803:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccnc(OC2CCOCC2)c1)C1CCOCC1,MJEGIGBWVGWRKE-UHFFFAOYSA-N
-rxn:5:190199:226583:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(CN2CCOCC2)s1)C1CCOCC1,SBDSZFBVLOSPBP-UHFFFAOYSA-N
-rxn:5:190199:227785:226766,Cc1ccc(OC(F)(F)F)c(-c2ccc(-c3ccc(F)nc3C(F)(F)F)c(CN(C)C3CCOCC3)c2)c1,UOGVJGWZPMCQJM-UHFFFAOYSA-N
-rxn:5:190231:223062:222417,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(=O)[nH]c1C(C)C,WHGMFEANTDVSEC-UHFFFAOYSA-N
-rxn:5:190308:226429:227860,CC1CCCN(CCc2cc(-c3ccc(N4CCCC(C)C4)s3)ccc2-c2ccc3c(c2)CCN3C)C1,GZFHITGIJGENFK-UHFFFAOYSA-N
-rxn:5:190309:225988:227075,COc1cc(-c2ccc(-c3c(F)cc(C4OCCO4)cc3F)cc2CCN2CCCCC2C)cc(C(C)C)c1,UOPBAWWVCKFVKD-UHFFFAOYSA-N
-rxn:5:190336:228839:222957,COc1c(-c2cc(C)cc(C3CCCNC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cc(F)cc(C)c1F,CICWUPGFYMRXCE-UHFFFAOYSA-N
-rxn:5:190337:228317:225600,COC(=O)c1ccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cccnc3OC3CCCCC3)c2OC)cn1,VSVFOCPQEBAUMB-UHFFFAOYSA-N
-rxn:5:190337:229099:225623,COc1c(-c2cccc(OC3CCOCC3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(C)ccnc1F,VJGQBWXMBBJUBA-UHFFFAOYSA-N
-rxn:5:190484:226330:223311,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(C5CNC5)c4)S(=O)(=O)CC3)c2)s1)N1CCCC1,GUHUCJLDJIHFKV-UHFFFAOYSA-N
-rxn:5:190484:227071:228416,COCc1cc(C)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(F)cc(F)cc4OC)S(=O)(=O)CC3)c2)c(C)c1,ODZWHSZWQZMVNG-UHFFFAOYSA-N
-rxn:5:190484:227657:228965,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,VINAGNXEPHCGDY-UHFFFAOYSA-N
-rxn:5:190680:227031:225832,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3ccc(C4CC4)cc3C#N)c(-c3c(C)nn(C4CCCCO4)c3C)c12,WMWYHWPRTIUJQC-UHFFFAOYSA-N
-rxn:5:190740:222958:225978,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C)c(C4CCNCC4)c3)cc2c1-c1ccc(N2CCOCC2)nc1F,UMGUDGMPULAZOF-UHFFFAOYSA-N
-rxn:5:190740:225881:223061,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cc(C2CCNCC2)ncc1F,ZDMPOFUFFLRPSO-UHFFFAOYSA-N
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-rxn:5:190741:226583:223056,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,FRCSGDJDTPQZIA-UHFFFAOYSA-N
-rxn:5:190742:223056:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,UHEUNKUINAMMTO-UHFFFAOYSA-N
-rxn:5:190742:223062:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cc(N2CCCCC2)ncc1F,CYHYKBNHTQDFGT-UHFFFAOYSA-N
-rxn:5:190742:225438:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)cc3)c2c1-c1cnc(C2CCNCC2)cc1F,JOQOXFAURZJYQL-UHFFFAOYSA-N
-rxn:5:190742:225833:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccnc(N2CCOCC2)c1F,AALBZSYHWZGAIR-UHFFFAOYSA-N
-rxn:5:190742:225980:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1cc(N2CCOCC2)ncc1F,WXSDXAHDIVXSEB-UHFFFAOYSA-N
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-rxn:5:190743:223061:225655,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,NARNGPXJASDYQI-UHFFFAOYSA-N
-rxn:5:190743:223065:225982,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,CCNDXULBTYSDHY-UHFFFAOYSA-N
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-rxn:5:190744:223061:225976,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,AOOVZNRXYDNTII-UHFFFAOYSA-N
-rxn:5:190744:225976:226662,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccc(N2CCN(C)CC2)s1,AIATWGNDUNIYHF-UHFFFAOYSA-N
-rxn:5:190744:226583:222985,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)c(C)ccc2c1-c1ccc(C2CCCNC2)nc1C,PPQZAZTXLNLSRD-UHFFFAOYSA-N
-rxn:5:190832:225849:226366,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCCC4)cc3F)c(C)c2c1-c1ccnc(N2CCCCC2)c1,PKSNHIKJNMVIOZ-UHFFFAOYSA-N
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-rxn:5:190833:226045:227834,Cc1cc(-c2ccc(-c3ccc(C(F)(F)C(F)(F)F)nc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)ccc1C1CC1,BGYQXSUAWBNRBA-UHFFFAOYSA-N
-rxn:5:190859:223063:222987,Cc1nc(C2CCNCC2)ccc1-c1c(-c2cc(F)nc(C3CCNCC3)c2)ccc2c1CCN2C(=O)OC(C)(C)C,ULLWESGOKPVWEG-UHFFFAOYSA-N
-rxn:5:191026:228567:226926,CCC(C)c1sccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)C)cc3C)c1)C=C(C(=O)OC)S2(=O)=O,VTWZPTWEPAYQBT-UHFFFAOYSA-N
-rxn:5:193053:226159:225985,O=C(c1cc(-c2cccc(N3CCCCC3)c2)cc(-c2cccc(N3CCCS3(=O)=O)c2)c1)N1CCCC1,SPWIOPXATHPPBQ-UHFFFAOYSA-N
-rxn:5:193053:226414:225986,O=C(c1cc(-c2ccc(C3=NCCCO3)cc2)cc(-c2ccccc2N2CCCS2(=O)=O)c1)N1CCCC1,ISMDPJIQIVMFFJ-UHFFFAOYSA-N
-rxn:5:193229:227376:223064,O=C(c1cccc(-c2cncc(N3CCCC3)c2)c1-c1ccc(C2CCNCC2)nc1F)N1CCOCC1,GDPBIQBHFFDKBH-UHFFFAOYSA-N
-rxn:5:193229:227491:223006,O=C(c1cccc(-c2cnc(OC3CCC3)nc2)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,WMDVDLOPGUUMFC-UHFFFAOYSA-N
-rxn:5:193329:226778:225449,COc1cc(-c2ccnc(OC3CCCCC3)c2-c2cccc(OC3CCCCC3)c2)c(F)c(F)c1OC,VBQGGFSUPNIEDD-UHFFFAOYSA-N
-rxn:5:193329:227610:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccn(C3CCCCO3)n2)ccnc1OC1CCCCC1,BLZAWVGRQQSGAG-UHFFFAOYSA-N
-rxn:5:193382:222958:226662,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCN(C)CC4)s3)c2)cc1C1CCNCC1,ZRAXBFPVYXJUPP-UHFFFAOYSA-N
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-rxn:5:196917:223004:226129,CC1(C)COC(c2cc(-c3cccc(CN4CCCC4)c3)ccc2-c2ccc(C3CCNCC3)c(F)c2)=N1,MXGVMQAQUMWJJS-UHFFFAOYSA-N
-rxn:5:196918:222980:227610,O=C1CCCCN1c1cccc(-c2ccc(CN3CCNCC3)cc2)c1-c1ccn(C2CCCCO2)n1,CQFHSYXUVFUFPO-UHFFFAOYSA-N
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-rxn:5:228763:178295:226579,CCc1c(F)cncc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,WSMYZNBPEZPMSK-UHFFFAOYSA-N
-rxn:5:228777:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2ccc(OC)cc2F)CCC(=O)CC1,QTXIOEPYQHVFFM-UHFFFAOYSA-N
-rxn:5:228925:193869:225986,CSc1cnc(F)c(-c2cc(C)c(-c3ccccc3N3CCCS3(=O)=O)cc2S(=O)(=O)N2CCCCC2)c1,CNBCAJUCHRBVOG-UHFFFAOYSA-N
-rxn:5:228930:193869:225985,CSc1c(-c2cc(C)c(-c3cccc(N4CCCS4(=O)=O)c3)cc2S(=O)(=O)N2CCCCC2)ccnc1F,YRIOXHQDKOUHNE-UHFFFAOYSA-N
-rxn:5:228930:193870:225985,CSc1c(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccnc1F,IBYWWOLNGKEAFM-UHFFFAOYSA-N
-rxn:4:173281:226860,FC(F)(F)Oc1ccc(-c2cc(Cl)ccc2OC(F)(F)F)c(OCC(F)(F)C(F)(F)F)c1,FLHTXFULFOSQQR-UHFFFAOYSA-N
-rxn:4:173338:222812,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cc1,BYIBSHIHDPAELP-UHFFFAOYSA-N
-rxn:4:173433:222759,CCOC(=O)C(C(C)=O)c1ccc(OC)cc1-c1cc(C)cc(NC(=O)OC(C)(C)C)c1,QUOBRRPWVVBDSP-UHFFFAOYSA-N
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-rxn:4:173571:224566,COC(=O)C1(c2ccc(-c3ccc(OC)cc3CCO[Si](C)(C)C(C)(C)C)cc2)CCCC1,QUAJQEOUAYRUQO-UHFFFAOYSA-N
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-rxn:4:173704:222844,COc1cccc2c(-c3cccc(NC(=O)C4CCCC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,JGPFEAOYYLEFMN-UHFFFAOYSA-N
-rxn:4:173809:222732,O=C(NC1CCCCC1)c1ccc(-c2cc(C(F)(F)F)ccc2OC(C(F)(F)F)C(F)(F)F)cc1,FQTGIGOTACGMAU-UHFFFAOYSA-N
-rxn:4:173812:223608,C#CCCCCc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c1,JDCIQLNYJVFDNJ-UHFFFAOYSA-N
-rxn:4:173909:223884,COC(=O)COc1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1C(C)=O,YDELFEXHCKJSNJ-UHFFFAOYSA-N
-rxn:4:174444:224734,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2ccc(C(F)(F)F)cc2OCC2CC2)c1,JLBRRENHVJXMEW-UHFFFAOYSA-N
-rxn:4:174490:224126,CCN1CCN(C(C)c2cccc(-c3cccc(C(=O)CCCC4OCC(C)(C)CO4)c3)c2)CC1,CFRNDTFMDJACBS-UHFFFAOYSA-N
-rxn:4:174522:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)c2)CC1,OHCUJPVNJHPFMZ-UHFFFAOYSA-N
-rxn:4:174531:224404,CCOC(=O)c1cc2cc(OC(F)(F)F)cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c2o1,HCCQBIGSDZRKNF-UHFFFAOYSA-N
-rxn:4:174615:223712,COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C=C1Oc2cc(OC(=O)C3CC3)ccc2C1=O,ISBZSMLVFKDDPR-UHFFFAOYSA-N
-rxn:4:174649:223735,COc1ccc(-c2ccccc2OCc2ccc(C(C)(C)C)cc2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,UEIIVNGQOYPEFG-UHFFFAOYSA-N
-rxn:4:174655:225573,CCCCCOc1cc2c(cc1-c1cc(C(=O)OC)cc(C3CC3)c1)C(C)(C)CCC2(C)C,NXQWBFXCBRJARG-UHFFFAOYSA-N
-rxn:4:174656:222876,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(C(=O)NC(C)(C)C)c(F)c3)c12)(C(C)C)C(C)C,GDSUNKVKFKBZCP-UHFFFAOYSA-N
-rxn:4:174663:223169,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc(C3CCNCC3)nc2)cc1,QVGLBKWKFVSLEC-AMNGXLNPSA-N
-rxn:4:174686:224800,CC(C)Oc1cc(-c2ccc(OC(F)(F)F)cc2C(=O)C(F)(F)F)ccc1OC(F)(F)F,BSRWSKQHOSUSIE-UHFFFAOYSA-N
-rxn:4:174931:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)CCC(F)(F)F)cc2)CC1,NWNVKJZFYSLTDK-UHFFFAOYSA-N
-rxn:4:175160:223598,O=C(CSC1COC1)c1cccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1,HCYDITILRHIORG-UHFFFAOYSA-N
-rxn:4:175309:223505,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC(C)C,DQDYXFUZZUAJSD-UHFFFAOYSA-N
-rxn:4:175772:224664,CN1CCN(Cc2cc(F)cc(-c3cccc([Si](C)(C)C)c3OS(=O)(=O)C(F)(F)F)c2)CC1,XGDKHILRWPIUNP-UHFFFAOYSA-N
-rxn:4:175959:223497,Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c1C,KZWGWCUNQCDKIY-UHFFFAOYSA-N
-rxn:4:176018:224022,COc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(F)cc1OCC1CCCCC1,BNLIKDMQQOMYJC-UHFFFAOYSA-N
-rxn:4:176104:222539,CC(=O)c1cccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1OCC1CCCCC1,KBQYXTAGCWVQRL-UHFFFAOYSA-N
-rxn:4:176147:222723,O=S(=O)(Oc1ccc(C2SCCCS2)cc1)c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1,XYYBFCMUIZUOAZ-UHFFFAOYSA-N
-rxn:4:176207:224064,COC(=O)CC[C@H]1CCc2cc(-c3cc(C4CC4)cc(N4CCCCC4C)c3)ccc2O1,UHUCFAHPMSKTCP-COTLDPOVSA-N
-rxn:4:176306:222774,O=C1C(=Cc2ccc(-c3ccc(F)c(CN4CCC(O)CC4)c3)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21,ZKTQDYFYCDQVPV-UHFFFAOYSA-N
-rxn:4:176308:224601,O=C1C(=Cc2ccccc2-c2ccc3c(cnn3C3CCCCO3)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21,DYDPHAWXWOZDCR-UHFFFAOYSA-N
-rxn:4:176945:223999,Cc1ccc(OC(F)(F)C(F)(F)F)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)c1,JMLAMDYTRJKHAK-UHFFFAOYSA-N
-rxn:4:177687:223993,Cc1cc(-c2ccc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)c(Cl)c2)ccc1S(=O)(=O)N1CCN(C)CC1,CWEBFTUJENNJSN-UHFFFAOYSA-N
-rxn:4:177720:223559,CC(=O)c1ccc(OC(C)C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,CZTSSRDDFOIEJD-UHFFFAOYSA-N
-rxn:4:177977:223568,COC(=O)C1(C)OC1(C)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1,BLVKOWFARDLWFO-UHFFFAOYSA-N
-rxn:4:178269:224061,CCCC1CCC(c2ccc(-c3ccc(OC4CCCCC4)c(C(F)(F)F)c3)c(F)c2)CC1,LWPVBBNVQFJCCB-UHFFFAOYSA-N
-rxn:4:178293:223772,COC(=O)C1(c2ccccc2-c2cc3ccc(OC)cc3n2C(=O)OC(C)(C)C)CCC(=O)CC1,RTWZZBAJVCCWSP-UHFFFAOYSA-N
-rxn:4:178381:222908,CC(C)(C)OC(=O)Nc1cncc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,AQZKQTOWYCWTHZ-UHFFFAOYSA-N
-rxn:4:178384:225312,CN1CCCN(c2ncc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cn2)CC1,LEIPADCXZATXFV-UHFFFAOYSA-N
-rxn:4:178384:225848,Cc1cn(-c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(Cl)c2)cn1,GHORLVQPPXBFAU-UHFFFAOYSA-N
-rxn:4:178384:226223,CCOCCOc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,HWISSQWQRJWSBV-UHFFFAOYSA-N
-rxn:4:178384:226437,Fc1cnc(C2CCCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YUUSUDUTJHZSMO-UHFFFAOYSA-N
-rxn:4:178384:226446,Cc1nc(C2CCOC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SIEMTYYDVMFAOI-UHFFFAOYSA-N
-rxn:4:178384:227117,Cc1cc(C2CC2)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,TXFZQUGGZQACRD-UHFFFAOYSA-N
-rxn:4:178384:227358,CCOc1cc(C)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,FXDZBINMLZOGDL-UHFFFAOYSA-N
-rxn:4:178384:227561,COc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC,UZCQFGSQVOYECB-UHFFFAOYSA-N
-rxn:4:178384:228638,Cc1cc(C)c(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,YIGMCUFUBKRKAR-UHFFFAOYSA-N
-rxn:4:178384:228903,COc1ncc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UVOIGKGHVBSYPS-UHFFFAOYSA-N
-rxn:4:178433:223712,CCOC(=O)C1COc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc21,KETVPOZRQSGFRN-UHFFFAOYSA-N
-rxn:4:178594:226516,CCc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc(C(=O)OC)n1,SHCNDCIBXILULM-UHFFFAOYSA-N
-rxn:4:178597:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,KYLIJPIMOGMEAZ-UHFFFAOYSA-N
-rxn:4:178597:229309,Cc1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)o1,LREFBDOZDLDRKM-UHFFFAOYSA-N
-rxn:4:178942:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc(C(F)F)cc(C(F)(F)F)c3)cc2)CC1,ZMSRFMMQZFBLAR-UHFFFAOYSA-N
-rxn:4:179928:224065,CC1CCN(c2cc(-c3cc(C4OCCO4)c(F)cc3C(F)(F)F)cc(C3CC3)c2)CC1,NSIQLOYMSNBUCD-UHFFFAOYSA-N
-rxn:4:180495:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCOCC4)ccc3C3CC3)cc2)CC1,CDDGWHLLTPNXJL-UHFFFAOYSA-N
-rxn:4:180815:225220,COc1ccc(-c2cnc(N3CCCCC3C)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,LHDLGSNZSUTDFV-UHFFFAOYSA-N
-rxn:4:181620:223526,Cc1cc([B-](F)(F)F)c(C)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,WCAUGHQTNKAFBX-UHFFFAOYSA-N
-rxn:4:181834:223699,O=C1CC(=O)CC(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)o2)C1,OVBYLPYGTLUSSH-UHFFFAOYSA-N
-rxn:4:182372:222803,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc1C2=O,FTRDHPVBALPNLT-QTTSBWOESA-N
-rxn:4:182372:224399,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cc1C2=O,FDLRFSDZBBAJJZ-WBANQOEISA-N
-rxn:4:182376:223888,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cc3C2=O)C[C@@H]1C,HMSSMCZQENSJJU-QMEWRSTKSA-N
-rxn:4:182376:224986,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCCC5)cc4C#N)cc3C2=O)C[C@@H]1C,INZLITGNICDAAM-BFVWLKTBSA-N
-rxn:4:182376:225182,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccnc(OC5CCCCC5)c4Cl)cc3C2=O)C[C@@H]1C,RYEQNFKCFFZBKD-VCHYDZHZSA-N
-rxn:4:183102:223597,O=C1CCCOc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)ccc21,LOTIHDIFSQIKFJ-UHFFFAOYSA-N
-rxn:4:183265:224420,Cc1cc2c(cc1-c1ccc3c(c1)C(=O)C1(CCC(F)(F)CC1)C3)C(C)(C)CCC2(C)C,QGATYYUOJJQHMK-UHFFFAOYSA-N
-rxn:4:183272:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,LZVYMEDBHACKJU-UHFFFAOYSA-N
-rxn:4:183274:225446,Cc1cc(OC2CCCC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,OAFGUFKGOTUVIR-UHFFFAOYSA-N
-rxn:4:183274:226355,COc1cc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1C1CC1,GNEWSGHWDWKHCV-UHFFFAOYSA-N
-rxn:4:183274:228900,COc1cnc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NRWXNEPDQYZOCI-UHFFFAOYSA-N
-rxn:4:183274:229176,Fc1cnc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,YGAMVQUFMMGQMJ-UHFFFAOYSA-N
-rxn:4:183379:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc2c(c3c1OC(C)(C)C=C3)OC(C)(C)OC2=O,XCLMJXSOLOIMKN-UHFFFAOYSA-N
-rxn:4:183472:222645,CCOC(=O)COc1cccc([N+](=O)[O-])c1-c1cccc(OCCN2CCC(O)CC2)c1,DXCCGDGZLDJWPU-UHFFFAOYSA-N
-rxn:4:183513:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(F)F)c(C#N)c3CC(=O)OCC)cc2)CC1,KUNQFMRZYQIPCD-UHFFFAOYSA-N
-rxn:4:183528:224997,CCOC(=O)Cc1ccc(C#N)c(-c2ccc(C(=O)N3CCCCC3)cc2)c1C(F)(F)F,RYVCIJMICRBKBD-UHFFFAOYSA-N
-rxn:4:183662:222711,CCN(CC)Cc1ccc(OC(F)(F)F)c(-c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)c1,RGHCKSQEXSHEHG-UHFFFAOYSA-N
-rxn:4:183668:224893,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cc(C(C)(C)C)nc(C(C)(C)C)c2)cc1,YQTYWQPQTMJHED-UHFFFAOYSA-N
-rxn:4:183715:224061,CCCC1CCC(c2ccc(-c3ccc(OCC(=O)N(CC)CC)c(C)c3)c(F)c2)CC1,KMSDOODBXZIWDW-UHFFFAOYSA-N
-rxn:4:183791:224835,CCN(Cc1cc(F)cc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C,PVJWINFZDJXLPL-UHFFFAOYSA-N
-rxn:4:183876:222389,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)C1,OSTFUNQZMBHDFP-UHFFFAOYSA-N
-rxn:4:183883:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc(OCCC3CCN(CC(F)(F)F)CC3)cc2)cc1,OLHONLGFRAKPEC-UHFFFAOYSA-N
-rxn:4:183937:223179,CONC(=O)c1cc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)ccc1F,MANPVFMWSKLUOH-UHFFFAOYSA-N
-rxn:4:183954:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4nc(-c5ccco5)oc4SCc4ccc(F)cc4)cc3)cc2)CC1,SJFSYDCZDNCGDT-UHFFFAOYSA-N
-rxn:4:183965:226153,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cc(C3CC3)c(OC)cc2C)c1,BEXSYSMDNKBAAI-UHFFFAOYSA-N
-rxn:4:183984:223035,Cc1cc(-c2cccnc2NC(=O)C(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C(C)C,KCFXBHOFPXIOOX-UHFFFAOYSA-N
-rxn:4:183991:223093,Cc1ccc(C(=O)COC(=O)C2CC(=O)N(c3ccc(-c4cncc(NS(=O)(=O)C(C)C)c4)cc3)C2)cc1,PMBGNTAFKRGRBE-UHFFFAOYSA-N
-rxn:4:184004:226024,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cccc(OCC(F)(F)F)c4F)cc3)SC2=S)cc1OC,FPBDJMKSNDXSLV-UHFFFAOYSA-N
-rxn:4:184125:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(C(F)(F)F)c2)c1,DICLHTYDYGXBDO-UHFFFAOYSA-N
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-rxn:4:190163:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1,ZEAGQYGECPBOAR-UHFFFAOYSA-N
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-rxn:4:190985:222630,COC1CC2CCC(C1)N2C(=O)c1cccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1,TWCJAGYPSTXFCA-UHFFFAOYSA-N
-rxn:4:191006:224391,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1,NINJSXHJQFKOAC-UHFFFAOYSA-N
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-rxn:4:191058:224917,COC(=O)C1CCN(C2CCc3cc(-c4ccc(N5CCC(C)CC5)cc4C)ccc32)CC1,MYEOVLGLLYEUTK-UHFFFAOYSA-N
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-rxn:4:191058:225532,CCN(CC)Cc1ccc(-c2ccc3c(c2)CCC3N2CCC(C(=O)OC)CC2)c(F)c1,GVBSLPSMLMKRJE-UHFFFAOYSA-N
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-rxn:4:191087:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,DNGPQOMOZADESV-UHFFFAOYSA-N
-rxn:4:191088:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c1,PTRQUOGAWNVMRP-UHFFFAOYSA-N
-rxn:4:191090:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc4c3C(C)(C)CN(C(=O)OC(C)(C)C)C4)c3ccccc23)CC1,IWVFLBVPNFTNSC-UHFFFAOYSA-N
-rxn:4:191092:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C(C)(C)C4)cc2F)cc1,IKDCYSCCHODLKZ-UHFFFAOYSA-N
-rxn:4:191097:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,ZAHJJUQLFJMVPE-UHFFFAOYSA-N
-rxn:4:191103:223287,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,AUWGDQGONDENTO-UHFFFAOYSA-N
-rxn:4:191103:226154,COc1cc(C(C)(C)C)ccc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,LYOSXGKANYUQDK-UHFFFAOYSA-N
-rxn:4:191109:224247,COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2F)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,HQNHIIYEFJBBSE-UHFFFAOYSA-N
-rxn:4:191117:228146,CCc1cncc(-c2cccc3c2C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)c1OC,MEODLTYSKHUNMG-UHFFFAOYSA-N
-rxn:4:191129:228319,COc1nccc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1OC,BYRNUXIWTNJVPS-UHFFFAOYSA-N
-rxn:4:191171:225827,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4ccnc(N5CCN(C)CC5)c4)cc1c32,RGIYALPZFZXMBV-UHFFFAOYSA-N
-rxn:4:191172:223166,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccc(N6CCNCC6)nc5)cc4)cc1c32,AFEWAPJZGOWOGI-UHFFFAOYSA-N
-rxn:4:191184:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(Cl)cc3)N(CC3CCCO3)C5=O)cnc21,YCVHQZZTOCNYJG-UHFFFAOYSA-N
-rxn:4:191194:222896,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(-c4ccc(CNC(=O)OC(C)(C)C)s4)ccc(c23)C1=O,NFEWTGOYORRKDT-UHFFFAOYSA-N
-rxn:4:192868:223539,COc1ccc(-c2ccoc2CN2CCOCC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,FLDMQTFNSNFWDR-UHFFFAOYSA-N
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-rxn:4:193246:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3N3CCCC3)cc2F)CC1,FUKZYTPTBIARPD-UHFFFAOYSA-N
-rxn:4:193286:222684,Cc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc(S(=O)(=O)N2CC(F)(F)C2)c1,RUTOJLDNCGWFDJ-UHFFFAOYSA-N
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-rxn:4:193354:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C=NC2CCS(=O)(=O)C2)cc1,GMBZPSUTXVTRLL-UHFFFAOYSA-N
-rxn:4:193354:223697,O=S1(=O)CCC(N=Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2)C1,DRCVGEWSGHJYCL-UHFFFAOYSA-N
-rxn:4:193392:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc23)CC1,NYHGLFMHHBCMQX-UHFFFAOYSA-N
-rxn:4:193392:223974,CC1CCN(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c(C(F)(F)F)c2)CC1,QGFKQUAODIBQDN-UHFFFAOYSA-N
-rxn:4:193447:222389,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1N1CCOCC1,BEAPCSGPBBVPGJ-UHFFFAOYSA-N
-rxn:4:193503:224155,Cc1c(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,XUWARQJCHLRWPO-UHFFFAOYSA-N
-rxn:4:193506:223658,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cc2Cl)CC1,KXGUWZRQIFLXQK-UHFFFAOYSA-N
-rxn:4:193559:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C,ZTALWNNYOHADOA-UHFFFAOYSA-N
-rxn:4:193562:223542,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,OLDVLRROGUISJC-UHFFFAOYSA-N
-rxn:4:193562:223974,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCC(C)CC2)cc1C(F)(F)F,ULIIVDRZURTVAB-UHFFFAOYSA-N
-rxn:4:193577:222612,O=S1(=O)CCN(Cc2cccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)c2)CC1,YZHNTDUZYPERCV-UHFFFAOYSA-N
-rxn:4:193627:224703,O=S1(=O)CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCC3)cc(C(F)(F)F)c2)CC1,JYPRMEYSLOCGJY-UHFFFAOYSA-N
-rxn:4:193697:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C4C=CN(S(C)(=O)=O)CC4)cc3)cn2)C1,LUSMSKUQFSMFMS-UHFFFAOYSA-N
-rxn:4:193698:223559,CC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(-n2c(C)ccc2C)c1F,VDAUBLDOKGZHMS-UHFFFAOYSA-N
-rxn:4:193717:223712,C#Cc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1N1CCC(C)CC1,CNUNEATXXDYKMD-UHFFFAOYSA-N
-rxn:4:193757:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cc2)CC1,AFPRWJCXTZCTCY-UHFFFAOYSA-N
-rxn:4:193763:224064,CC1CCCN(C(=O)c2cccc(-c3cc(C4CC4)cc(N4CCCCC4C)c3)c2F)C1,UEPVUNPQMUCZHV-UHFFFAOYSA-N
-rxn:4:193768:223508,Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c(C(=O)N2CCCCC2)c1F,HLLUOMOOHWLAQI-UHFFFAOYSA-N
-rxn:4:193768:224305,Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2F)c(C(=O)N2CCCCC2)c1F,CLRLAEVSFLSVEP-UHFFFAOYSA-N
-rxn:4:193871:223712,COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2Cl)cc1C12CC3CC(CC(C3)C1)C2,VRZGGBRWGRKGTF-UHFFFAOYSA-N
-rxn:4:193919:223508,Cc1c(C(=O)N2CCCC2)cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c(C)c1C,SMLYVYIEXWVBDP-UHFFFAOYSA-N
-rxn:4:193955:222777,Cc1cc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,AIOMPZNFVAGWSR-UHFFFAOYSA-N
-rxn:4:193970:222891,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc(C2CCNCC2)n1,UVMYJSQDEPWSFJ-UHFFFAOYSA-N
-rxn:4:193988:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)cc1,WORKRWIOSJJMSI-UHFFFAOYSA-N
-rxn:4:193988:224649,CC1(C)OCC2(CO1)CN(C(=O)c1cccc(-c3cc(F)ccc3OCC3CCCCO3)c1)C2,XEDILNIZOWWBAH-UHFFFAOYSA-N
-rxn:4:193989:226009,COc1cc(OC(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCOC23CCCCC3)cc1,YAEHIRMIXWQGFM-UHFFFAOYSA-N
-rxn:4:193995:223530,Cc1cc(C)c(S(=O)(=O)N2CCCCC2C)cc1-c1cc(F)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,XPWXVSUPIOHVSI-UHFFFAOYSA-N
-rxn:4:193998:223578,Cc1cc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)c(S(=O)(=O)N2CCCCCC2)cc1C,XJBDCXVKLLOHMT-UHFFFAOYSA-N
-rxn:4:194002:224462,Cc1cc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,MLNMCZBRORYBHJ-UHFFFAOYSA-N
-rxn:4:194539:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)CN(S(=O)(=O)C(C)C)C4)cc21,DMDIQFUWQDJJCB-UHFFFAOYSA-N
-rxn:4:194563:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3nc4c(s3)C(=O)CC(c3cccc(OC)c3)C4)cc2)C1,JFJCVYZMGIKWQB-UHFFFAOYSA-N
-rxn:4:194572:224881,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cccc(CN2CCCCCC2)c1,MDZUBJQUUNOEMY-UHFFFAOYSA-N
-rxn:4:194623:222682,CCCN1Cc2cc(-c3cccc(OC)c3NC(=O)OC(C)(C)C)ccc2OC(C)C1=O,VUBPXXWDTSVUJJ-UHFFFAOYSA-N
-rxn:4:194649:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C=C(C(=O)N1CCOCC1)C=CO2,DINFKMXZIIHYML-UHFFFAOYSA-N
-rxn:4:194662:223699,O=C1COc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2CN1Cc1ccccc1F,OTMOVYFVBSGNBX-UHFFFAOYSA-N
-rxn:4:194669:222545,C[C@@H]1c2ccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cc2CN1C(=O)C(C)(C)C,OKAVWFYXRMPHHE-GOSISDBHSA-N
-rxn:4:194670:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc4c(c3)N(CC3CCOCC3)CC4)cc2)C1,SMALHARQYWMMAP-UHFFFAOYSA-N
-rxn:4:194709:223699,O=C1COc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2N1CC1CCCCC1,VFTVXHTYCAYLKY-UHFFFAOYSA-N
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-rxn:4:202359:222700,N#CCCCN1C(=O)C(=O)c2cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)ccc21,FTUNSDNFPXEQJL-UHFFFAOYSA-N
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-rxn:4:202567:222538,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,KTSSITMRPOULNV-UHFFFAOYSA-N
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-rxn:4:203712:224976,N#Cc1c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cccc1N1CCCCC1,VRTXGUKHJMTBHL-UHFFFAOYSA-N
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-rxn:4:212568:222684,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,LJPLYSAFDGPTSH-UHFFFAOYSA-N
-rxn:4:212577:224250,Cc1cccc(OCC(=O)N2CC(Cn3cc(-c4cc(C(=O)N5CCCCC5C)ccc4F)cn3)C2)c1,YRXHBKHWWKLMPI-UHFFFAOYSA-N
-rxn:4:212578:222684,CCSc1ccccc1C(=O)N1CC(Cn2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,VZSWNSUSEBPQTA-UHFFFAOYSA-N
-rxn:4:212581:225801,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccnc(OC4CCCC4)c3Cl)cc2)cc1,WSVXGUMVYIRIHS-UHFFFAOYSA-N
-rxn:4:212592:225984,CN(C)C(=O)C1(CCCc2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CCN1C,CWKNHABWORZZDJ-UHFFFAOYSA-N
-rxn:4:212606:225175,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(F)c(CN4CCOCC4)c3)cn2)C1,ZFAHCKGXACVALX-UHFFFAOYSA-N
-rxn:4:212608:224489,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cc(F)ccc3CN(C(C)C)C(C)C)cn2)C1,MEOUCLDACUBUIV-UHFFFAOYSA-N
-rxn:4:212615:223812,O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1,VCWMIYVAXPSJSL-UHFFFAOYSA-N
-rxn:4:212630:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c1F,IUVDXIDACBZGEZ-UHFFFAOYSA-N
-rxn:4:212630:224834,CN(C)S(=O)(=O)n1cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c(C(F)(F)F)n1,IYDULDHJRUBPGM-UHFFFAOYSA-N
-rxn:4:212649:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)c1,DQKYZRYBAKFLCO-UHFFFAOYSA-N
-rxn:4:212691:222913,CN(C(=O)c1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,QTDRZMDZXPLPJF-UHFFFAOYSA-N
-rxn:4:212711:226001,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(C#N)c4)o3)CC2)nn1,QPUDALQSHPSDIX-UHFFFAOYSA-N
-rxn:4:212719:224672,CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cc2)SC1=S,BQWHLKWYDWVSKG-UHFFFAOYSA-N
-rxn:4:212720:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N(C)C4CCCN(C(=O)OC(C)(C)C)CC4)cn3)c(F)ncc21,QNAXVVCCPVVTAK-UHFFFAOYSA-N
-rxn:4:212722:223482,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)C(=O)N2CCN(C)CC2)cc1,HXFHDXXLWXFMHD-UHFFFAOYSA-N
-rxn:4:212723:223777,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc6c(c5F)CCN(C(=O)OC(C)(C)C)C6)cc4)CC3)n2)cc1,WDGZYPLFSAJLOG-UHFFFAOYSA-N
-rxn:4:212732:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cn3)cc2)CC1,GWBNMBSILCFKKJ-UHFFFAOYSA-N
-rxn:4:212743:228851,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccn5ncnc5c4)cc3)CC2)CC1,LMZGJFLUEKAIBP-UHFFFAOYSA-N
-rxn:4:212772:223598,CN(C)CCN(C(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1)c1nc2ccc(Cl)cc2s1,JUZDRGYKEFKGJJ-UHFFFAOYSA-N
-rxn:4:212776:224373,COc1ccc(-c2ccc(C(=O)N(CCN(C)C)c3nc4c(F)cc(F)cc4s3)cc2)cc1S(=O)(=O)N1CCCC1,QMVUUVXGDAFASL-UHFFFAOYSA-N
-rxn:4:212818:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4cnc(SCC(=O)N5CCc6ccccc65)n4-c4cccc(Cl)c4)cc3)cc2Cl)CC1,ZDORBRUULLPWSA-UHFFFAOYSA-N
-rxn:4:213011:224772,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cn2)C1,AIOGTWMZLCWUTH-UHFFFAOYSA-N
-rxn:4:213043:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCCN(C(=O)OC(C)(C)C)C2)nc1,OZQZQSYMDOPRDB-UHFFFAOYSA-N
-rxn:4:213045:223045,CC(C)NC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)c1,XKHKTPIZEKYNDT-UHFFFAOYSA-N
-rxn:4:213053:225898,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,ODMUHDBEMCDKBY-UHFFFAOYSA-N
-rxn:4:213053:226612,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cnc(N4CCCCC4)nc3)cn2)C1,URAYRGOECNQKEM-UHFFFAOYSA-N
-rxn:4:213075:226332,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCC3)n2)CC1,BUBLGCGNDZFYKY-UHFFFAOYSA-N
-rxn:4:213097:223167,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(N4CCNCC4)c3)cn2)CC1,QAKKKXDCJYYDQS-UHFFFAOYSA-N
-rxn:4:213123:226844,O=C(Cc1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,UBZLPEUQWFQZNW-UHFFFAOYSA-N
-rxn:4:213127:225833,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCCCC4)c3F)ccn2)CC1,CXABZUZDGISGIR-UHFFFAOYSA-N
-rxn:4:213131:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,KLPHOWGXWLUUMT-UHFFFAOYSA-N
-rxn:4:213171:222634,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,JCHBISGMMBROBB-UHFFFAOYSA-N
-rxn:4:213177:223574,Cc1cccc(OCC2CCCN(C(=O)c3cncc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)C2)n1,LTXIDTXBNKNGGN-UHFFFAOYSA-N
-rxn:4:213188:225044,C[Si](C)(C)c1cc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc([Si](C)(C)C)c1,WXEMNQANIZJCTI-UHFFFAOYSA-N
-rxn:4:213215:228466,COC(=O)c1sc(Cl)cc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,UFGINJFYHCSYKO-UHFFFAOYSA-N
-rxn:4:213217:224658,CCN1CCN(c2ncc(-c3ccc(N4CCN(C(C)=O)CC4)cc3)cc2C(=O)OC(C)(C)C)CC1,PQDWWTMOBGLTDB-UHFFFAOYSA-N
-rxn:4:213222:223018,CC1(C)Oc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)cc2NC1=O,MIYSBKFIKAERLB-UHFFFAOYSA-N
-rxn:4:213223:222872,COc1ccc(-c2ccc(C(=O)NC3CC3)cc2OC)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,SWUPXZAHKIKDMT-UHFFFAOYSA-N
-rxn:4:213253:223111,CC(C)c1n[nH]c2cccc(-c3cnccc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c12,SCUJZGYRFQSSBJ-UHFFFAOYSA-N
-rxn:4:213262:225267,CCCOc1ccc(-c2ccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)cc2)c(C(F)(F)F)c1,RYUDXMYXDYQSSF-UHFFFAOYSA-N
-rxn:4:213267:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(N4CCN(C(C)C)CC4)nc3C(=O)OC(C)(C)C)cc2)c1,HRNARQKNVLHQJU-UHFFFAOYSA-N
-rxn:4:213268:222639,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,AZTZUHSNYUYVEZ-IZVMNLJQSA-N
-rxn:4:213281:223112,CC(C)c1ccc2[nH]ncc2c1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,ZMMLICTYOUUMGZ-UHFFFAOYSA-N
-rxn:4:213337:222871,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(C(=O)NCC(C)C)c(Cl)c4)cc3s2)CC1,NWLZECIPYIMBCF-UHFFFAOYSA-N
-rxn:4:213353:224590,CC1CCN(Cc2ccc(-c3cnccc3OC3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c(F)c2)CC1,BFHZNOCUTMBLPK-UHFFFAOYSA-N
-rxn:4:213377:226831,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4cn(CCC)nc4C(F)(F)F)cc3)nc3ccccn3c2=O)SC1=S,CKILNPMGXFYMAN-UHFFFAOYSA-N
-rxn:4:213474:224476,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)ncn5C4CCCCC4)ccc2-3)[nH]1,MGYCOUPGHYAIRQ-DHUJRADRSA-N
-rxn:4:213474:224669,CN1CCN(Cc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)c(F)c2)CC1,BDZZPUSPQWIEDF-UMSFTDKQSA-N
-rxn:4:213480:223037,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)NC5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZKUKTBWUSQNFPF-VAALAVNJSA-N
-rxn:4:213480:224756,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)ccc4C(=O)N4CCOCC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,BSJSRGBKUHTZAX-SIGULORKSA-N
-rxn:4:213494:223533,COC(=O)C(C#N)c1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cn1,GCYJNNSECUQUCU-UHFFFAOYSA-N
-rxn:4:213645:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CC(Cn3cc(Cl)cn3)C2)c(F)c1,RHZRFPJDLRWMFJ-UHFFFAOYSA-N
-rxn:4:213653:226120,CCCOc1cc(C)c(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c(C)c1,ZZCLIFPXXNCSQT-UHFFFAOYSA-N
-rxn:4:213657:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnn([C@H]4CON(C(=O)OC(C)(C)C)C4)c3)c(F)ncc21,HSMZIXNBKKBTEN-OAQYLSRUSA-N
-rxn:4:213660:224405,CCOC(=O)N1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cn2)CC1,SWAKMNLJEJRIBW-UHFFFAOYSA-N
-rxn:4:213664:222546,CCC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,ZECVFTYZUADREL-UHFFFAOYSA-N
-rxn:4:213784:224265,Cc1cc(F)ccc1S(=O)(=O)N1CC(Cn2cc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)cn2)C1,JRIBUJIPCHYZBC-UHFFFAOYSA-N
-rxn:4:213794:222853,OC1CCN(Cc2ccc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)cc2)CC1,ITSNWQFFTHWLJM-UHFFFAOYSA-N
-rxn:4:213805:223608,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cn2)C1,ZQVJVOIJDWTGBA-UHFFFAOYSA-N
-rxn:4:213817:222546,Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)s1,MDKDEYZNURYGDH-UHFFFAOYSA-N
-rxn:4:213837:226428,CC1CCCCN1c1csc(-c2ccn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c1,HRRYZAIXTAYCLS-UHFFFAOYSA-N
-rxn:4:213851:223574,Cc1cnn(CC2CN(C(=O)c3cc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3C)C2)c1,WIWXLUPLKSSAQH-UHFFFAOYSA-N
-rxn:4:213871:224997,O=C(c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc1)N1CCCCC1,JEJTZWOUGNRGMV-UHFFFAOYSA-N
-rxn:4:213872:222929,OC1CCN(c2cc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cnc2Cl)CC1,BZDUTGISCZCOIQ-UHFFFAOYSA-N
-rxn:4:213874:225982,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)cc3F)ccn2)CC1,IHMGLQTVWBKOIE-UHFFFAOYSA-N
-rxn:4:213880:224128,CN(C(=O)c1ccc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CCCCC1,YVMUFKZDPBQFEQ-UHFFFAOYSA-N
-rxn:4:213887:222684,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)nc2)CC1,PCIJJRPEGQFNNQ-UHFFFAOYSA-N
-rxn:4:213901:222915,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(C(=O)NC3=NCCS3)cc2)CC1,BGJDBJMTGFBUMH-UHFFFAOYSA-N
-rxn:4:213902:222915,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C(=O)NC4=NCCS4)cc3)cc2F)CC1,ARHRTAMGFPOTIM-UHFFFAOYSA-N
-rxn:4:213910:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,XOZIPMFIQUMSBY-UHFFFAOYSA-N
-rxn:4:213910:223176,CS(=O)(=O)NCc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ZCHJIUGUUMSYNP-UHFFFAOYSA-N
-rxn:4:213918:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1,MGSZPARXHXAJEI-UHFFFAOYSA-N
-rxn:4:213972:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OFTLPCZPEBNFIH-UHFFFAOYSA-N
-rxn:4:213996:224156,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cc2ccccc2n1C(=O)OC(C)(C)C,AGBDKAPDIWXXPH-UHFFFAOYSA-N
-rxn:4:214011:225999,COC(=O)c1ccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)c([N+](=O)[O-])c1,DPGBKBGBBMSZKU-UHFFFAOYSA-N
-rxn:4:214028:227880,N#CCCc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,VPYPFIZWJSKRBC-UHFFFAOYSA-N
-rxn:4:214067:223845,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)no3)CC2)cc1,MICIUGLPIODLSH-UHFFFAOYSA-N
-rxn:4:214078:226997,CCCOc1cc(C)cc(-c2ccc(CN3CCN(CC)CC3)c(N3CCCCC3)c2)c1,VRNQYHRWYHZYLB-UHFFFAOYSA-N
-rxn:4:214153:224915,Cc1cc(N2CCCCC2C)ccc1-c1cnn2c1OC[C@H](N(C)C(=O)OC(C)(C)C)C2,MBYQJVBSXFAELS-ROPPNANJSA-N
-rxn:4:214183:224060,COc1c(C(C)(C)C)cc(-c2ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c2)cc1C(C)(C)C,DPNRPZPPOXHZGV-UHFFFAOYSA-N
-rxn:4:214231:225978,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4ccc(N5CCOCC5)nc4F)cccc3n2)C1,YYSCIMBBIOLAKU-UHFFFAOYSA-N
-rxn:4:214323:223344,O=C1Cc2c(cccc2-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)N1,UFOJJTXXSJDYPU-UHFFFAOYSA-N
-rxn:4:214390:225977,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)cnc4N4CCOCC4)ccc2OC32CCN(C(C)=O)CC2)cc1,VSAYROUBKNJHGX-UHFFFAOYSA-N
-rxn:4:214535:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(-c4ccc([N+](=O)[O-])cc4F)nc3C(F)F)cc2)CC1,QGSVOSMPNNGRSQ-UHFFFAOYSA-N
-rxn:4:214631:222582,CS(=O)(=O)N1CCC(Cc2cnc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,UXACVQYBNYHUIO-UHFFFAOYSA-N
-rxn:4:214660:225518,CCCCCOc1ncc(C)cc1-c1cnn(C)c1C(=O)N1CCC(C(F)(F)F)CC1,FKZQVUIHDVCSLS-UHFFFAOYSA-N
-rxn:4:214661:225756,COC(=O)c1cc(-c2c(C(=O)N3CCCC(C(F)(F)F)C3)cnn2C)c(C(C)C)cn1,QICCMUMLCITEGL-UHFFFAOYSA-N
-rxn:4:214663:224718,Cn1ncc(-c2ccc(OCCN3CCOCC3)nc2)c1C(=O)N1CCCC(C(F)(F)F)C1,UZLAMJIUMACXST-UHFFFAOYSA-N
-rxn:4:214671:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnn(C4CCN(C(=O)C5CC5)CC4)c3)ccc2F)CC1,WUBSYNWELYKKOO-UHFFFAOYSA-N
-rxn:4:214705:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,RXUDPBLMQNHCIH-UHFFFAOYSA-N
-rxn:4:214711:224769,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cn2)CC1,VVMQHIGLUZVQIT-UHFFFAOYSA-N
-rxn:4:214734:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1,VQNFWMVHNBUQMV-UHFFFAOYSA-N
-rxn:4:214742:223972,CC1CCCCN1c1ccc(-c2cc(N3CCC(N(C)C)CC3)ccc2C#N)c(C(F)(F)F)c1,ZHLVKVZPRUMTSO-UHFFFAOYSA-N
-rxn:4:214743:224198,CCN1CCN(Cc2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)c(F)c2)CC1,IOIAHQIKQGBHRY-UHFFFAOYSA-N
-rxn:4:214747:224194,CCN1CCN(Cc2ccc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)cc2Cl)CC1,BIUIISIZGGXVPS-UHFFFAOYSA-N
-rxn:4:214764:222628,CC(C)CN1CCN(c2cncc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c2)CC1,PFLYKPNACSZYSQ-UHFFFAOYSA-N
-rxn:4:214775:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OC4CCN(C5CCSC5)CC4)nc3)cn2)CC1,GGEHLAJZMRVNAF-UHFFFAOYSA-N
-rxn:4:214778:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1cnc(N2CCN(C(C)C)CC2)cc1C(F)(F)F,RRYDOPQKJINBQB-UHFFFAOYSA-N
-rxn:4:214781:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1,PWODFTQULZFUOC-UHFFFAOYSA-N
-rxn:4:214802:223712,COc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)cc1C12CC3CC(CC(C3)C1)C2,FWUVCTVIHKZVMW-UHFFFAOYSA-N
-rxn:4:214803:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc2F)CC1,DKOCWQUZIJMHMD-UHFFFAOYSA-N
-rxn:4:214804:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCOC(C(=O)N4CCCC4)C3)c3ccccc23)CC1,QILRFHVLYGEBLW-UHFFFAOYSA-N
-rxn:4:214810:222465,Cc1nc(CN2CCN(c3cccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)c3)CC2)co1,ANGOXTSIRIKYBK-UHFFFAOYSA-N
-rxn:4:214830:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(F)c2)CC1,SETZQDCPBMDVRJ-RSSXGHEXSA-N
-rxn:4:214835:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,SIHILCAOPCAZPU-UHFFFAOYSA-N
-rxn:4:214836:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,NEWMIKMKNYJDGY-UHFFFAOYSA-N
-rxn:4:214836:225093,CCCOc1c(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1OCC,GLDMZUHKGFLECH-UHFFFAOYSA-N
-rxn:4:214836:227480,CCCOc1nccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1Cl,LFCZUPNPHDCQJC-UHFFFAOYSA-N
-rxn:4:214837:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,VKAGRVPVFVYNIP-UHFFFAOYSA-N
-rxn:4:214837:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,CBUDNMQFAFPNSF-UHFFFAOYSA-N
-rxn:4:214859:223974,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC(c5ccn(C)n5)C4)cc3)c(C(F)(F)F)c2)CC1,CGQURKONXOZXFR-UHFFFAOYSA-N
-rxn:4:214863:222466,Cc1cc(N2CCN(Cc3ccccc3)CC2)ncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,PCTRMOULEGEZLR-UHFFFAOYSA-N
-rxn:4:214870:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,XQBOIZVEJGLDBI-UHFFFAOYSA-N
-rxn:4:214870:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,OUMRFYNZWLKPSR-UHFFFAOYSA-N
-rxn:4:214871:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,TZTVZYVFBOOLEU-UHFFFAOYSA-N
-rxn:4:214874:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,OOYABGLYKNHWGI-UHFFFAOYSA-N
-rxn:4:214880:223077,Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,LZCOJDICTIEZGC-UHFFFAOYSA-N
-rxn:4:214883:225743,COC(=O)Cc1ccc(OC)c(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1,GVLHZWRSJLHZHW-UHFFFAOYSA-N
-rxn:4:215099:222746,C[C@@H]1Cn2ncc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c2CN1C(=O)OC(C)(C)C,ZIDSYSWNGWDIRL-MRXNPFEDSA-N
-rxn:4:215107:223712,COc1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)cc1C12CC3CC(CC(C3)C1)C2,SLIUIWZUSBUJLI-UHFFFAOYSA-N
-rxn:4:215140:224060,COc1c(C(C)(C)C)cc(-c2ccc3ccn(CC(=O)N4CCN(C)CC4)c3c2)cc1C(C)(C)C,KDVOUSNSJZBMKW-UHFFFAOYSA-N
-rxn:4:215148:223035,CC(C)(C)OC(=O)N1Cc2cnc(-c3cccnc3NC(=O)C(C)(C)C)n2CC1(C)C,QQROSLJIVLPOAH-UHFFFAOYSA-N
-rxn:4:215197:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,NKTZOVKXGLHOGT-UHFFFAOYSA-N
-rxn:4:215198:226713,COCCOc1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)c(F)cn1,SURCMUAHHIFHNX-UHFFFAOYSA-N
-rxn:4:215219:226236,CCCCOc1ncc(C)cc1-c1ccc2ccc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1,SQLLKBHSZSTJBS-UHFFFAOYSA-N
-rxn:4:215233:225655,CC1CCN(c2cncc(-c3ccc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)cc3)c2)CC1,KVDLNFRUYCFWOL-UHFFFAOYSA-N
-rxn:4:215234:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4oc(C(=O)N5CCC(c6nc7ccccc7[nH]6)CC5)c(C)c4c3)cc2)CC1,YAMPPFRFWNRKPS-UHFFFAOYSA-N
-rxn:4:215276:222545,COc1cccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)ccc2OC3c2ccncc2)c1,SYMBBTBLQJMBSG-UHFFFAOYSA-N
-rxn:4:215391:223606,NS(=O)(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1[N+](=O)[O-],DKYHDHCYNDYCCL-UHFFFAOYSA-N
-rxn:4:215707:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(C#N)c(N4CCOCC4)c3)cn2)CC1,SGNZCMNZSWRALN-UHFFFAOYSA-N
-rxn:4:215772:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cn2)CC1,DTHLXNOZCJBAMH-UHFFFAOYSA-N
-rxn:4:215904:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,AJIKCCSXQKNXHP-UHFFFAOYSA-N
-rxn:4:215907:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)nc3)c2)CC1,DNUBRRQWIJWFIE-UHFFFAOYSA-N
-rxn:4:215909:224247,CC1CCN(C(=O)c2ccc(-c3cc([N+](=O)[O-])c(N4CCN(C)CC4)cc3F)c(F)c2)CC1,RXBYGWHQDLASJY-UHFFFAOYSA-N
-rxn:4:215912:223835,Cc1cc(F)c(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,RONQMCMRFKFKFD-UHFFFAOYSA-N
-rxn:4:215937:223508,Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,VIOGJIYOMUEVJR-UHFFFAOYSA-N
-rxn:4:215950:223998,CCN1CCN(c2ncc(C)cc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,XRNJWEPBHBMACV-UHFFFAOYSA-N
-rxn:4:215956:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,WRBWUYJDMICQRS-YHBQERECSA-N
-rxn:4:215970:224656,COc1ccc(-c2cnc(SC)nc2N2CCC3(CC2)OCCO3)c(F)c1OC1CCCC1,BQIVXSMVJMBGFI-UHFFFAOYSA-N
-rxn:4:215974:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(N3CCC(N4CCOCC4)C3)nc2)c1,CNJXCHXLFVWAFV-UHFFFAOYSA-N
-rxn:4:216155:223588,Cc1cc(-c2ccc(C(=O)N3CCc4ncncc4C3)o2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,MEVDKQMQCTVONN-UHFFFAOYSA-N
-rxn:4:216179:223699,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1Cl)N1CCc2[nH]ncc2C1,CFOMXEHCQGDZTL-UHFFFAOYSA-N
-rxn:4:216213:223602,CC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[nH]1,BEVGBDUQTMVFRC-QFIPXVFZSA-N
-rxn:4:216270:223698,Cn1c(C2CC(=O)N(c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)C2)nc2ccccc21,CZAUUPHVOQNKHC-UHFFFAOYSA-N
-rxn:4:216293:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2c2cncnc2C3)cc1S(=O)(=O)NC1CCCCC1,LSKUWTWDISNMLS-UHFFFAOYSA-N
-rxn:4:216319:225213,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)cc4Cl)ccc3S2(=O)=O)n1,FLFJNGHZYMSLKC-UHFFFAOYSA-N
-rxn:4:216319:225365,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4c(F)c(F)c(OC(C)C)c(F)c4F)ccc3S2(=O)=O)n1,UAPRHQQYLZBQLD-UHFFFAOYSA-N
-rxn:4:217084:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC=CCC4)nc3)cc2[N+](=O)[O-])CC1,UEVKGUUVHYSLMJ-UHFFFAOYSA-N
-rxn:4:217905:224325,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)ccc2OC32CCN(C)CC2)o1,WLJBNOUKKDCWIA-UHFFFAOYSA-N
-rxn:4:218587:225997,CCOc1ncc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc1C(F)(F)F,PEARHSRGEAHYNL-UHFFFAOYSA-N
-rxn:4:218664:225875,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4Cl)cn3)C2)cc1,QQLBUFOFYMGZSS-UHFFFAOYSA-N
-rxn:4:218664:225977,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)cc1,BQEDKAZOILQBQC-UHFFFAOYSA-N
-rxn:4:218666:222721,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)c3)C2)nn1,WJLVJVOPBOOBPM-UHFFFAOYSA-N
-rxn:4:218666:225233,CC1CCCN(c2cc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cnc2Cl)C1,QLKFAPBINGRBBE-UHFFFAOYSA-N
-rxn:4:218676:224390,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,VQOPNHYKXCUSAO-UHFFFAOYSA-N
-rxn:4:218676:225274,COCCOc1c(F)cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C)c(C)c1F,MZFAPDYCLCPLCJ-UHFFFAOYSA-N
-rxn:4:218681:224286,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)CC2)CC1,CRDNBJQIIGEHKS-UHFFFAOYSA-N
-rxn:4:218696:224958,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cccc(OCC2CCCCO2)c1,JFLNYRRXABQRPG-UHFFFAOYSA-N
-rxn:4:218700:227251,CCCOc1ccc(F)cc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(F)cc3)C2)cc1,GNFHQVJCGJOSJM-UHFFFAOYSA-N
-rxn:4:218706:223749,COc1ccc(Cn2cnc3cc(-c4c(C)nn(CCC(=O)N5CCN(S(=O)(=O)c6ccc(C)c(C)c6)CC5)c4C)ccc32)cc1,JXRGATUJUPELNV-UHFFFAOYSA-N
-rxn:4:218745:224496,CCN1CCN(Cc2cccc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)c2)CC1,YYEHRGCNGHVUCW-UHFFFAOYSA-N
-rxn:4:218817:223670,COCc1cn(C2CCN(C(=O)c3ccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)nn1,PYUIIJWATDWRTI-UHFFFAOYSA-N
-rxn:4:218818:223835,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(C(=O)N2CC(Cn3ccnn3)C2)c1,FJBIPVFSXTUZLU-UHFFFAOYSA-N
-rxn:4:218824:222742,CN(CC1CN(c2ncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cn2)C1)S(=O)(=O)C1CC1,LRGBTDPOLPQMFE-UHFFFAOYSA-N
-rxn:4:218867:225639,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3N3CCC(C)CC3)c2)no1,CQNXUTOPJBYKCB-UHFFFAOYSA-N
-rxn:4:218877:223816,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)cc2c(Cl)ccnc21,GHSSMJAHKNFLTF-UHFFFAOYSA-N
-rxn:4:218888:224325,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,UMYWTSPJSVCKAE-UHFFFAOYSA-N
-rxn:4:218909:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(OCC4CCCN(Cc5ccccn5)C4)nc3)c(F)cn2)CC1,LZYUZOBQLKRMAX-UHFFFAOYSA-N
-rxn:4:218919:224681,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(C(=O)N4CCCCC4)c(F)c3)C2)cn1,ABOJWAPXMZZWBB-UHFFFAOYSA-N
-rxn:4:218970:224759,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,DRSUJKSLHAWBOZ-UHFFFAOYSA-N
-rxn:4:218971:225172,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)s1,FCVARZKZXJTOKG-UHFFFAOYSA-N
-rxn:4:219011:225623,CN(c1cnc(-c2cccc(OC3CCOCC3)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,GCLKDYYECWHURW-UHFFFAOYSA-N
-rxn:4:219053:223006,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(F)c(C5CCNCC5)c4)c3)cn2)CC1,MVBOAAWEHRYOEC-UHFFFAOYSA-N
-rxn:4:219053:225883,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(C5CCOCC5)c(Cl)c4)c3)cn2)CC1,ORYIYXUCECOZGM-UHFFFAOYSA-N
-rxn:4:219058:224089,CC1CCN(CCOc2ccc(-c3ccccc3CC(=O)N3CCN(c4cc(-c5ccc(F)cc5)n[nH]4)CC3)cc2)CC1,RPTRQXNACYNPAW-UHFFFAOYSA-N
-rxn:4:219062:225232,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cnc(Cl)c(N3CCC(C)CC3)c2)C1,FBDUUMGWBZJJLV-UHFFFAOYSA-N
-rxn:4:219145:222718,COc1cc2ncnc(N3CCC(Oc4ccncc4-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)C3)c2cc1OC,BAFWMEHVLPGTIA-UHFFFAOYSA-N
-rxn:4:219162:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cnc(OC4CCN(C(=O)Cc5cn(C)c6ccccc56)CC4)nc3)c2)C1,MXEQQRPHRCBPLR-UHFFFAOYSA-N
-rxn:4:219242:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnnn3C3CN(C(=O)OC(C)(C)C)C3)c(F)ccc21,XZKFXUWJRBHAIY-UHFFFAOYSA-N
-rxn:4:219353:222730,CCCc1cc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc(C2CCNCC2)n1,ICPRSEJUURANQF-UHFFFAOYSA-N
-rxn:4:219354:224969,Cc1cc(-c2cnc(N3CCC(N(C)S(=O)(=O)C4CC4)C3)nc2)ccc1C(=O)OC(C)(C)C,JEOFDMLTTIHIKZ-UHFFFAOYSA-N
-rxn:4:219364:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,FISAIFNZPBGUCG-UHFFFAOYSA-N
-rxn:4:219384:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c(F)c2)CC1,AMBLTTPARLGCJA-ALOJWSFFSA-N
-rxn:4:219433:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)o2)c1,YVDAXDDTMOAEJH-UHFFFAOYSA-N
-rxn:4:219452:226844,Cc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CLHNSSTYMQADBN-UHFFFAOYSA-N
-rxn:4:219471:225737,CCCCOc1c(F)ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1F,CMMKCCXCTKSBRF-UHFFFAOYSA-N
-rxn:4:219477:225212,CN1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)CC1,SUBSZUFVCJCYMN-UHFFFAOYSA-N
-rxn:4:219478:224772,Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)ccc2Cl)CC1,JXGGVOVEODUYKD-UHFFFAOYSA-N
-rxn:4:219479:225867,O=C(c1cc(-c2cnc(Cl)c(N3CCCCC3)c2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MLPVKVQVCDVSLH-UHFFFAOYSA-N
-rxn:4:219501:226095,CCCCOc1cc(C)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,XMMQTLMGQKBWBW-UHFFFAOYSA-N
-rxn:4:219534:224627,CN(C)C1CN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)C1,VCSPCPZNTDHBGR-UHFFFAOYSA-N
-rxn:4:219535:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1,UGDRFAVKNHSELY-UHFFFAOYSA-N
-rxn:4:219537:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1S(=O)(=O)NC1CCCC1,MZYLBHVABFCAID-UHFFFAOYSA-N
-rxn:4:219537:225004,O=C1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)CC1,QAEDVEHNFSXOIQ-UHFFFAOYSA-N
-rxn:4:219552:224318,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,XZFMOAVLGUHREC-UHFFFAOYSA-N
-rxn:4:219559:223488,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3cc4cc(Oc5ccccc5)ccc4n3C(=O)OC(C)(C)C)o2)CC1,YGCZQAKGTRZDMX-UHFFFAOYSA-N
-rxn:4:219638:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C4CCCN4C(=O)OC(C)(C)C)nnn3c2)cc1,AGIVBWPENPLJBS-UHFFFAOYSA-N
-rxn:4:219653:224718,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)nc3s2)CC1,JOVRYIONHLUKIF-UHFFFAOYSA-N
-rxn:4:219655:222773,O=C(NC1CCOCC1)c1ccc(-c2ccc(CC(=O)N3C4CCC3CC(n3cncn3)C4)cc2)cc1,UPYRRAWWKXWAOH-UHFFFAOYSA-N
-rxn:4:219664:224018,O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3s2)CC1,WUFRWPBGKVIHGG-UHFFFAOYSA-N
-rxn:4:219690:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc2c(cc1F)nnn2C1CCN(C(=O)OC(C)(C)C)CC1,CYJSVZBKSXXREK-UHFFFAOYSA-N
-rxn:4:219759:223951,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cc2)OC3)CC1,LPBYNEHPSYLRTK-UHFFFAOYSA-N
-rxn:4:219867:225324,CCN1CCN(c2ncc(-c3cn(CCC(C)C)nc3C(F)(F)F)cc2[N+](=O)[O-])CC1,RCERJMDTKGUDJY-UHFFFAOYSA-N
-rxn:4:219868:223671,CCN1CCN(c2c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cncc2[N+](=O)[O-])CC1,FPLWFQFXIFQZHC-UHFFFAOYSA-N
-rxn:4:219934:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)cc1OCC,YDJGDUCMSRCXKH-UHFFFAOYSA-N
-rxn:4:219937:223670,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)n3)C2)c1,SOEAKXVDPGMUJQ-UHFFFAOYSA-N
-rxn:4:219955:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCSCC1,ALKGYMPOMJJXED-UHFFFAOYSA-N
-rxn:4:219975:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c(F)c2)CC1,YIVOCVWMFZWMHL-UHFFFAOYSA-N
-rxn:4:219997:223697,O=c1c(N2CCN(c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cc3)CC2)nccn1C1CC1,FNTOHAJJMLKTAE-UHFFFAOYSA-N
-rxn:4:220060:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)cc1,WWMSGYPUJBKXPO-UHFFFAOYSA-N
-rxn:4:220131:224818,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cnc1N1CC(N2CC3CCCC3C2)C1,WVNSKRHUEVCQPW-UHFFFAOYSA-N
-rxn:4:220136:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,LHTQAWKGRJFNSW-UHFFFAOYSA-N
-rxn:4:220158:224773,Cc1cc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)ccc1S(=O)(=O)N1CCCC1,MJFAGDFAKJSTMW-UHFFFAOYSA-N
-rxn:4:220209:225354,CCOc1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc(C(F)(F)F)c1F,VKKJIDCLODAYIS-UHFFFAOYSA-N
-rxn:4:220404:223992,Cc1ccc(-c2c(C(=O)N3CCN(C)CC3)cnn2C)cc1S(=O)(=O)N1CCN(C)CC1,JTSRDVGDRVOZBI-UHFFFAOYSA-N
-rxn:4:220405:224825,CON(C)C(=O)c1cc(-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)cc([N+](=O)[O-])c1,OEPNTURUPMCWBH-UHFFFAOYSA-N
-rxn:4:220413:223754,CC1CCN(CCCOc2ccc(-c3cnc(N4CCC(N(C)C)CC4)nc3)cc2Cl)CC1,GWKPTNWAPFELFQ-UHFFFAOYSA-N
-rxn:4:220431:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3cccc(C)c3C)CC2)nc1,GHBCBNAXCCCTFY-UHFFFAOYSA-N
-rxn:4:220533:224974,CN1CCN(Cc2ccccc2-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)CC1,LBLLOZPWDGEEGS-UHFFFAOYSA-N
-rxn:4:220547:222929,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(Cl)c(N6CCC(O)CC6)c5)c(C)c4)C3C2=O)c1,HCLGJMIVZCTRPB-UHFFFAOYSA-N
-rxn:4:220935:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2Cl)CC1,WMNVPWHQKAJCFN-UHFFFAOYSA-N
-rxn:4:221098:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nc5C(F)F)CC4)nc3)cc2)C1,OQSRKMAMFQJTTQ-UHFFFAOYSA-N
-rxn:4:221114:229129,CCOc1ccc(-c2cnc(C)cc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,OXMYGBPCEJMBEV-UHFFFAOYSA-N
-rxn:4:221121:222395,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)NC6CCC(O)CC6)c5)ccc43)CC2)CC1,HRCAOHWQDKKSQD-UHFFFAOYSA-N
-rxn:4:221121:222457,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)ccc43)CC2)CC1,YCKZPWYSOHIWIM-UHFFFAOYSA-N
-rxn:4:221126:222612,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)cc4)nnn3c3ccsc23)C1,OOGMLWMJWRHVOX-UHFFFAOYSA-N
-rxn:4:221149:222722,N#Cc1ccc(N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cn3)C2)nc1,ACWHISLTQFYUPZ-UHFFFAOYSA-N
-rxn:4:221169:222826,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C2)cn1,HLFWRYVALPHOHK-UHFFFAOYSA-N
-rxn:4:221171:222632,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)c1F,IJRPEDDPRBTEDW-UHFFFAOYSA-N
-rxn:4:221171:223650,CCc1ncnc(N2CCCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1F,FSGNPFXOMFVHOG-UHFFFAOYSA-N
-rxn:4:221175:228746,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C#N)c4Cl)cn3)C2)C(=O)C1=O,PSRUTCCSKGFLSC-UHFFFAOYSA-N
-rxn:4:221180:223812,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1C,JCHXJFQKUVFJNL-UHFFFAOYSA-N
-rxn:4:221181:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c(F)c2)CC1,NCVPYSGIMSUEFD-PECFQXNXSA-N
-rxn:4:221194:222742,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)CC2)cn1C,QDSNJLSFAWOAMG-UHFFFAOYSA-N
-rxn:4:221194:223294,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4csc(N5CCNCC5)n4)cn3)CC2)cn1C,YECHAXAPEIPULV-UHFFFAOYSA-N
-rxn:4:221226:223698,O=S(=O)(c1cc(-c2cnc(OCC3CCCN(Cc4cn5ccccc5n4)C3)nc2)ccc1OC(F)(F)F)N1CCCC1,YLUSHCZOSGRVIQ-UHFFFAOYSA-N
-rxn:4:221232:225975,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C1)CCOC2,BPAFACHPJZWUBB-UHFFFAOYSA-N
-rxn:4:221233:224705,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(N6CCC(C)CC6)c(F)c5F)c4)CC3)ccc2n1,GKXPWZABWQYXFR-UHFFFAOYSA-N
-rxn:4:221244:224022,O=C(Cc1ccccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1,OBRVKXRBTLCFHH-UHFFFAOYSA-N
-rxn:4:221347:224008,O=C(c1cc(-c2cnc(OCC3CCN(c4ncc(F)cn4)CC3)nc2)cc([N+](=O)[O-])c1)N1CCOCC1,MEEGFTORBQZXPE-UHFFFAOYSA-N
-rxn:4:221392:224592,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)n1,MGBVOIBMSHLJJI-UHFFFAOYSA-N
-rxn:4:221414:226691,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cnc(Cl)c(N5CCCC5)c4)c3)CC2)cn1C,GNMIYTGRVAYVLR-UHFFFAOYSA-N
-rxn:4:221434:226592,CC(C)Oc1cc(F)c(F)cc1-c1ccccc1C(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,PYKLIJRKOHYPEM-UHFFFAOYSA-N
-rxn:4:221439:223173,O=C(c1cc(-c2ccc3c(c2)C(O)CS3(=O)=O)ccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,WCLIWGBBKVFNAD-UHFFFAOYSA-N
-rxn:4:221443:222720,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc(N5CCNCC5)cc4C(F)(F)F)c3)CC2)n1,MMYSNOAJLUSCEB-UHFFFAOYSA-N
-rxn:4:221456:227259,COc1ccc(CSC)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,SSSKKKPUZRULEZ-UHFFFAOYSA-N
-rxn:4:221491:224061,CCCC1CCC(c2ccc(-c3cnc(N4CC5CCCC5(COc5ncc(F)cn5)C4)nc3)c(F)c2)CC1,ZGMSXDHRVKPFRY-UHFFFAOYSA-N
-rxn:4:221494:224811,CN(C(=O)c1cncc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1)C1CN(c2cc3c(nn2)CCC3)C1,LRAVAUCKAWTVFL-UHFFFAOYSA-N
-rxn:4:221497:223896,COc1cccc(-c2cnc(OC3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)c1C(=O)N(C(C)C)C(C)C,JWJHPPLCDISNHJ-UHFFFAOYSA-N
-rxn:4:221498:222915,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(C(=O)NC5=NCCS5)cc4)c23)CC1,FYBSLDFPLPYXPV-UHFFFAOYSA-N
-rxn:4:221641:222723,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ZLQFLXGORFMSFK-UHFFFAOYSA-N
-rxn:4:221666:223699,O=C1c2ccccc2S(=O)(=O)N1Cc1nnnn1-c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1,VIRBEUGTLQRGBX-UHFFFAOYSA-N
-rxn:4:221727:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)c1,YWJYDKLOVFXIOH-UHFFFAOYSA-N
-rxn:4:221730:223699,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cn2)CC1,BTLINZXSVUUGHT-UHFFFAOYSA-N
-rxn:4:221730:224252,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cn2)CC1,QVCQTGLFTWEYMZ-UHFFFAOYSA-N
-rxn:4:221832:224394,Cc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,WZJQSYYQDPOFFI-UHFFFAOYSA-N
-rxn:4:221832:224678,O=C(c1cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1F)N1CCCCC1,KEMDRULJNDPOEF-UHFFFAOYSA-N
-rxn:4:221836:222904,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cn1,VGTTXBZUFCJJMX-UHFFFAOYSA-N
-rxn:4:221836:225160,O=C(c1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1Cl)N1CCCC1,JVNDFWDSSOHZQS-UHFFFAOYSA-N
-rxn:4:221836:225161,O=C(c1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1F)N1CCCC1,JLDJPXVTZXQHFK-UHFFFAOYSA-N
-rxn:4:221836:225162,O=C(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1Cl)N1CCCC1,WDAJKPKWDQYLJB-UHFFFAOYSA-N
-rxn:4:221876:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4N=NN=N4)ccn3)cc2[N+](=O)[O-])CC1,XPIINABKEGXLAC-UHFFFAOYSA-N
-rxn:4:222009:225221,CC1CCCN(c2cc(-c3cnc(N4CCN(c5cc(C(F)F)nc(C6CC6)n5)CC4)nc3)c(F)cn2)C1,PNBQLKHPDYRJLO-UHFFFAOYSA-N
-rxn:4:222046:224759,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,UBMOOUNEGINJIE-UHFFFAOYSA-N
-rxn:4:222062:226294,COc1cc(OC(C)C)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,XYEJNTCDIGJZRT-UHFFFAOYSA-N
-rxn:4:222062:228380,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C#N)c(Cl)c4F)cc3)CC2)n1,NMUXXWPCKAVJKS-UHFFFAOYSA-N
-rxn:4:222108:222634,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCNC7CCCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,KXDFQXYHBHSDDT-UHFFFAOYSA-N
-rxn:4:222108:222808,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)NC(C)C)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1F,KFRPPLSUTCLVPF-UHFFFAOYSA-N
-rxn:4:222108:222989,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCNCC7)cc6C)cc5)no4)C3C2=O)cc1F,LUBNYIGKVLFUKP-UHFFFAOYSA-N
-rxn:4:222127:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(-c3cc(N4CCCN(C(=O)c5nn(C)c6ccccc56)CC4)[nH]n3)cc2)ccc1F,RXBNIQXYSHCMQC-UHFFFAOYSA-N
-rxn:4:222137:222922,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1,NFIGGPHOZUOCGJ-UHFFFAOYSA-N
-rxn:4:222169:222582,Cc1nc(N2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)CC2)cc(C(C)(C)C)n1,NNNGNEHCLJZFSP-UHFFFAOYSA-N
-rxn:4:222297:223894,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cccc(OCCCN6CCN(C)CC6)c5)o4)CC3)ncnc21,HFOJYHWMSOUOTO-UHFFFAOYSA-N
-rxn:4:222323:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(N4CCN(c5ccc(N(C)C)nn5)CC4)nc3)c(F)ncc21,VOGJORQVCZZDSW-UHFFFAOYSA-N
-rxn:4:222333:224960,COc1ccc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cc1OC1CCCC1,YLVFOVQDXZBJLB-UHFFFAOYSA-N
-rxn:4:222334:225056,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(N5CCCC(C)C5)cc4F)cn3)CC2)n1,WAOYGMNIMRDWNE-UHFFFAOYSA-N
-rxn:4:222367:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c2)CC1,KEJYZNLLBSJRQR-UHFFFAOYSA-N
-rxn:4:222389:184513,CCCCOC(=O)c1ccnc(Cl)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XENZETLCMOSVRB-UHFFFAOYSA-N
-rxn:4:222389:204720,CCN1CCN(Cc2cc3c(c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c2)OCC3)CC1,ZUTZGXCJVWJXKY-UHFFFAOYSA-N
-rxn:4:222389:206782,CC(C)c1nc(N2CCOCC2)sc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,UAEXCGQLVWLLCZ-UHFFFAOYSA-N
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-rxn:5:180202:222409:223056,COc1ccc(-c2ccc(OC3CCOCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)cc1S(N)(=O)=O,TUWNCANHUNSJQM-UHFFFAOYSA-N
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-rxn:5:180662:223147:223010,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccc(C4CNCCO4)cc3)c2OC1,MXKBJKPRNILLII-UHFFFAOYSA-N
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-rxn:5:180662:227588:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3c(OC)cc(F)cc3OC)c2OC1,BUMHFIOTFIGZQA-UHFFFAOYSA-N
-rxn:5:181624:225832:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C1OCCO1,HFUDJPFUKYCUCL-UHFFFAOYSA-N
-rxn:5:181904:225684:222988,Cc1cc(-c2c(-c3ccc(C4CCOCC4)nc3C)ccc(C3OCCO3)c2C)cc(C2CCNCC2)n1,UUTPSZINVBKEPD-UHFFFAOYSA-N
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-rxn:5:181907:225636:222985,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,WXGGPQDETVYVGT-UHFFFAOYSA-N
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-rxn:5:181908:225636:225683,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,PRCUQCODRDPCKP-UHFFFAOYSA-N
-rxn:5:181908:226174:225832,Cc1cc(-c2ccc(C3CCCCC3)nc2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,ZGZAONDMXNHXSC-UHFFFAOYSA-N
-rxn:5:182009:222996:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)c(C2CCOCC2)c1,ZJALPMUSYWDILO-UHFFFAOYSA-N
-rxn:5:182010:225832:223058,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)ccc1C1CCOCC1,NNYCIFWDLCAEFD-UHFFFAOYSA-N
-rxn:5:182012:223058:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1C1CCCOC1,QQSJHPQXRAYVKT-UHFFFAOYSA-N
-rxn:5:182012:225639:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccnc2N2CCC(C)CC2)cc1C1CCCOC1,CTHRVVVPRXCUKM-UHFFFAOYSA-N
-rxn:5:182012:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2C2CCCNC2)c(C2CCCOC2)c1,WYWZELMCSZVUQR-UHFFFAOYSA-N
-rxn:5:183189:222957:223002,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)cc3F)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)c1,ZDXKYGCGFJRLPC-UHFFFAOYSA-N
-rxn:5:183189:222957:226686,Cc1cc(-c2cc(-c3c(C)cnn3C3CCCCO3)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)c1,WGJCESYTEGHXGG-UHFFFAOYSA-N
-rxn:5:183189:222958:225674,Cc1ccc(-c2cc(-c3cnc(C4CCCCC4)cc3F)cc3c2OC(C)(C)OC3)cc1C1CCNCC1,VNRMTBCXCTZKMG-UHFFFAOYSA-N
-rxn:5:183189:226686:223002,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)cc2F)cc2c1OC(C)(C)OC2,YVSONIJXIGLIDT-UHFFFAOYSA-N
-rxn:5:188459:225616:226058,COC(=O)c1cc([N+](=O)[O-])c(-c2ccccc2C(=O)N2CCCC2)cc1-c1c(C(C)C)cccc1C(C)C,UIDSIAFCQJYSRB-UHFFFAOYSA-N
-rxn:5:188459:225833:226067,COC(=O)c1cc([N+](=O)[O-])c(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccc(C2=CCCCC2)cc1,JMGOJRZZEVQCLS-UHFFFAOYSA-N
-rxn:5:188462:223000:227404,COC(=O)c1cc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2cc(N3CCCCC3)cs2)cc1[N+](=O)[O-],MRZCPUWNHMPFRE-UHFFFAOYSA-N
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-rxn:5:189207:225931:227907,CCC(C)c1cncc(-c2ccc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)cc2C(=O)ON2C(=O)CCC2=O)c1,GPKUIPLFUVXIPD-UHFFFAOYSA-N
-rxn:5:189207:226322:226749,COc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)cc1C(=O)ON1C(=O)CCC1=O,UZARDBLIQYFASN-UHFFFAOYSA-N
-rxn:5:189207:227029:225439,CC(c1cccc(-c2ccc(-c3ccccc3C(C)(C)C#N)cc2C(=O)ON2C(=O)CCC2=O)c1)N1CCCC1,OHWZXDIMQBGWOA-UHFFFAOYSA-N
-rxn:5:189209:228312:226440,COc1cnc(C#N)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(F)nc(C3CCCC3)c2)c1,BWMGNETVERZRJF-UHFFFAOYSA-N
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-rxn:5:189210:223378:226679,O=C(ON1C(=O)CCC1=O)c1c(-c2cnc3c(c2)NCCO3)cccc1-c1cnc(N2CCCC2)cc1F,CONQAFDMIVFMAQ-UHFFFAOYSA-N
-rxn:5:189210:226191:228490,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(S(=O)(=O)F)c2)cccc1-c1cc(C2CCCC2)ccc1F,GDVQEVFDOOAIPN-UHFFFAOYSA-N
-rxn:5:189210:227326:226679,COC(=O)c1ccc(C)c(-c2cccc(-c3cnc(N4CCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)c1,SZPOBCDCTCYLBR-UHFFFAOYSA-N
-rxn:5:189210:228305:225674,CC(C)Oc1cnc(-c2cccc(-c3cnc(C4CCCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,IAIMAPSZWGGSLH-UHFFFAOYSA-N
-rxn:5:189212:225394:223173,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,BABVJABDNCDPOZ-UHFFFAOYSA-N
-rxn:5:189336:225871:223132,CN(C(=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cccc(N3CCNCC3)c2)c1)C1CC1,MQOPSBYULZKIJE-UHFFFAOYSA-N
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-rxn:5:189449:226782:226782,COC(=O)c1cc(F)c(-c2ccc(-c3cc(F)c(C(=O)OC)cc3F)c(C(=O)N3CC(OC)C3)c2)cc1F,UITVTXNUDOTONQ-UHFFFAOYSA-N
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-rxn:5:189666:226044:227102,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1cc(C(C)(C)C)ccc1F,YZJMSQZVVMVMCO-MXIXCQMZSA-N
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-rxn:5:189909:226395:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,YLFXXDICGCDGAG-UHFFFAOYSA-N
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-rxn:5:191026:227295:226862,COC(=O)C1=CN(c2ccc(C)c(-c3cccc(OC(F)(F)F)c3F)c2)c2cc(-c3ccnc(OC4CCC4)c3)ccc2S1(=O)=O,LHEGCQSNDUTDKN-UHFFFAOYSA-N
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-rxn:5:193051:226395:225986,O=C1CCCN1Cc1ccc(-c2cncc(N3CCCCC3)c2)cc1-c1ccccc1N1CCCS1(=O)=O,XILIILRBQOTBAF-UHFFFAOYSA-N
-rxn:5:193226:223062:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2cnc(C3CCNCC3)cc2F)cc(F)n1,PETDQWOQHAXLGQ-UHFFFAOYSA-N
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-rxn:5:193230:225623:225946,CC(=O)c1cc(-c2cc(-c3cccc(OC4CCOCC4)c3)ccc2C(=O)N2CCOCC2)cc(C(F)(F)F)c1,KKXFXFQPJRIFOP-UHFFFAOYSA-N
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-rxn:5:193335:225803:223113,CC1(C)C(=O)Nc2ccc(-c3cccc(-c4ccnc(OC5CCOCC5)c4)c3CN3CCOCC3)cc21,WMJUHHBRIZGKIN-UHFFFAOYSA-N
-rxn:5:193382:223011:226583,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(CN3CCOCC3)s2)c1,KGOWNAFJWMQHBK-UHFFFAOYSA-N
-rxn:5:193382:223138:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,ACWWJKCEHJEQJU-UHFFFAOYSA-N
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-rxn:5:193382:225874:227660,Cc1ccc(C(F)(F)F)cc1-c1cc(-c2ccc(F)c(N3CCOCC3)c2)ccc1S(=O)(=O)N1CCOCC1,AXIIBMJXUWKFOQ-UHFFFAOYSA-N
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-rxn:5:193972:228180:225656,COCc1cc(-c2cc(C)c(-c3cncc(N4CCCCC4C)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,KNSJCAMAFPMGDG-UHFFFAOYSA-N
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-rxn:5:193972:229224:225454,CCn1nccc1-c1cc(C)c(-c2ccc(C3=CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCCCC1,VTQPOVKNBSHAGL-UHFFFAOYSA-N
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-rxn:5:194561:226736:226732,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2ccc(C#N)c(C(F)(F)F)c2)c(C(=O)N2C3CCC2COC3)c1,SGAXJJRFLPNAQW-UHFFFAOYSA-N
-rxn:5:194658:225666:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc2c(c1)CN(Cc1cccc(-c3cc(F)cc(N4CCCCC4)c3)c1)C(=O)CO2,DEKJKLAQMKREKJ-UHFFFAOYSA-N
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-rxn:5:194792:223004:227921,COC(C)c1cccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(C7CCNCC7)c(F)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1,XDMXVSZGNINZHB-UHFFFAOYSA-N
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-rxn:5:196198:226679:223056,O=C1C=CC(=O)N1c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccc(N3CCC(O)CC3)nc2)c1,RKAFDTZEORTCHE-UHFFFAOYSA-N
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-rxn:5:196620:225833:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCC2=O)c(-c2ccnc(N3CCCCC3)c2F)c1,RIENNVPTDZXHKN-UHFFFAOYSA-N
-rxn:5:196620:225986:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(N2CCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,ADKLNQYZXQBDRM-UHFFFAOYSA-N
-rxn:5:196858:222987:222958,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)nc2C)cc1C1CCNCC1,JLGFOJWVFJLPOV-UHFFFAOYSA-N
-rxn:5:196858:222988:223007,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cc(F)cc(C3CCNCC3)c2)cc(C2CCNCC2)n1,ISFIPEPWHIWCFC-UHFFFAOYSA-N
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-rxn:5:196858:226686:226652,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2c(C)cnn2C2CCCCO2)n(C2CCCCO2)n1,KLSTYWQRMAYXBW-UHFFFAOYSA-N
-rxn:5:196859:225683:222986,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)n1,WJIHPYJESRJKSA-UHFFFAOYSA-N
-rxn:5:196859:225832:226685,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1cnc(C2CCOCC2)nc1,OQUCAYGLKVSPHW-UHFFFAOYSA-N
-rxn:5:196869:225684:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCOCC3)nc2C)ccc1N1CCOCC1,WHGXWPNHAFFRRF-UHFFFAOYSA-N
-rxn:5:196872:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)c(-c2ccnc(NC3CCCCC3)c2)c1,ZDXHEVANYKPFSS-UHFFFAOYSA-N
-rxn:5:196916:225639:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2cccnc2N2CCC(C)CC2)c1,DWJBVSCVTFKUCQ-UHFFFAOYSA-N
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-rxn:5:196916:226371:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2cnc(N3CCCC3)cc2C)c1,XKDKNNDEYAGFHL-UHFFFAOYSA-N
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-rxn:5:196919:225638:225986,CC1CCN(c2ccc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)CC1,QCPBYDNXUDUFBF-UHFFFAOYSA-N
-rxn:5:196919:225639:225986,CC1CCN(c2ncccc2-c2ccc(C3=NC(C)(C)CO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)CC1,SNVVZJFWIVEXMK-UHFFFAOYSA-N
-rxn:5:196919:225652:225986,CC1CCCN(c2cncc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)C1,AOLTYYRZCPYIIY-UHFFFAOYSA-N
-rxn:5:196919:225656:225986,CC1CCCCN1c1cncc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1,LLMOYZOKDGUNDJ-UHFFFAOYSA-N
-rxn:5:196922:225639:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cccnc2N2CCC(C)CC2)cc(N2CCCCC2=O)c1,RBUDFRWFHJKRHI-UHFFFAOYSA-N
-rxn:5:196922:226371:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cnc(N3CCCC3)cc2C)cc(N2CCCCC2=O)c1,HPGFGMMCXVPGTK-UHFFFAOYSA-N
-rxn:5:196969:222998:222986,Cc1cc(-c2cc(C3CCCCC3)ncc2-c2cc(F)cc(C3CCCNC3)c2)cc(C2CCCNC2)n1,BTRANIOYXKKMJI-UHFFFAOYSA-N
-rxn:5:196969:227684:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cnn(CC2OCCO2)c1,IXAAQIOOIVRZRN-UHFFFAOYSA-N
-rxn:5:196970:222959:225832,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2c(C)nn(C3CCCCO3)c2C)ccc1C1CCNCC1,MGIVXHDJPXJKEO-UHFFFAOYSA-N
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-rxn:5:196971:223064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)ncc1C1CCCCC1,BCYRGWFTULOONE-UHFFFAOYSA-N
-rxn:5:196977:225634:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(N2CCCCC2)ccc1-c1cnc(N2CCCCC2)c(C)c1,YDEJZJQGMOHNSQ-UHFFFAOYSA-N
-rxn:5:196977:225636:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(N2CCCCC2)ccc1-c1ccnc(N2CCC(C)CC2)c1,FARMLECMTZMHKX-UHFFFAOYSA-N
-rxn:5:196977:225985:225655,CC1CCN(c2cncc(-c3cc(N4CCCCC4)ccc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,VPZDDTGLTKOFIJ-UHFFFAOYSA-N
-rxn:5:196978:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2ccncc2C2CCCCC2)c1,BPZYBEAKMHDXCB-UHFFFAOYSA-N
-rxn:5:196979:225871:223065,O=C1C=CC(=O)N1c1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3F)cc(N3CCCCC3)c2)c1,HBJBHDRSNJLVBA-UHFFFAOYSA-N
-rxn:5:222985:182012:222956,Cc1ccc(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2C2CCCOC2)c(C2CCCNC2)c1,OMKSVLAIMUODDK-UHFFFAOYSA-N
-rxn:5:223002:196858:222988,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)cc2F)cc(C2CCNCC2)n1,CBWWLEQHERVGAG-UHFFFAOYSA-N
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-rxn:5:226182:180022:223061,COc1c(-c2cc(C3CCNCC3)ncc2F)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,NMEGCBZADJVHFM-UHFFFAOYSA-N
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-rxn:5:226215:193866:228181,COCc1cc(F)ccc1-c1cc(C2(N3CCC(=O)CC3)CC2)ccc1-c1ccc2c(c1)CC/C2=N\OC,QTNPRPAJSKUNNA-WUVHBKSUSA-N
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-rxn:5:226643:196969:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(N2CCOCC2)nc1,WYMGOWBNIBUGHM-UHFFFAOYSA-N
-rxn:5:226665:196969:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cnc(C2CCCOC2)nc1,TWCWFSUJJYOQNK-UHFFFAOYSA-N
-rxn:5:226679:189210:223378,O=C(ON1C(=O)CCC1=O)c1c(-c2cnc3c(c2)NCCO3)cccc1-c1cnc(N2CCCC2)cc1F,CONQAFDMIVFMAQ-UHFFFAOYSA-N
-rxn:5:226686:193337:223140,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)c(CN2CCOCC2)c1,LBLKWLVNASKPAV-UHFFFAOYSA-N
-rxn:5:226686:193540:223136,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(-c2ccncc2C2CCCNC2)c1,GQILUIWLJZSHOC-UHFFFAOYSA-N
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-rxn:5:226772:178295:228596,CCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)n1,FMUVNJJXRQNXFK-UHFFFAOYSA-N
-rxn:5:226778:189908:227449,COc1cc(-c2cnc(-c3ccc(C4CCOCC4)s3)c(OCC3CCCCC3)c2)c(F)c(F)c1OC,BROSMRGCFBZEFY-UHFFFAOYSA-N
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-rxn:5:226911:178295:227038,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,CXRSYAAUZFDQJM-UHFFFAOYSA-N
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-rxn:5:227048:178295:227088,COC(=O)C1(c2cc(-c3cc(C)nc(C(C)(C)C)c3)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,FLQVCOCGCPGZKU-UHFFFAOYSA-N
-rxn:5:227052:178295:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,ZBZYPTORXUKZEO-UHFFFAOYSA-N
-rxn:5:227058:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(C3CC3)ccc2OC)CCC(=O)CC1,IBOJCZLJDYABQG-UHFFFAOYSA-N
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-rxn:5:227069:178295:227919,CCOc1cc(C)cc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,YLXDWAMBKQPNAT-UHFFFAOYSA-N
-rxn:5:227072:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(C3CC3)cc2OC)CCC(=O)CC1,TXTUSWGGKXWEFX-UHFFFAOYSA-N
-rxn:5:227075:178295:227904,CCN(C)c1ccc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,UIFRHICFNMRIMU-UHFFFAOYSA-N
-rxn:5:227075:178295:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JQHWACZYAFCPAE-UHFFFAOYSA-N
-rxn:5:227076:191026:227705,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,SRHMDQGNRGJUBC-UHFFFAOYSA-N
-rxn:5:227076:191026:227820,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)C)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,CPVZGMJRPIHYTF-UHFFFAOYSA-N
-rxn:5:227077:178295:228396,CCC(C)c1ccc(-c2ccc(-c3c(F)cc(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,UKHXEJRNVZVMKZ-UHFFFAOYSA-N
-rxn:5:227103:180662:225880,COC(=O)C1=Cc2cc(-c3cc(C4CCOCC4)ncc3F)cc(-c3sccc3C3CCCCC3)c2OC1,QZHZWQVPRKGXNT-UHFFFAOYSA-N
-rxn:5:227106:178295:227935,CCc1cc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,SLCVPVPSHHJSAJ-UHFFFAOYSA-N
-rxn:5:227124:178295:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C(C)(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WAEMDRFUCUNOGV-UHFFFAOYSA-N
-rxn:5:227209:178295:227941,COCc1cc(C)cc(-c2ccc(-c3ccc4c(c3)OC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HFWLPCLWPZYCIA-UHFFFAOYSA-N
-rxn:5:227288:178295:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2ccccc2C(=O)N(C)C)CCC(=O)CC1,BODMJZLWPHYOPA-UHFFFAOYSA-N
-rxn:5:227309:178295:227912,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)OC)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,LFSYZLSWQLZJPG-UHFFFAOYSA-N
-rxn:5:227312:178295:227822,CCC(C)c1ccc(-c2ccc(-c3c(C)cccc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,STEIZQPDCNGHKX-UHFFFAOYSA-N
-rxn:5:227319:178295:223421,CNC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,VFHGDMKAVHSUEI-UHFFFAOYSA-N
-rxn:5:227353:178295:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,YXFADJGHHPBDRP-UHFFFAOYSA-N
-rxn:5:227375:178368:225633,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCCC4)nc3)c(C)c2)c(C)cc1-c1ccc(N2CCCC2)nc1,BAHOJSJQIJIVSP-UHFFFAOYSA-N
-rxn:5:227387:189448:225986,COC1CN(C(=O)c2ccc(-c3ccnc(N4CCCC4)c3)c(-c3ccccc3N3CCCS3(=O)=O)c2)C1,FFQYGKPTGCONDR-UHFFFAOYSA-N
-rxn:5:227390:180022:223001,COc1c(-c2cc(C3CCCNC3)ccc2F)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,SQYIAXWZRKRGAD-UHFFFAOYSA-N
-rxn:5:227416:193506:226414,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCC4)c3)cc2-c2ccc(C3=NCCCO3)cc2)CC1,ICGXQGFQFMIJPS-UHFFFAOYSA-N
-rxn:5:227521:178295:228279,CCc1cc(F)c(-c2ccc(-c3cc(C(=O)OC)cnc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VYLJTSVYDWUKGY-UHFFFAOYSA-N
-rxn:5:227530:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,UONAGHXRWBPZPH-UHFFFAOYSA-N
-rxn:5:227568:178295:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,XKGARJGISZTXQK-UHFFFAOYSA-N
-rxn:5:227587:193462:225454,COc1cc(-c2ccc(-c3ccc(C4=CCN(C)CC4)cc3)c(CN3CCC(=O)CC3)c2)cc(F)c1OC,RTNSHGHEEVKJTN-UHFFFAOYSA-N
-rxn:5:227701:178295:227816,CCCc1ccc(-c2ccc(-c3cc(C(=O)OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,GDONJGWZMIHGBV-UHFFFAOYSA-N
-rxn:5:227808:178295:226783,COC(=O)C1(c2cc(-c3c(OC)cc(F)c(F)c3OC)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,AXKQOSGNBAMLBD-UHFFFAOYSA-N
-rxn:5:227810:178295:227313,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)CC)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,XVRPZTPRFYVBAU-UHFFFAOYSA-N
-rxn:5:227810:178295:227339,CCC(C)c1ccc(-c2ccc(-c3ccc(C)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,SDTQTKMPSZEXBL-UHFFFAOYSA-N
-rxn:5:227813:178295:223270,CCc1cccc(CC)c1-c1ccc(-c2ccc(F)cc2NC(C)=O)cc1C1(C(=O)OC)CCC(=O)CC1,HWCQIVZQSPCDQF-UHFFFAOYSA-N
-rxn:5:227816:178295:227696,CCCc1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,VXDRBPCWPLLFEW-UHFFFAOYSA-N
-rxn:5:227818:178295:227052,CCC(C)c1cccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GYOXGSCJHTUPFU-UHFFFAOYSA-N
-rxn:5:227819:178295:226923,CCc1cc(CC)cc(-c2ccc(-c3cc(C)c(C4CC4)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RIKNFSHEUDQMGC-UHFFFAOYSA-N
-rxn:5:227821:178295:225498,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,MWJZKJBXBWIGNT-UHFFFAOYSA-N
-rxn:5:227821:178295:227038,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(C)C)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,YJXFXUFTWFNWQL-UHFFFAOYSA-N
-rxn:5:227822:178295:226910,CCC(C)(C)c1ccc(-c2ccc(-c3c(C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,WCMGBPKCUFZUAQ-UHFFFAOYSA-N
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-rxn:4:173699:222752,COc1ccccc1C=CC=C1Oc2cc(OCc3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4C)cc3)ccc2C1=O,RWOCWWWQWZIASP-UHFFFAOYSA-N
-rxn:4:173704:222908,COc1cccc2c(-c3cncc(NC(=O)OC(C)(C)C)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,DDDQRGYPPSKQJE-UHFFFAOYSA-N
-rxn:4:173710:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(OCC(F)F)cc1OC(F)(F)F,YAJLJZVSFSFVQC-UHFFFAOYSA-N
-rxn:4:173713:224729,COc1nccc(-c2ccc(OCC(F)(F)F)cc2OC(F)(F)F)c1C(=O)OC(C)(C)C,XZTXSIZQYPPUMT-UHFFFAOYSA-N
-rxn:4:173809:224705,CC1CCN(c2ccc(-c3cc(C(F)(F)F)ccc3OC(C(F)(F)F)C(F)(F)F)c(F)c2F)CC1,IRHIXGLPUVOKNG-UHFFFAOYSA-N
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-rxn:4:174087:223541,CCOC(=O)CCc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1C,XRTAWDVLBOTNLU-UHFFFAOYSA-N
-rxn:4:174106:224663,CN1CCN(Cc2ccc(-c3ccc(OCC4CCC4)cc3OC(F)(F)F)cc2F)CC1,IROPPSDDZCXCNV-UHFFFAOYSA-N
-rxn:4:174135:223842,CCOC(=O)c1ccc(OC(C)C)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c1,VOCOALKFKRAGAN-UHFFFAOYSA-N
-rxn:4:174196:224065,COc1ccc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)cc1OCCC1OCCO1,TZTMTVSYMWIXKV-UHFFFAOYSA-N
-rxn:4:174244:223602,COC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(OCc2ccccc2)c(F)c1F,UFIYTQBSAVYDDV-UHFFFAOYSA-N
-rxn:4:174286:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)CCC(=O)c4ccc(Cl)cc4)cc3)cc2F)CC1,PRLNTRVWDNUBQU-UHFFFAOYSA-N
-rxn:4:174303:224398,Cc1ccc(OCC(=O)OC(C)(C)C)c(-c2cc(S(=O)(=O)N3CCCC3)c(C)cc2F)c1,LPNVJRWQDCGFCB-UHFFFAOYSA-N
-rxn:4:174406:224893,COC(=O)C1(c2ccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)cc2)CC(OC)(OC)C1,PQDDIOJLBZRDTD-UHFFFAOYSA-N
-rxn:4:174407:224649,COC(=O)C1(c2cccc(-c3cc(F)ccc3OCC3CCCCO3)c2)CC(OC)(OC)C1,ILQCCPMBBCEQPT-UHFFFAOYSA-N
-rxn:4:174428:222725,CCNS(=O)(=O)c1ccc(-c2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2)c(C(F)(F)F)c1,DKOJVWIWPMPALT-UHFFFAOYSA-N
-rxn:4:174436:225805,CC(c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)s1)N1CCOCC1,XIUVUJZGAYDCDR-UHFFFAOYSA-N
-rxn:4:174441:224496,CCN1CCN(Cc2cccc(-c3ccc(C)cc3OC3(C(=O)OC(C)(C)C)CC3)c2)CC1,BSWYSJWVVPENKX-UHFFFAOYSA-N
-rxn:4:174483:223683,COc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1CO[Si](C)(C)C(C)(C)C,RAQXJMWPKLIBHT-UHFFFAOYSA-N
-rxn:4:174522:225899,Cc1cc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)n(C(=O)OC(C)(C)C)n1,BGTHZFKSOXEOTE-UHFFFAOYSA-N
-rxn:4:174528:222815,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(S(=O)(=O)NC(=O)C(C)C)cc1,DTZKQVQSAGXVJN-UHFFFAOYSA-N
-rxn:4:174528:222919,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1,IMDOMTNSFDCXRT-UHFFFAOYSA-N
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-rxn:4:174576:223490,COc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2cc(C(=O)OCc3ccccc3)c(=O)oc12,NOVHSPKUWRERRO-UHFFFAOYSA-N
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-rxn:4:174663:223242,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccnc(C3CCNC3)c2)cc1,TYKNURPPFUPSIK-MWXIJASKSA-N
-rxn:4:175095:222716,Cc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc1OCC(F)(F)C(F)(F)F,UKESUMHWHZYPDS-UHFFFAOYSA-N
-rxn:4:175398:223493,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1OCC(C)C,DPVUYBPAQMGDAS-UHFFFAOYSA-N
-rxn:4:175605:224318,CN1CCN(C(=O)c2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3C(F)(F)F)cc2F)CC1,ZKMFJKWASZNJEI-UHFFFAOYSA-N
-rxn:4:175726:223884,CC(C)COc1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)ccc1C(C)(F)F,GLWKIVOCXRWTPL-UHFFFAOYSA-N
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-rxn:4:175988:222717,Cc1cc(-c2c(OCC3CCCCC3)cccc2C(F)F)c(S(=O)(=O)NC(C)(C)C)cc1F,VBHIVODKZFKMJF-UHFFFAOYSA-N
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-rxn:4:176270:222545,CC(C)=CCOc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)C2=O,XRZZKSSMRSLNPF-UHFFFAOYSA-N
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-rxn:4:176676:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(S(=O)(=O)CC(F)F)c3)cc2C)CC1,XPTXFXJSYKVGAM-UHFFFAOYSA-N
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-rxn:4:177684:223997,Cc1cc(-c2ccccc2S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc(C)c1S(=O)(=O)N1CCOCC1,VZDOGONXVRONDZ-UHFFFAOYSA-N
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-rxn:4:178023:223813,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c(OC)c1C1OCCO1,PGTGBBWAYJKTFY-UHFFFAOYSA-N
-rxn:4:178025:223815,COc1cc(C2OCCO2)cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1OC,GULHBCLIIZUOMC-UHFFFAOYSA-N
-rxn:4:178076:223505,Cc1cc(-c2ccccc2OC(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,AABVLZXLSXGLOB-UHFFFAOYSA-N
-rxn:4:178327:224060,COC(=O)C1(c2ccc(-c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)cc2)CCCCC1,QGPCUIHVIVWEAU-UHFFFAOYSA-N
-rxn:4:178381:222844,CC(C)(C)c1cc(C(C)(C)C)c(-c2cccc(NC(=O)C3CCCC3)c2)c(C(C)(C)C)c1,HWGBMQFLPUSTCW-UHFFFAOYSA-N
-rxn:4:178381:223934,CC(C)(C)OC(=O)n1c(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc2ccc(F)cc21,ZHPNMOQHWUAHBJ-UHFFFAOYSA-N
-rxn:4:178384:227242,CCCOc1cccc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,FGGBAZIJWYZDDV-UHFFFAOYSA-N
-rxn:4:178384:229095,Cc1nc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,DWHNULZRQGVADP-UHFFFAOYSA-N
-rxn:4:178463:223866,CCOC(=O)C1Cc2c(cccc2-c2ccccc2CN2C(C)(C)CCCC2(C)C)C1=O,VOBIIWOFGQPPDV-UHFFFAOYSA-N
-rxn:4:178516:222465,CCCOc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c2c1CCCC2,DDKAULVUVBFUNC-UHFFFAOYSA-N
-rxn:4:178594:226464,COc1ccc2c(c1-c1cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc1F)OCCO2,PXWXZFVTWCOAJL-UHFFFAOYSA-N
-rxn:4:178598:225061,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(N3CCC(C)CC3)cc2F)c1,KYHQNACZWSLKPU-UHFFFAOYSA-N
-rxn:4:178945:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3C(F)F)cc2F)CC1,VQVQQKJVXDGFDK-UHFFFAOYSA-N
-rxn:4:180395:223712,COc1ccc(-c2cc(C3CC3)cc(C3CCOC3)c2)cc1C12CC3CC(CC(C3)C1)C2,SQXHYPWPNSIERS-UHFFFAOYSA-N
-rxn:4:180487:223712,COc1ccc(-c2ccc(C3CC3)cc2C2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,GUIKWHBDQKIZMC-UHFFFAOYSA-N
-rxn:4:180514:223712,COc1ccc(-c2cc(C(C)C)cc(C3CCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,FXOKOUOREIZSRN-UHFFFAOYSA-N
-rxn:4:180610:223815,O=C1c2ccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cc2CC1C(=O)C(F)(F)F,BUJJJBXBCYOGSN-UHFFFAOYSA-N
-rxn:4:180855:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c2F)C1,MLHJCGGRDGDLAD-UHFFFAOYSA-N
-rxn:4:180856:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cnc21,PVUPRSVJVGOJDF-UHFFFAOYSA-N
-rxn:4:180952:223490,Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WHWNQGDFZFXRGY-UHFFFAOYSA-N
-rxn:4:182345:223900,COc1cc(-c2ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c2)cc2c1OC(=O)CC2(C)C,ZYRCURIMCQLXRO-UHFFFAOYSA-N
-rxn:4:182359:223812,COC1CCC2(CC1)Oc1ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc1C2=O,PWLULFPOKLTHNU-UHFFFAOYSA-N
-rxn:4:182372:222651,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cc1C2=O,QJCMXDSJLJLAHL-RSIILCRJSA-N
-rxn:4:182372:223929,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc1C2=O,QRISNWOOTXBWEJ-RSIILCRJSA-N
-rxn:4:182372:224768,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)cc1C2=O,GOFKIYLEIAARSV-KQODVJPSSA-N
-rxn:4:182376:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(=O)[C@@]3(C4)C[C@@H](C)[C@H](OC)[C@@H](C)C3)cc2)CC1,FCYNWGKIMDXTIU-HUNRJYJBSA-N
-rxn:4:182376:225009,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C)cnc4OC4CCCCC4)cc3C2=O)C[C@@H]1C,HUXRFPZAVMWADZ-QYWINIKXSA-N
-rxn:4:182376:225059,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCC(C)CC5)cc4Cl)cc3C2=O)C[C@@H]1C,PODZHAMEVFKLIQ-BFVWLKTBSA-N
-rxn:4:182376:225904,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C(=O)N(C)OC)ccc4F)cc3C2=O)C[C@@H]1C,CGLWXRLLMQWBFU-YVMZNKTPSA-N
-rxn:4:182396:222615,CC(C)Cc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CCNCC2)c1,MXUZVICQBQWSMR-UHFFFAOYSA-N
-rxn:4:182421:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc4ccc5cc(C(C)(C)C)cc6ccc(c3)c4c56)cc2)CC1,DCBKESPCVRLQGY-UHFFFAOYSA-N
-rxn:4:183003:223608,O=S1(=O)CCOc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cc21,IXXMLYTUUXAPNG-UHFFFAOYSA-N
-rxn:4:183083:223606,O=C1CCCc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c21,BZQWHADMYJKVDP-UHFFFAOYSA-N
-rxn:4:183272:225896,COCCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(F)cc1F,KFFZRTUBSHMPFI-UHFFFAOYSA-N
-rxn:4:183273:226686,Cc1cnn(C2CCCCO2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GSJDFOHMEIZGKB-UHFFFAOYSA-N
-rxn:4:183274:226491,COCCOc1cc(Cl)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,SBMIHLDNMPFHAA-UHFFFAOYSA-N
-rxn:4:183274:226760,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(F)c1F,HSCZGXMAWIRENV-UHFFFAOYSA-N
-rxn:4:183274:227467,COCCOc1cnccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,XHRZRVKSWWVMGZ-UHFFFAOYSA-N
-rxn:4:183274:228431,CSc1c(F)cc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NHFNTDABCKMCFB-UHFFFAOYSA-N
-rxn:4:183493:223980,CCOC(=O)Cc1c(C#N)ccc(C(F)F)c1-c1cccc(S(=O)(=O)N2CCN(CC)CC2)c1,LWJJWXPXURVFOF-UHFFFAOYSA-N
-rxn:4:183504:223776,CCOC(=O)Cc1cc(C(F)F)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1C#N,UCGFKGHKROEBJD-UHFFFAOYSA-N
-rxn:4:183525:223981,CCOC(=O)Cc1ccc(C(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)c1C#N,BNQSEHCLHWXIMA-UHFFFAOYSA-N
-rxn:4:183634:224821,CC(C)(C)OC(=O)COc1cc(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc(F)c1C#N,GCSCAYPQURZCCW-UHFFFAOYSA-N
-rxn:4:183674:223697,O=C(CCSc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1,NILVAIHENFFEGK-UHFFFAOYSA-N
-rxn:4:183712:224153,CCCN(CCC)S(=O)(=O)c1ccc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)cc1,NFWQWGVQACTLEH-UHFFFAOYSA-N
-rxn:4:183836:223032,CCCNC(=O)c1ccc(-c2ccc(OCC(=O)N(CC)C3CCS(=O)(=O)C3)cc2)c(F)c1,CPAWKMCBMZCXTL-UHFFFAOYSA-N
-rxn:4:183836:223136,CCN(C(=O)COc1ccc(-c2ccncc2C2CCCNC2)cc1)C1CCS(=O)(=O)C1,GGQCBXCLUPAFSN-UHFFFAOYSA-N
-rxn:4:183872:225904,COCCOc1cc(-c2cc(C(=O)N(C)OC)ccc2F)ccc1C(=O)N1CCCCC1,SQKGBWPUDAZERC-UHFFFAOYSA-N
-rxn:4:183880:225898,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cnn(CCN4CCOCC4)c3)cc2F)C1,DQEDBCLVPQHRMV-UHFFFAOYSA-N
-rxn:4:183883:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OCCC4CCN(CC(F)(F)F)CC4)cc3)ccc2F)CC1,HDARHJFIBPKHDQ-UHFFFAOYSA-N
-rxn:4:183890:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(F)c(OCC2CN(C(=O)OC(C)(C)C)C2)c(F)c1,HDLLSTOMROTKAL-UHFFFAOYSA-N
-rxn:4:183900:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)c1,VZKFTDQRUSFTDK-UHFFFAOYSA-N
-rxn:4:183903:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(C#C[Si](C)(C)C)c(OC(=O)OC(C)(C)C)c2)c1,UZPXTFYKCSMSPG-UHFFFAOYSA-N
-rxn:4:183906:226775,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(Cl)c(C(=O)OC)cc1F,XKWDXSLOSRJTDX-UHFFFAOYSA-N
-rxn:4:183926:224302,CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(-c2ccc(S(=O)(=O)Oc3ccc(Cc4ncc(C(F)(F)F)cc4Cl)cc3)cc2)c1F,SEFUNNDODBRREV-UHFFFAOYSA-N
-rxn:4:183947:223503,Cc1cc(OC2CN(C(=O)CCc3ccccc3-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)C2)cc(=O)o1,AIOQGAFGRNKDJS-UHFFFAOYSA-N
-rxn:4:183990:223022,CCOc1ccc(N(C(=O)c2cccc(-c3ccc(C(=O)NCCOC)cc3)c2)C2C=CS(=O)(=O)C2)cc1,OKWJTQZTZWXCBP-UHFFFAOYSA-N
-rxn:4:184017:223923,CN(C(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F)C1CCCCC1,DUAUDIDMMKJJQI-UHFFFAOYSA-N
-rxn:4:184034:227257,CCCOc1ccc(-c2cc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)c(OC)cc2C)cc1F,PGCYHBWLCDCMOG-UHFFFAOYSA-N
-rxn:4:184060:225115,CCOc1c(Cl)cc(-c2ccc(C(=O)COC(=O)C3CC(=O)N(c4cc(C)ccc4C)C3)cc2)cc1OC(C)C,YVWFONKKJCKKKG-UHFFFAOYSA-N
-rxn:4:184099:224902,COc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1-c1ccccc1,SQVXSGJKWOXFMK-UHFFFAOYSA-N
-rxn:4:184159:225743,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(CC(=O)OC)ccc3OC)c1)C2=O,PQXQOQNKNWOOCK-UHFFFAOYSA-N
-rxn:4:184159:225763,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(=O)OC)c(OC)cc3C)c1)C2=O,XIDLKNISHQKDBY-UHFFFAOYSA-N
-rxn:4:184160:223888,CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc2c1=O,DSRAYSUXKZGJPL-UHFFFAOYSA-N
-rxn:4:184216:226507,CC(C)COc1cc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)c(F)cn1,CJORQPNUAYEMSB-UHFFFAOYSA-N
-rxn:4:184277:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C#N)c(OC(C(F)(F)F)C(F)(F)F)c1,YTEYFJXMLRFCMD-UHFFFAOYSA-N
-rxn:4:184384:224416,COC(=O)Cc1cc(C(F)F)c(C#N)cc1-c1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1,SILSNSRIKYISHW-UHFFFAOYSA-N
-rxn:4:184414:222603,CCOC(=O)c1cc(C#N)c(C(F)F)cc1-c1cc(OC)c(NC(=O)OC(C)(C)C)cc1Cl,IZGNMHDJTHEKDY-UHFFFAOYSA-N
-rxn:4:184475:224326,CCOC(=O)c1c(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)cc(C#N)cc1C(F)(F)F,RXNVIWCXWXVGKR-UHFFFAOYSA-N
-rxn:4:184499:224376,CCOC(=O)c1c(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc(C#N)c1C(F)(F)F,DGBAEUXCRXYJAJ-UHFFFAOYSA-N
-rxn:4:184615:223847,CCCCCC1CCC(c2ccc(-c3cc(C(F)(F)F)c(OC)nc3C(=O)OCC)cc2)CC1,NTBGHVBQKOSVKO-UHFFFAOYSA-N
-rxn:4:184670:222426,CON(C)C(=O)CCc1cccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c1,DYFPCPGLANCNQA-UHFFFAOYSA-N
-rxn:4:184839:222857,CCN(CC)S(=O)(=O)c1cc(-c2cc(OC)cc(C3CCNCC3)c2)cc(C(F)(F)F)c1,GTFBZFCGSAOPBE-UHFFFAOYSA-N
-rxn:4:184888:223699,COC(=O)C1CN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c(C(F)(F)F)c2)C1,NADJTDBJVLRZIX-UHFFFAOYSA-N
-rxn:4:184902:223979,O=C(c1cc(-c2cccc(OCCCN3CCCC3)c2)cc([N+](=O)[O-])c1)N1CCCCC1,CJXWJKKXGQAUEW-UHFFFAOYSA-N
-rxn:4:184908:222676,COc1ccc(OCC(=O)N2CCCC2)c(-c2cc(F)ccc2CNC(=O)OC(C)(C)C)c1,VTEHECDGHNGNIC-UHFFFAOYSA-N
-rxn:4:184952:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cc(F)ccc1CN(C)C(=O)OC(C)(C)C,VMWMCZWNTXMWBM-UHFFFAOYSA-N
-rxn:4:184987:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC4)c(OCC(C)C)c3)c(F)c2)CC1,AFQMFSASLMSUSJ-UHFFFAOYSA-N
-rxn:4:185020:222724,CC(C)N(C(=O)Cc1ccccc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1)C(C)C,FYVKJPXIIONGNM-UHFFFAOYSA-N
-rxn:4:185082:222826,CCN(C(=O)OC(C)(C)C)c1cc(C)cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c1,BTPMHHCWWOMTBB-UHFFFAOYSA-N
-rxn:4:185113:224709,O=C(CS(=O)(=O)c1ccc(-c2c(OC(F)(F)F)ccc3ccccc23)cc1)N1CCCC(C(F)(F)F)C1,APJLDEMFZCQGEE-UHFFFAOYSA-N
-rxn:4:185114:224999,CC(c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)cc2)cc1)N1CCOCC1,MSDAFZUZUIJWTC-UHFFFAOYSA-N
-rxn:4:185139:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CCN4CCC(C(=O)OC)CC4)ccc3F)cc2)CC1,ZDJOMTAQOMGICX-HCGLCNNCSA-N
-rxn:4:185155:224270,COC(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)cc1CN1CCC(C(F)(F)F)CC1,PTJGWEQCFKMMGQ-UHFFFAOYSA-N
-rxn:4:185158:223925,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cc(C)c(F)c(OCc3ccccc3)c2F)c1,XWLBBTJHKYBIRH-UHFFFAOYSA-N
-rxn:4:185165:227033,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(C4CC4)c(C#N)c3)ccc2C(F)(F)F)C1,MNHVCYPKTDBCJK-UHFFFAOYSA-N
-rxn:4:185168:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN(C(=O)c4ccco4)C4CCS(=O)(=O)C4)c3)c(F)c2)CC1,OGRIHXVTALWYCT-KSWCRKJXSA-N
-rxn:4:185229:225310,O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C(F)(F)F)c(Cl)cc2C2CC2)C1,YBSSNEBSRHQUMF-UHFFFAOYSA-N
-rxn:4:185230:224819,COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)c3)C2)cc1,FGBMWMZNERBDFE-UHFFFAOYSA-N
-rxn:4:185242:224100,CCC(CC)C(=O)N1CCCC1c1ccc(-c2ccccc2OCCN2CCC(C)CC2)cc1,QXGUJGXGFDORIW-UHFFFAOYSA-N
-rxn:4:185242:224789,CCCOc1cc(OC(F)(F)F)cc(-c2ccc(C3CCCN3C(=O)C(CC)CC)cc2)c1,YXDVTLILZYXRQN-UHFFFAOYSA-N
-rxn:4:185261:225377,CCN(C(=O)c1cc(OC)ccc1-c1ccc(OC(F)F)c(C(F)(F)F)c1)C1CCCCC1,ZESQIMNMTXLRFH-UHFFFAOYSA-N
-rxn:4:185316:226307,COCc1cc(C)cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C2CC2)c1OC,UGBBMOSNPLAMQK-UHFFFAOYSA-N
-rxn:4:185373:226723,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(OC)ncc3C(=O)OC)c(C)cc2C)CC1,NOHMGBOLENGVRR-UHFFFAOYSA-N
-rxn:4:185386:222439,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)c2)C1,KISCQUPUVAMUJA-UHFFFAOYSA-N
-rxn:4:185391:222718,Cc1cccc(C(=O)N(Cc2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)C2CCS(=O)(=O)C2)c1,PLWZVJPTCPPPTR-UHFFFAOYSA-N
-rxn:4:185398:224274,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)c1,VEVJXBVXXVGCLR-UHFFFAOYSA-N
-rxn:4:185407:227103,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1sccc1C1CCCCC1,TYIKDNSPQVOVHL-UHFFFAOYSA-N
-rxn:4:185414:222869,Cc1cc(Cl)cc(-c2ccc(F)c(C(=O)NCC(C)C)c2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,GDDINQGOOYGBQW-UHFFFAOYSA-N
-rxn:4:185428:223858,COc1cc2c(cc1-c1cc(C(C)(C)C)ccc1OCC(=O)N1CCC(C)CC1)-c1ccccc1C2(C)C,CGBJXSXBVJAZMK-UHFFFAOYSA-N
-rxn:4:185434:226259,CCCCOc1ccc(-c2cc(OC)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1Cl,QOTZVCPBBMSSCT-UHFFFAOYSA-N
-rxn:4:185442:224603,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cccc3c2cnn3C2CCCCO2)cc(C2COC2)c1,UKDALYZJNVSIQZ-UHFFFAOYSA-N
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-rxn:4:185798:223542,CCOC(=O)c1cc(C#N)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,WGGONOPYEOGXKE-UHFFFAOYSA-N
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-rxn:4:186969:223712,COC(=O)c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c(CN2CCCC2)c1,FVMBANZDLKQZED-UHFFFAOYSA-N
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-rxn:4:187091:224602,O=C(c1ccc(-c2ccc3cnn(C4CCCCO4)c3c2)cc1)C1CCN(C(=O)C(F)(F)F)CC1,CPOSFRREXIHSNF-UHFFFAOYSA-N
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-rxn:4:187191:222716,CCCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)cc1,JDCCLOMMZVPKSH-UHFFFAOYSA-N
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-rxn:4:187276:225729,CCCCOc1ccc(F)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1F,LQEBUEHDXUMXST-UHFFFAOYSA-N
-rxn:4:187291:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)cc3CN(C)C3CCCC3)c(F)c2)CC1,OCFCUUNBOBVJGM-HZCBDIJESA-N
-rxn:4:187321:223998,CCOc1cccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c1CN1CCCC(F)(F)C1,LXHWXCFAVMSWJQ-UHFFFAOYSA-N
-rxn:4:187349:224682,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1Cl)N1CCCCC1,YLUYMEKLPPPXEY-UHFFFAOYSA-N
-rxn:4:187386:222518,CCOC(=O)C1ON=C(c2ccc(C)c(-c3ccc(F)c4sc(NC(=O)OC(C)(C)C)nc34)c2)C1(C)C,NPJCDHUTACJZCZ-UHFFFAOYSA-N
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-rxn:4:187475:222628,CCC1CCCCN1c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1COC,ZDCDCOCAXOTJCH-UHFFFAOYSA-N
-rxn:4:187478:224312,CC(C)Oc1cccc(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)c1CN1CCCCC1,UCJHBFHBHQHAIX-UHFFFAOYSA-N
-rxn:4:187480:224662,CCOc1cccc(-c2cc(F)ccc2CN2CCN(C)CC2)c1CN1CCCC(C)C1,ZMJVCTIUXXIKQE-UHFFFAOYSA-N
-rxn:4:187483:222826,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c(OC)c1,RRTMXNJEQCKKGL-UHFFFAOYSA-N
-rxn:4:187484:222977,CCOc1ccc(-c2cc(C(=O)NC3CC3)ccc2C)cc1S(=O)(=O)N1CCCCC1C,JBTHEFKDSHJVQT-UHFFFAOYSA-N
-rxn:4:187490:222925,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,JWFTZSPBOWOIHO-UHFFFAOYSA-N
-rxn:4:187542:225126,COc1cc(-c2cc(F)ccc2OCC2CCCO2)cc(OC)c1CN1CCC(C)CC1,HTBYYPYNIUPRNM-UHFFFAOYSA-N
-rxn:4:187543:224587,COc1cc(-c2ccc(CN3CCC(C)CC3)c(F)c2)cc(OC)c1CN1CCCC(C)C1,WMCYYNRIXHWTHA-UHFFFAOYSA-N
-rxn:4:187547:224965,CCN(C(=O)c1ccc(-c2cccc(OCC3CCOCC3)c2)c(C)c1)C1CCCCC1,TVYWNDXFRPUBOE-UHFFFAOYSA-N
-rxn:4:187628:224291,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(OCCN2CCOCC2)c(F)c1,SFSVSTSFZRIJCH-UHFFFAOYSA-N
-rxn:4:187673:222732,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2ccc(C(=O)NC3CCCCC3)cc2)c1,WNBCKTKAWJGYIU-UHFFFAOYSA-N
-rxn:4:187686:224665,CN1CCN(Cc2cc(F)ccc2-c2cccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)c2)CC1,WKGNORCWJDFZSN-UHFFFAOYSA-N
-rxn:4:187692:222983,O=C(c1ccc(-c2cccc(CN3CCC(O)C3)c2)c(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2,JJIIMHOGRSJFKJ-UHFFFAOYSA-N
-rxn:4:187750:224319,CCOC(=O)c1cnc2c(C(F)(F)F)cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C)cc2c1Cl,IXIQGSBYHKXSIO-UHFFFAOYSA-N
-rxn:4:187890:222545,CN(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)c1)C2=O,KEILYJNKPVRYEU-UHFFFAOYSA-N
-rxn:4:187896:222647,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cc(C)c(NC(=O)OC(C)(C)C)cc1C,IALHCDJWRSCDRX-UHFFFAOYSA-N
-rxn:4:187945:223123,COC(=O)C1=Cc2cc(-c3ccc(NC(=O)C(C)C)cc3)ccc2N(CC(C)C)CCC1,VWIDEIZVYWGSNM-UHFFFAOYSA-N
-rxn:4:187946:223035,COc1ccc2c(c1-c1cccnc1NC(=O)C(C)(C)C)CCN(C(=O)OC(C)(C)C)[C@@H]2C,STPYOVLFPKLTED-MRXNPFEDSA-N
-rxn:4:187955:222891,COc1cc(-c2ccccc2C=C2Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc(C2CCNCC2)n1,JDMKQARLBQPNKB-UHFFFAOYSA-N
-rxn:4:187961:222639,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cc1)CC(C)(C)CC2=O,NOFCQCKSLBGLKF-FQEVSTJZSA-N
-rxn:4:187961:222867,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc1)CC(C)(C)CC2=O,JLUILSOGLZPYAI-UHFFFAOYSA-N
-rxn:4:187963:224497,CCN1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(C)c3ccc(OC)c(OC)c3)C(=O)CO4)cc2)CC1,OOAWKCXYCKWJBB-UHFFFAOYSA-N
-rxn:4:187968:222635,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)ccc21,FPABRKUNFWZILG-QHCPKHFHSA-N
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-rxn:4:188989:223562,COC(=O)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)nc1OC,HJKBAABPFJEGRR-UHFFFAOYSA-N
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-rxn:4:189505:222524,O=S(=O)(c1cc(C(F)(F)F)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1)N1CCC1,JQVVTQNULOHAMO-UHFFFAOYSA-N
-rxn:4:189731:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(C(=O)N4CCCC4)cc(C(F)(F)F)c3)c2)CC1,CXDPEHHTZKVQCB-UHFFFAOYSA-N
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-rxn:4:189965:225369,CCN1C(=O)C(=Cc2cc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3Cl)ccc2OC)SC1=S,VZGJDKAHICDFLW-UHFFFAOYSA-N
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-rxn:4:190332:222440,CC(C)(C(=O)N1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2C(F)(F)F)cc1,WMAANIHIAXUKGG-UHFFFAOYSA-N
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-rxn:4:190433:224810,Cc1cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,IBYVRMDGWOUEEQ-UHFFFAOYSA-N
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-rxn:4:190484:224420,Cc1cc2c(cc1-c1cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c1)C(C)(C)CCC2(C)C,MSNYPTHUZUFXQN-UHFFFAOYSA-N
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-rxn:4:191124:226294,COc1cc(OC(C)C)ccc1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,RPTXXPCNVBJDFE-UHFFFAOYSA-N
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-rxn:4:191127:223864,CC(C)c1cc(OCc2ccccc2)ccc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,KSMKACNUQPYPTB-UHFFFAOYSA-N
-rxn:4:191129:227567,COc1cc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc(Cl)c1OC,PAQGNBWEQRHDRO-UHFFFAOYSA-N
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-rxn:4:191195:229203,CCc1ccsc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,ZPVZVCHJFRLDHQ-UHFFFAOYSA-N
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-rxn:4:193503:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(C)(=O)=O)c(C2=NOCC2)c1C,CEHRYWKKSYMXIL-UHFFFAOYSA-N
-rxn:4:193503:222698,Cc1c(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,KMBXXDNQXYPCMQ-UHFFFAOYSA-N
-rxn:4:193503:224246,Cc1c(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,BWSYWFFVGBQXBY-UHFFFAOYSA-N
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-rxn:4:193623:222442,O=S(=O)(NC1CCCC1)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(F)cc2F)c2ccccc12,PYWZDKCSTBWDEY-UHFFFAOYSA-N
-rxn:4:193693:222724,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,DTLPZAGRMOFTPI-UHFFFAOYSA-N
-rxn:4:193775:223768,CC(C)(C)OC(=O)n1cc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)c2ccc(C#N)cc21,FWJWCVSVLXAVON-UHFFFAOYSA-N
-rxn:4:193793:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(CN2CCCCC2C)c1,SBEJNUKLTQMDIS-UHFFFAOYSA-N
-rxn:4:193807:222598,Cc1cc(-c2c(Cl)cccc2CN2CCC(C)CC2)cc(C)c1S(=O)(=O)NC1CCCC1,JPRDEFMUVXATMN-UHFFFAOYSA-N
-rxn:4:193832:224407,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1,GIBRDFNUICYTPR-UHFFFAOYSA-N
-rxn:4:193843:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C,NLYWGUSPZSSQLG-UHFFFAOYSA-N
-rxn:4:193845:222724,CS(=O)(=O)N1CCC(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,CCGLFCCVWCPLNQ-UHFFFAOYSA-N
-rxn:4:193857:224409,CC(c1cccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)c1)N1CCC(F)(F)CC1,AWGIYWMGSORIJX-UHFFFAOYSA-N
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-rxn:4:193970:224950,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c(CN2CCCC2)c1,CQHJYXQHGUKISW-UHFFFAOYSA-N
-rxn:4:193976:224195,CCN1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)ccc2Cl)CC1,TWGIBXJIAJPMCL-UHFFFAOYSA-N
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-rxn:4:194421:223985,COc1ccc(-c2cccc(C(=O)N3CC4CC3CS4)c2)cc1S(=O)(=O)N1CCCCC1,JYKMXBKJAFJKTO-UHFFFAOYSA-N
-rxn:4:194456:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)ccc2C)CC1,PRVANZOFBXWIFE-UHFFFAOYSA-N
-rxn:4:194456:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)cc2)CC1,FPVLVKQUXPTILD-UHFFFAOYSA-N
-rxn:4:194572:222538,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,WLAXBXCDLIWHQI-UHFFFAOYSA-N
-rxn:4:194731:224621,COC1CCN(C2CCc3ccc(-c4ccc(OCCN5CCSCC5)cc4)cc32)CC1,CCHVQNGHARZNRO-UHFFFAOYSA-N
-rxn:4:194734:224460,CC1(C)OCC(c2ccc3cc(-c4cc(C5CC5)cc(N5CCCCC5)c4)ccc3c2)([N+](=O)[O-])CO1,UHPYDXBUUQJBDB-UHFFFAOYSA-N
-rxn:4:194751:225086,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccc(OCCCN(C)C)c(Cl)c3)ccc21,WEUIBONKQVGYEF-UHFFFAOYSA-N
-rxn:4:194768:224182,COC1CCN(C2CCCc3cc(-c4ccc(OCCN5CCOCC5)c(C)c4)ccc32)CC1,RSCDPCVIMGTOQC-UHFFFAOYSA-N
-rxn:4:194768:224767,COC1CCN(C2CCCc3cc(-c4cccc(C(=O)N5CCOCC5)c4F)ccc32)CC1,NECAUNYXHGQNIV-UHFFFAOYSA-N
-rxn:4:194782:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(Cl)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)CC1,CSZZIVKZKUNPRQ-UHFFFAOYSA-N
-rxn:4:194785:225435,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4ccccc4CN4CCCCC4)cc3)CC2)Oc2ccccc21,ODSZZQVJYNUDIZ-UHFFFAOYSA-N
-rxn:4:194800:224743,Cc1cccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4c(F)cc(C(=O)OC(C)(C)C)cc4F)C(=O)C23)c1,RAHHAJWCOLDGAG-UHFFFAOYSA-N
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-rxn:4:197088:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(C(F)F)sc4c3)c(F)c2)CC1,DWIDIDRXRXNALO-UHFFFAOYSA-N
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-rxn:4:197963:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CN([C@H]2CC[C@H](C)CC2)C3=O)c1,DYTLZMAIQIWRFD-PGWJBFNOSA-N
-rxn:4:197966:224022,CC1CCN(C2CCc3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)ccc32)CC1,BXIPFMWPPKGDHD-UHFFFAOYSA-N
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-rxn:4:204528:223535,COC(=O)C1SCC2C(=O)N(c3ccccc3-c3ccc(S(=O)(=O)N(C)Cc4ccc(OC)cc4)c(F)c3)C(=S)N21,DRPOCCWFZFSUSR-UHFFFAOYSA-N
-rxn:4:204528:226016,COC(=O)C1SCC2C(=O)N(c3ccccc3-c3ccc(OCC(F)(F)F)cc3Cl)C(=S)N21,IBVSWMSYCIJDFH-UHFFFAOYSA-N
-rxn:4:204584:223838,CN(CC1COCCO1)c1nc2ccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cc2s1,JTGUYCOMPPHVIF-UHFFFAOYSA-N
-rxn:4:204607:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc2ccn(CC(=O)N3CCC(=O)CC3)c2c1,WSQJZAKDGMWLOS-UHFFFAOYSA-N
-rxn:4:204609:223650,COC(=O)c1nn(C2CCCCO2)c2cccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)c12,BONPAVJLUIOHBY-UHFFFAOYSA-N
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-rxn:4:204683:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c1,LAOFONLFDUQXIC-UHFFFAOYSA-N
-rxn:4:204695:224621,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccc(OCCN3CCSCC3)cc2)c1,BTOCARFZKTVMDM-UHFFFAOYSA-N
-rxn:4:204697:228868,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccc(C(=O)OC)s2)cc1,KWKXXZGTPDLKPK-UHFFFAOYSA-N
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-rxn:4:204780:226490,COCCOc1ccc(F)c(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,XFVRUYANZHTMHY-UHFFFAOYSA-N
-rxn:4:204780:227268,CCOCc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,LNNNUMHWZXQHMU-UHFFFAOYSA-N
-rxn:4:204787:225470,CC1CCN(c2ccc(-c3ccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccccc54)cc3)cc2)CC1,KMIMKPBXCHTCRC-UHFFFAOYSA-N
-rxn:4:204794:224834,CN(C)S(=O)(=O)n1cc(-c2ccc3oc(=O)c(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3c2)c(C(F)(F)F)n1,BBIQMJKWCGJLEJ-UHFFFAOYSA-N
-rxn:4:204799:226340,N#Cc1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)c(Cl)c(C2CC2)c1,LCJCHNHUMJSYEN-UHFFFAOYSA-N
-rxn:4:204804:225777,N#Cc1ccccc1-n1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cn1,DUCUIQQBRWRCEW-UHFFFAOYSA-N
-rxn:4:204829:223106,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1-c1cnc(N2CCC(O)C2)nc1Cl,GSFSJLCLGPNBTP-UHFFFAOYSA-N
-rxn:4:204829:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccccc54)cc3C)cc2C)c1,NEJJNOJIXVCVJC-UHFFFAOYSA-N
-rxn:4:204869:222826,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,LMWCSWFYXVZZFY-UHFFFAOYSA-N
-rxn:4:204870:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1C,VAUWSWUCNKXODY-UHFFFAOYSA-N
-rxn:4:204915:224764,CCC1Oc2c(OC)cc(-c3ccc(C(=O)N4CCOCC4)cc3F)cc2C2CC(c3ccc(Cl)cc3)=NN12,CETBYVVPEQGRIZ-UHFFFAOYSA-N
-rxn:4:206167:223712,COc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)cc1C12CC3CC(CC(C3)C1)C2,XLHYXXKFAICULQ-UHFFFAOYSA-N
-rxn:4:206253:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccnc3C(=O)N3CCC(F)(F)C3)cn2)CC1,IOVKXAIYZOGGMJ-UHFFFAOYSA-N
-rxn:4:206441:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(C(=O)N4CCOCC4)ccc3F)ccn2)CC1,DWMMCBKWBMYJJI-UHFFFAOYSA-N
-rxn:4:206445:223911,CCOC(=O)C1(c2ccc(-c3cc(Cl)cnc3C(=O)N3CCOCC3)cc2)CCOCC1,JDMDESGCOXJDMF-UHFFFAOYSA-N
-rxn:4:206622:224061,CCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(F)(F)CC4)n3)c(F)c2)CC1,ZGWUOHMOFOGXLU-UHFFFAOYSA-N
-rxn:4:206647:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(N3CCCC(F)(F)C3)c(C#N)c2)c1,HJDLYHKIIZNYJK-UHFFFAOYSA-N
-rxn:4:206670:223598,COc1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)n1C1CCCCC1,NOOMVTMEBJYQQQ-UHFFFAOYSA-N
-rxn:4:206682:222465,Fc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)nc1CN1CCCCC1,DPMLSJAJVZADHX-UHFFFAOYSA-N
-rxn:4:206694:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C4CCCN4S(C)(=O)=O)n3)c(F)ccc21,LYMIRQOIGORUNA-UHFFFAOYSA-N
-rxn:4:206751:224821,O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)c(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1,LBWJXYSYRMYJOX-UHFFFAOYSA-N
-rxn:4:206797:222723,CS(=O)(=O)N1CCOC(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,IJAVZDWGMTWKLL-UHFFFAOYSA-N
-rxn:4:206919:223712,COc1ccc(-c2ccc(Cl)cc2CN2CCN(C)CC2)cc1C12CC3CC(CC(C3)C1)C2,BKXYKBWCQZCEJM-UHFFFAOYSA-N
-rxn:4:206957:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cncc(S(=O)(=O)N2CCC(C)CC2)c1,URTJEXNFODWSRA-UHFFFAOYSA-N
-rxn:4:206962:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN(S(C)(=O)=O)C2)nc1,ZWFJHZWXIMJHCS-UHFFFAOYSA-N
-rxn:4:206962:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C4CCCN(S(C)(=O)=O)C4)nc3)c2)CC1,DCJHFRJTQVIFJL-UHFFFAOYSA-N
-rxn:4:206981:223993,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C)c2)ccc1S(=O)(=O)N1CCN(C)CC1,LDTQRCJQGWGYEL-UHFFFAOYSA-N
-rxn:4:207026:222902,COC(=O)CNC(=O)c1cccc(-c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)c1,GNEZOUOIOLBLBM-UHFFFAOYSA-N
-rxn:4:207028:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(C4CCCN(C(C)C)C4)n3)c2)CC1,KLGPOOFAINZWDU-UHFFFAOYSA-N
-rxn:4:207062:224817,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1S(=O)(=O)N1CCOCC1,VDTGAARYRVFBHR-UHFFFAOYSA-N
-rxn:4:207092:225926,CC1(C)COC(c2ccc(C3=NC(C)(C)CO3)c(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)=N1,KROIUAYUDFQVIC-UHFFFAOYSA-N
-rxn:4:207732:223840,COc1ccc(-c2cc(C)ccc2N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)cc1S(=O)(=O)N1CCN(C)CC1,NTZZUJMPCNETHT-UHFFFAOYSA-N
-rxn:4:207786:224267,NS(=O)(=O)c1ccc(N2Cc3cc(-c4cccc(N5CCC6(CC5)OCCO6)c4)ccc3OCC2=O)cc1,BCGUNFAJEBNEER-UHFFFAOYSA-N
-rxn:4:207813:224329,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)c3ccccc23)CC1,QEBKJAVVZJKPOB-UHFFFAOYSA-N
-rxn:4:207815:224958,Cc1cc2c(c(C)nn2C2CCCCO2)c(-c2cccc(OCC3CCCCO3)c2)c1C(F)(F)F,FSAJHENHUNATGG-UHFFFAOYSA-N
-rxn:4:207832:224100,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccccc4OCCN4CCC(C)CC4)cc3)C2=O)c2ccccc21,RGCSWXCGKNLEHD-UHFFFAOYSA-N
-rxn:4:207843:222857,CCN1CCN(C2CCCc3cc(-c4cc(OC)cc(C5CCNCC5)c4)ccc32)CC1,HGJNGIWYTAHJOA-UHFFFAOYSA-N
-rxn:4:207946:223748,COc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,ZCXRHRGJSFWKHM-UHFFFAOYSA-N
-rxn:4:207946:226783,COc1cc(-c2c(OC)cc(F)c(F)c2OC)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,HNRMWCXCQRPIAB-UHFFFAOYSA-N
-rxn:4:207965:224656,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC)c(OC5CCCC5)c4F)ccc2OC32CCC(C)CC2)cc1,BFIYGLBRFSDCAJ-UHFFFAOYSA-N
-rxn:4:207965:226294,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC(C)C)cc4OC)ccc2OC32CCC(C)CC2)cc1,CPJCNIOJGBFYCQ-UHFFFAOYSA-N
-rxn:4:207965:227091,COc1ccc(C2=NN3C(C2)c2cc(-c4cncc(C5CCCC5)c4)ccc2OC32CCC(C)CC2)cc1,MPJDQYDBGOJLNM-UHFFFAOYSA-N
-rxn:4:208461:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(N)(=O)=O)c(F)n3)c(F)c2)CC1,JUZVDHVINZHPRA-UHFFFAOYSA-N
-rxn:4:208875:223505,Cc1c(S(N)(=O)=O)cnc(Cl)c1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,SSKAFHVZYMJPJX-UHFFFAOYSA-N
-rxn:4:209860:222439,CN1CCN(c2ccccc2-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)CC1,QEMWXZIXBLYHHY-UHFFFAOYSA-N
-rxn:4:210689:222466,Cn1ncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1C12CCCOC1O2,PWBSBLLFLJJXQN-UHFFFAOYSA-N
-rxn:4:210690:223812,Cn1ncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1C12COCCC1O2,QOGOHEJXNZWCOX-UHFFFAOYSA-N
-rxn:4:211061:228802,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3ccccc3C(F)F)ccc21,DKYRGBKAKCCTJU-UHFFFAOYSA-N
-rxn:4:211089:222777,N#CC1=C2CCCCCN2c2cc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)ccc2S1(=O)=O,OOELJCNNEQBEKR-UHFFFAOYSA-N
-rxn:4:211089:224153,N#CC1=C2CCCCCN2c2cc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)ccc2S1(=O)=O,GFSULCPYQZWVNW-UHFFFAOYSA-N
-rxn:4:212532:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cnn(CC4CN(C(=O)c5cccc(OC(F)(F)F)c5)C4)c3)cnc21,SFMRRMZGRKZQQB-UHFFFAOYSA-N
-rxn:4:212555:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)COc4ccc(F)cc4)C3)nc2)cc1,XXHCUASNWSHURW-UHFFFAOYSA-N
-rxn:4:212581:225818,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(-c3ccc(C(F)(F)F)cc3C3CC3)cc2)cc1,XBUXAVBFLGQGTI-UHFFFAOYSA-N
-rxn:4:212587:224462,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)cc1,AHEKRIZEXPJTCH-UHFFFAOYSA-N
-rxn:4:212606:222681,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cccc(CNC(=O)OC(C)(C)C)c3F)cn2)C1,ZATNBRANROUART-UHFFFAOYSA-N
-rxn:4:212606:224759,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,WXEWGDJWLLVINR-UHFFFAOYSA-N
-rxn:4:212607:222903,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCOC)cc3Cl)cn2)CC1,MGLUBDLQJSFDFD-UHFFFAOYSA-N
-rxn:4:212621:225295,O=C(Cc1ccc(F)cc1)N1CCC(COc2ncc(-c3ccccc3S(=O)(=O)N3CCCC3)cn2)CC1,XBGBFTRVBLTWNR-UHFFFAOYSA-N
-rxn:4:212630:222740,CC(C)c1cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)cc(C2CCCNC2)n1,WKPJRQKJORJNQA-UHFFFAOYSA-N
-rxn:4:212637:226468,CN1C(=O)COc2c(-c3ccc(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)C4)cn3)cccc21,JMOKXWBMAPGOOW-UHFFFAOYSA-N
-rxn:4:212639:222841,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccc(C(=O)NC4CCCC4)cc3)c2)CC1,MVXWQBJHGXVXKD-UHFFFAOYSA-N
-rxn:4:212650:225984,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,LKPZVLQQRDWZNU-UHFFFAOYSA-N
-rxn:4:212704:224809,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1,FGLMVAOWYPJOMC-UHFFFAOYSA-N
-rxn:4:212722:226844,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C(=O)N2CCN(C)CC2)cc1,MGWQDPUBBSHATF-UHFFFAOYSA-N
-rxn:4:212771:223687,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2s1,HFZYPAGUXCIKIE-UHFFFAOYSA-N
-rxn:4:212786:224308,COCCn1c(=NC(=O)c2cccc(-c3cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c3)c2)sc2cc(S(N)(=O)=O)ccc21,GHJANSSDKNAZIO-UHFFFAOYSA-N
-rxn:4:212839:228232,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(Cl)c(C5CC5)c4)ccn23)CC1,KKTODEGQWZGFBQ-UHFFFAOYSA-N
-rxn:4:212878:223569,COC(=O)c1nnn(-c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2F)c1C(=O)OC,FWESXKQOKQDHRT-UHFFFAOYSA-N
-rxn:4:212908:224662,CCOC(=O)N1CCCC(Oc2ncc(-c3cc(F)ccc3CN3CCN(C)CC3)cn2)C1,TUVLJYIIUNNQIF-UHFFFAOYSA-N
-rxn:4:212936:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(N3CCN(CCOC(C)=O)CC3)nc2)c1,WQZFLGCFHMCNDN-UHFFFAOYSA-N
-rxn:4:212938:222584,CCC(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,QVUKRTRDOLOTTP-UHFFFAOYSA-N
-rxn:4:212943:225379,CCOC(=O)N1CCN(c2ncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C(F)(F)F)CC1,DLVQRHJGBWSDEL-UHFFFAOYSA-N
-rxn:4:212950:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnccc2OC2CCN(C(=O)c3cccc(C#N)c3)C2)CC1,YDRKVRRKPBRBAS-UHFFFAOYSA-N
-rxn:4:213038:225898,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnn(CCN4CCOCC4)c3)c[nH]2)CC1,DUKDPKOOXPCRKY-UHFFFAOYSA-N
-rxn:4:213038:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)c[nH]2)CC1,IJMSEFAUUHFUQH-UHFFFAOYSA-N
-rxn:4:213044:226844,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CC1,ARDWZLGTQRXIHD-UHFFFAOYSA-N
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-rxn:4:213065:225001,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3ccc(CN4CCCC(F)C4)cc3)cn2)C1,MQYUAFAMEXLSSW-UHFFFAOYSA-N
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-rxn:4:213114:222915,O=C(NC1=NCCS1)c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)Cc4ccc(F)cc4)C3)nc2)cc1,ZTGMSPFGQOYIAA-UHFFFAOYSA-N
-rxn:4:213127:223109,CC(NC1CC1)c1ccc(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,WNKGAUNWOYXLGG-UHFFFAOYSA-N
-rxn:4:213135:222826,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)CC1,VVJILIIHLNWGJT-UHFFFAOYSA-N
-rxn:4:213135:225875,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,IBHCMGJMANCIBX-UHFFFAOYSA-N
-rxn:4:213138:225616,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3C(=O)N3CCCC3)cnc2F)CC1,TZZIPCHEXTUPOZ-UHFFFAOYSA-N
-rxn:4:213176:222546,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,DSBRADZMBUZHCL-UHFFFAOYSA-N
-rxn:4:213180:222546,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)c(C)o1,FKBDODXMSFSWDW-UHFFFAOYSA-N
-rxn:4:213184:224961,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)CC2)nc1,OVNSZLUCWSHERN-UHFFFAOYSA-N
-rxn:4:213216:226764,COC(=O)c1c(F)ccc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1F,ZVRHMVFUDMSQCY-UHFFFAOYSA-N
-rxn:4:213216:227759,COc1c(F)cc(F)c(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1F,QOZKEFDONRKRHV-UHFFFAOYSA-N
-rxn:4:213216:228194,Cc1nn(C(C)C)c(C)c1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,QFIGTRAPHHTYDB-UHFFFAOYSA-N
-rxn:4:213217:223126,CCN1CCN(c2ncc(-c3cccc(NC(=O)C4CC4)c3)cc2C(=O)OC(C)(C)C)CC1,LBRBKCGJROCYTB-UHFFFAOYSA-N
-rxn:4:213217:224593,CCN1CCN(c2ncc(-c3ccc(F)c(CN4CCC(C)CC4)c3)cc2C(=O)OC(C)(C)C)CC1,USHKBIOYTWUXQF-UHFFFAOYSA-N
-rxn:4:213234:223835,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(OC)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,WIYZEXHGHQGORA-UHFFFAOYSA-N
-rxn:4:213252:222842,COc1ccc(-c2cccc(C(=O)NC3CCCC3)c2)c(C(=O)N2CCC(N(C)c3ccccn3)CC2)c1,JFWOUXUAGAKXGK-UHFFFAOYSA-N
-rxn:4:213265:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,GVRAYLBPJDHTQV-UHFFFAOYSA-N
-rxn:4:213268:222635,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cccc([C@H](C)NC(=O)OC(C)(C)C)c4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,CFTCXKLAJOQMHB-IZVMNLJQSA-N
-rxn:4:213268:223107,COc1ncc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1NS(C)(=O)=O,XIEPHHSICKXTMN-AOMKIAJQSA-N
-rxn:4:213274:224254,CC1CCCN(C(=O)c2cc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCOC(c6ccccc6)C5)n4)cc3)ccc2F)C1,DYKWENFFQMLZFG-UHFFFAOYSA-N
-rxn:4:213281:222723,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3-c3cccc(NS(=O)(=O)N4CCOCC4)c3)CC2)CC1,HYGOPZMRRLPTQT-UHFFFAOYSA-N
-rxn:4:213349:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)cc1F,XGQLYZOQGOJWFO-UHFFFAOYSA-N
-rxn:4:213361:223536,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,LDOVLWYMALDHTF-UHFFFAOYSA-N
-rxn:4:213451:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc4c(c3)C(=C3SC(=Nc5ccc(CC)cc5)N(c5ccc(CC)cc5)C3=O)C(=O)N4CC)c2)C1,HZMIHFNAQUTYOS-UHFFFAOYSA-N
-rxn:4:213474:224974,CN1CCN(Cc2ccccc2-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)CC1,DXVVEIALPXNWEB-UMSFTDKQSA-N
-rxn:4:213475:229148,COc1cc(-c2cnn(CCF)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,KEMWYGWLRUNSCZ-ANCXTDGSSA-N
-rxn:4:213480:222607,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,NCROVVOPQXEJIH-RDPIHECBSA-N
-rxn:4:213480:225004,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCC(=O)CC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CREIWHJSRYUEHH-XLKWLEGVSA-N
-rxn:4:213480:225128,COC(=O)C1(c2ccc(F)c(-c3cncc(C(=O)OC[C@H]4CN(C)[C@@H]5Cc6c[nH]c7cccc(c67)[C@@]5(OC)C4)c3)c2)CC1,SLZYOCJKACTCLQ-KFARLQHASA-N
-rxn:4:213480:225975,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccnc(N5CCOCC5)c4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,NRBVPMTVSMWFRJ-NFHREUMDSA-N
-rxn:4:213480:226326,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C5(C#N)CC5)c4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JCSMDJCEIXNBRZ-DRBDVQELSA-N
-rxn:4:213480:226423,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(N5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RWDPXZUQNBMGLB-CPPXEKLYSA-N
-rxn:4:213480:226578,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N(C)C)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JMPXTKAGVWXNTC-FGWXRDQWSA-N
-rxn:4:213481:223060,COC12CC(COC(=O)c3cncc(-c4cc(Cl)nc(C5CCNCC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,LKWMGBFSEXEBRP-UHFFFAOYSA-N
-rxn:4:213481:225367,COC12CC(COC(=O)c3cncc(-c4cnc(N5CCC(F)(F)CC5)nc4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,LMHDOJOZAXZOAV-UHFFFAOYSA-N
-rxn:4:213626:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)c1,KBIZWLVLQFNLKW-UHFFFAOYSA-N
-rxn:4:213653:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,YOKYRSSREAXKIE-UHFFFAOYSA-N
-rxn:4:213653:225430,CCCCOc1cc(C)c(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c(C)c1,VKOCDINCVNEOHV-UHFFFAOYSA-N
-rxn:4:213653:225889,C[Si](C)(C)CCOCn1nccc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,WCGUYLWVFMKBPA-UHFFFAOYSA-N
-rxn:4:213653:226235,CCCCOc1ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c(C)n1,ZMDGOILXTCLVOS-UHFFFAOYSA-N
-rxn:4:213653:226330,CC(c1ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)s1)N1CCCC1,KAYYWYKAHIJBGR-UHFFFAOYSA-N
-rxn:4:213653:226509,CC(C)COc1ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c(F)n1,VAAPZJPQYHYXEM-UHFFFAOYSA-N
-rxn:4:213672:222886,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(N3CCNCC3)cc2C#N)CC1,NBMAFGTUOHOIEI-UHFFFAOYSA-N
-rxn:4:213692:225423,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccc(CCCCN(C)C)cc2)cn1,HGPDLEPZCKQKSW-UHFFFAOYSA-N
-rxn:4:213718:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnn(CC2CN(CC3COCCO3)C2)c1,UWMATIQXYHGEER-UHFFFAOYSA-N
-rxn:4:213722:224634,COc1ccc(-c2cnc(OC3CCN(CC4CC4)CC3)nc2)cc1CN1CCOCC1,XOQXNHKBSNCBEW-UHFFFAOYSA-N
-rxn:4:213735:222542,Cc1ccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1OCCCN1CCNCC1,YUSXVTSCRNEOAP-UHFFFAOYSA-N
-rxn:4:213737:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ccncn3)C2)cc1,GABWWEPEYXTTKF-UHFFFAOYSA-N
-rxn:4:213758:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cnc(CCC2CCCCN2S(C)(=O)=O)cn1,JMXZIHAEPBSBSS-UHFFFAOYSA-N
-rxn:4:213768:222890,COc1cc(-c2cnc(OCC3CCCN(C4COC4)C3)nc2)cc(C2CCCNC2)n1,QATYEDZDLFLLAJ-UHFFFAOYSA-N
-rxn:4:213768:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnc(OCC2CCCN(C3COC3)C2)nc1,UBNMYLLUTRDXEW-UHFFFAOYSA-N
-rxn:4:213803:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(C4COCCN4C(=O)OC(C)(C)C)nc3)c2)CC1,QSFXBODLSKSKJC-UHFFFAOYSA-N
-rxn:4:213828:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)CC1,KPZPZELVEJHEKD-UHFFFAOYSA-N
-rxn:4:213832:224371,COC(=O)C1CCN(c2ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,KKIYWPXICCVYDI-UHFFFAOYSA-N
-rxn:4:213844:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)n2)cc1,WBOALYJFFWVQDF-UHFFFAOYSA-N
-rxn:4:213899:224078,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cccc2c1ccn2[Si](C)(C)C(C)(C)C,ZDADLILPNVPLBB-UHFFFAOYSA-N
-rxn:4:213907:222693,Cc1csc(CN2CCN(C(=O)c3cccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)c3)CC2)n1,CAJURMZKLWDNMZ-UHFFFAOYSA-N
-rxn:4:213908:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(c5nnc(C(C)C)o5)CC4)o3)cc2)CC1,RMSSAYJFGDLWCY-UHFFFAOYSA-N
-rxn:4:213921:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2[N+](=O)[O-])c(F)c1,PKXVSPNTXDNBQG-UHFFFAOYSA-N
-rxn:4:213929:222584,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)C2)n1,VKJOBNPANQFINU-UHFFFAOYSA-N
-rxn:4:213932:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)cc2F)CC1,HVQRHEKUARXQBF-UHFFFAOYSA-N
-rxn:4:213932:224590,CC1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)c(F)c2)CC1,UKMGXQZDMGOREW-UHFFFAOYSA-N
-rxn:4:213972:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,IIHXGKLGNOWKIP-UHFFFAOYSA-N
-rxn:4:213992:225911,COC(=O)c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)c(Cl)cc1OC,GAFNJXZIXJQRRL-UHFFFAOYSA-N
-rxn:4:214003:226730,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3cnc(OC4CCC4)nc3Cl)CC2)CC1=O,FPDBASDMSFQBOK-UHFFFAOYSA-N
-rxn:4:214010:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccccc2C(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1,NYACLUGQTNADFP-UHFFFAOYSA-N
-rxn:4:214012:222730,CCCc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)n1,LEYBUFBGSJHSGC-UHFFFAOYSA-N
-rxn:4:214033:227241,CCOc1ccc(OC)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,AJKBUCKHQLTLSP-DHIUTWEWSA-N
-rxn:4:214038:224592,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)cc1C,HUNWWIFUOMUEFN-UHFFFAOYSA-N
-rxn:4:214095:223748,CCOC(=O)c1nc2c(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc(C(F)(F)F)cn2n1,GRXQTNWNVRYSGM-UHFFFAOYSA-N
-rxn:4:214132:223539,CCOC(=O)c1nc2c(-c3ccccc3)nccn2c1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,QFZGKLJYBRKKGE-UHFFFAOYSA-N
-rxn:4:214153:225313,CN1CCN(c2ccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)c(F)n2)CC1,VOXSLUQRQLSXPP-OAHLLOKOSA-N
-rxn:4:214153:225438,CC(c1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc1)N1CCCC1,ICDYOWZRYLOCRO-UUSAFJCLSA-N
-rxn:4:214203:224746,CC(=O)N1CCN(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(S(C)(=O)=O)CC4)c3)cn2)CC1,ZWXFLKKKXVGBPD-UHFFFAOYSA-N
-rxn:4:214221:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]c3c2)cc1,PUBZQYDSBOKMHR-QHCPKHFHSA-N
-rxn:4:214292:226742,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2[nH]1,ODCDTFQPBQORBG-JKSBSHDWSA-N
-rxn:4:214379:226484,COCCOc1cc(Cl)ccc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)o1,BVRVBJGLCPQJML-UHFFFAOYSA-N
-rxn:4:214379:227158,Cc1c2c(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc6c7c(c5)CCN7C(=O)CC6)CC4)o3)cccc2nn1C,XFDKKYPURAOORG-UHFFFAOYSA-N
-rxn:4:214384:223106,O=C(N1CCCC(Oc2ncc(-c3cnc(N4CCC(O)C4)nc3Cl)cn2)C1)C12CC3CC(CC(C3)C1)C2,ZDPIVVBJKLZZLJ-UHFFFAOYSA-N
-rxn:4:214389:225159,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc12,CQATVCBSSMGRRF-UHFFFAOYSA-N
-rxn:4:214480:224247,CC1CCN(C(=O)c2ccc(-c3cnc(C(=O)ON4C(=O)CCC4=O)cn3)c(F)c2)CC1,FHUYMXZMECBYIW-UHFFFAOYSA-N
-rxn:4:214585:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ncccc1CN1CC(S(N)(=O)=O)C1,BBNIMLCTZKQIBT-UHFFFAOYSA-N
-rxn:4:214585:223897,Cc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1OCCCN1CCOCC1,SPBKIEDIHFDNKL-UHFFFAOYSA-N
-rxn:4:214676:223659,CN1CCN(C(=O)Cc2cncc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,ZZEUTKJCIVNNQI-UHFFFAOYSA-N
-rxn:4:214705:224572,CC1CCCN(c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)c(C#N)c2)C1,OSOKXANJXLRDPO-UHFFFAOYSA-N
-rxn:4:214711:224460,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)cn2)CC1,IOJNLLAAQKDRNW-UHFFFAOYSA-N
-rxn:4:214716:224011,CCN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)c(F)cc2[N+](=O)[O-])CC1,BAWYPWBRRXXLMJ-UHFFFAOYSA-N
-rxn:4:214781:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1,XMJLQDMXJKUQCQ-UHFFFAOYSA-N
-rxn:4:214787:223972,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccn4)C(=O)C3)cc2)c(C(F)(F)F)c1,FKMCYMYVEWJXKZ-UHFFFAOYSA-N
-rxn:4:214802:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCC2)C1,TWYSIMXUVIHSBA-UHFFFAOYSA-N
-rxn:4:214818:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)cc2)cc1,NCSLJCRAYYYJTH-UHFFFAOYSA-N
-rxn:4:214820:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c2Cl)CC1,FZUDYIWBQBTZRV-UHFFFAOYSA-N
-rxn:4:214820:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,YDVXYGOGWGEKHA-UHFFFAOYSA-N
-rxn:4:214839:225424,CCCCCC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,PQVZDLHEHDIJGU-UHFFFAOYSA-N
-rxn:4:214839:227275,CCCOc1c(F)cccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,YQAUTWBKDMJPHR-UHFFFAOYSA-N
-rxn:4:214862:226236,CCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,VUZHFFJEPNYLLW-UHFFFAOYSA-N
-rxn:4:214870:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,WYNRBTGKXHWKSE-UHFFFAOYSA-N
-rxn:4:214870:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,BNJYKGRNPLNZGN-UHFFFAOYSA-N
-rxn:4:214871:226232,CN(C)CCOc1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,VSTORUZLSIKMGA-UHFFFAOYSA-N
-rxn:4:214872:222440,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(S(=O)(=O)NCc3ccco3)cc2C(F)(F)F)CCO1)N1CCCCC1,VXLVVPHYURJLQR-UHFFFAOYSA-N
-rxn:4:214873:225252,CCOC(=O)c1cn2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)ccc2n1,AQOUNTDZSQRAED-UHFFFAOYSA-N
-rxn:4:214874:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c1,IMXSPNNVJLVAAX-UHFFFAOYSA-N
-rxn:4:214875:226554,CCCOc1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cc1F,NUBFUYORHKPUQN-UHFFFAOYSA-N
-rxn:4:214886:226981,CCCCCCc1ccsc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,SJCQGTOFDWWVOX-UHFFFAOYSA-N
-rxn:4:214890:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2F)CC1,LJZHIOGXVMAERB-UHFFFAOYSA-N
-rxn:4:215103:224930,CCN(CC)Cc1cc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)ccc1OC,VLXFOAXNDKDCFF-UHFFFAOYSA-N
-rxn:4:215106:222908,Cc1nn2c(c1-c1cncc(NC(=O)OC(C)(C)C)c1)CN(C(=O)OC(C)(C)C)CC2,ARKMJPFIRLFRNL-UHFFFAOYSA-N
-rxn:4:215170:227249,CCCOc1ccc(Cl)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,ZYNDJINJIKXOCQ-UHFFFAOYSA-N
-rxn:4:215184:222684,O=S(=O)(c1ccccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1)N1C2CCC1CC(n1cccn1)C2,SADWXQCDEYJCPR-UHFFFAOYSA-N
-rxn:4:215197:224336,O=S(=O)(c1ccccc1-c1ccc(N2CCCCC2)cc1C(F)(F)F)N1CCC2CN(c3ccccn3)CC21,XHOGKZXUQSTAES-UHFFFAOYSA-N
-rxn:4:215201:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)c1,DJPHSVSXKSMSEU-UHFFFAOYSA-N
-rxn:4:215439:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(N(C)C(C)=O)nc1,XKSWTBKZXKDNOF-UHFFFAOYSA-N
-rxn:4:215800:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(N2CCC(C(F)(F)F)CC2)n1,KICAAYQFJIPPMP-UHFFFAOYSA-N
-rxn:4:215803:222826,O=[N+]([O-])c1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cnc1N1CCC(F)(F)CC1,PXCLTHQPECILSE-UHFFFAOYSA-N
-rxn:4:215862:224325,CN1CCN(C(=O)c2cc(Cl)ncc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,GWUORHIIPZWWFB-UHFFFAOYSA-N
-rxn:4:215868:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(C(=O)N4CCN(C)CC4)c(F)c3)cc2)CC1,DBIIMEXMBNMLDD-UHFFFAOYSA-N
-rxn:4:215868:224325,CN1CCN(C(=O)c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2F)CC1,UUDJYKXMIFZPNN-UHFFFAOYSA-N
-rxn:4:215906:222604,COc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)NC1CCCC1,AGMPCDCPSBOANK-UHFFFAOYSA-N
-rxn:4:215908:224404,CS(=O)(=O)N1CCN(c2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c2)CC1,VYQIYSHXXKTWBC-UHFFFAOYSA-N
-rxn:4:215914:223993,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)ccc1S(=O)(=O)N1CCN(C)CC1,CBQLYRHEBCFCDQ-UHFFFAOYSA-N
-rxn:4:215986:223998,CC1CCN(c2cc(C(C)(C)C)nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)n2)CC1,ISZIVMDDNYPUBL-UHFFFAOYSA-N
-rxn:4:216266:223844,Cc1nc2ccccc2n1C1CC(=O)N(c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)C1=O,LBSYBVGYJWSSHU-UHFFFAOYSA-N
-rxn:4:216319:224810,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(N5CCCC5)c(C(F)(F)F)c4)ccc3S2(=O)=O)n1,LLKBMNXNPCIJRV-UHFFFAOYSA-N
-rxn:4:216319:225367,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(N5CCC(F)(F)CC5)nc4)ccc3S2(=O)=O)n1,NOLUETLOTQVQSP-UHFFFAOYSA-N
-rxn:4:217905:222987,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCNCC5)nc4C)ccc2OC32CCN(C)CC2)o1,CLOUZIVFDLFCHN-UHFFFAOYSA-N
-rxn:4:217907:223150,CN(C)CCNc1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)ccn1,OGJQSQNPXNQZDQ-UHFFFAOYSA-N
-rxn:4:218568:223534,CC(C)Oc1ccc(C(=O)N2CC(Cn3cc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cn3)C2)cn1,YWBNCWBHNWJRRW-UHFFFAOYSA-N
-rxn:4:218588:223084,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3)cn2)CC1,IZWZLAPRGSFZKE-UHFFFAOYSA-N
-rxn:4:218621:227780,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3c(F)ccc([N+](=O)[O-])c3F)cn2)C1,YBJVOARYDQFUTR-UHFFFAOYSA-N
-rxn:4:218640:224283,CC(C)c1ocnc1CN1CCCC(COc2ncc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)cn2)C1,VIFILCIZPQNGGH-UHFFFAOYSA-N
-rxn:4:218644:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(OCc4nc(C#N)c(N5CCN(c6ccccc6)CC5)o4)cc3)c2)C1,SVCFBJZJAQXYCJ-UHFFFAOYSA-N
-rxn:4:218656:224320,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cn2)C1,OLYCYCYDUWOKNQ-UHFFFAOYSA-N
-rxn:4:218663:225977,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)CC2)cc1,AYAMONZIKLHTIC-UHFFFAOYSA-N
-rxn:4:218681:224252,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)N5CCCC(C)C5)c(F)c4)cn3)CC2)CC1,OMMNZJBLHUOBRX-UHFFFAOYSA-N
-rxn:4:218695:223979,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(C(=O)N5CCCCC5)cc([N+](=O)[O-])c4)c3C)CC2)cc1,JCEMGDVUNSBKEP-UHFFFAOYSA-N
-rxn:4:218696:223824,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cc(C(F)(F)F)cnc1OCc1ccccc1,ZZAZUPUPWYBYPP-UHFFFAOYSA-N
-rxn:4:218708:224486,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cccc(C(=O)N(C(C)C)C(C)C)c5)cc4)n[nH]3)CC2)c(OC)c1,HMXWLASYAJPWHH-UHFFFAOYSA-N
-rxn:4:218711:227605,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccnc(-n4cccn4)c3)CC2)CC1,LFVFWFREMDUOLQ-UHFFFAOYSA-N
-rxn:4:218832:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)c5cscn5)C4)nc3)cc2F)CC1,FXGUDCFFDOVXKX-UHFFFAOYSA-N
-rxn:4:218846:226912,Cc1cc(CC(C)C)cc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)c1,ONOFXTDLSQFVLK-UHFFFAOYSA-N
-rxn:4:218867:225597,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCCC4)nc3)c2)no1,QQAODJCODHPDLU-UHFFFAOYSA-N
-rxn:4:218867:225641,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCC(C)C4)c3)c2)no1,VWTYRUFZYGKOIW-UHFFFAOYSA-N
-rxn:4:218868:226661,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2)no1,DJUANZIIZBVSRR-UHFFFAOYSA-N
-rxn:4:218879:222694,O=C(c1ccccn1)N1CCC(COc2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,VZDJYOGUNYDEHL-UHFFFAOYSA-N
-rxn:4:218879:223997,Cc1cc(-c2cnc(OCC3CCN(C(=O)c4ccccn4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,CJIXMTPKEITVAY-UHFFFAOYSA-N
-rxn:4:218892:223958,CCN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(C)nn5)C4)c3)cc2F)CC1,WWHBWMNIUFCRCX-UHFFFAOYSA-N
-rxn:4:218892:224399,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(N5CCOCC5)cc4C(F)(F)F)c3)C2)nn1,NEJGRZDBGSCYIR-UHFFFAOYSA-N
-rxn:4:218944:225979,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2[N+](=O)[O-])CC1,IUIZPALSFWBTGO-UHFFFAOYSA-N
-rxn:4:218944:227681,COC(Cn1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1)OC,LSFGEYIEXCYKSC-UHFFFAOYSA-N
-rxn:4:218945:227445,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(Cl)c(C4CCC4)c3)cncc2[N+](=O)[O-])CC1,ICJDBJLWQGJGFQ-UHFFFAOYSA-N
-rxn:4:218945:227464,CCCCSc1ncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,FIXUMZWMLRIUHP-UHFFFAOYSA-N
-rxn:4:218968:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)ccc2C)CC1,NDXQZKULTZSWKM-UHFFFAOYSA-N
-rxn:4:218971:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c(F)c2)CC1,ZPQVUJXORTXPJW-YOCNBXQISA-N
-rxn:4:218982:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cncc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)c3)ccc21,GAZWUFRUQWCTCT-UHFFFAOYSA-N
-rxn:4:218982:224763,O=C(c1cncc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,KJHLXBPCOAJMQZ-UHFFFAOYSA-N
-rxn:4:218991:223591,Cn1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,GTIJNBVJWPWZFY-UHFFFAOYSA-N
-rxn:4:218993:223671,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)s1,XIOGTRQMOYLOKW-UHFFFAOYSA-N
-rxn:4:219036:223812,Cc1nc(-n2cccc2)sc1C(=O)N1CCC(Oc2ncccc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,JSSNSQDYOLBKCI-UHFFFAOYSA-N
-rxn:4:219040:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cncc(C(=O)N3CCCC(Cc4nc(-c5ccccc5F)no4)C3)c2)c1,QVZQQNGZNKFHNR-UHFFFAOYSA-N
-rxn:4:219044:225172,CC(C)c1nccn1CC1CCN(C(=O)c2cncc(-c3cc(CN4CCOCC4)ccc3F)c2)CC1,PMXPXJUQSUSHNY-UHFFFAOYSA-N
-rxn:4:219051:225572,COC(=O)c1ccc(C2CC2)cc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)CC2)cn1,AWFLBLBIJOYMSF-UHFFFAOYSA-N
-rxn:4:219066:225804,O=C(c1ccc(-c2cnc(OC3CCN(C(=O)C4CC(=O)N(c5ccccc5)C4)CC3)nc2)cc1F)N1CCC1,SWAUOYDYUTZBDA-UHFFFAOYSA-N
-rxn:4:219088:224127,CCCCn1c(=O)c2c(nc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)n2CC(C)=O)n(C)c1=O,JIQNURYPRSOYTC-UHFFFAOYSA-N
-rxn:4:219120:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c(Cl)c2)CC1,FBOXRUVZEBFRIO-UHFFFAOYSA-N
-rxn:4:219120:225805,CC(c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)s1)N1CCOCC1,BPGWTGRSXYDDDA-UHFFFAOYSA-N
-rxn:4:219130:224497,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2)CC1,ZYABEUBFYHBCBP-UHFFFAOYSA-N
-rxn:4:219136:225258,CCOC(=O)COc1cc(Cl)cc(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(OC)cc4)C(=O)C32)c1,GAXRNIFOLDMWGV-UHFFFAOYSA-N
-rxn:4:219142:227789,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4cc(Cl)nc(C(F)(F)F)c4)cc23)CC1,MKJDMHSJTGQMFR-UHFFFAOYSA-N
-rxn:4:219143:223960,CCN1CCN(C(=O)c2cc(-c3ccccc3CC(=O)N(C)C3CN(c4cc5c(nn4)CCC5)C3)ccc2F)CC1,OZOVMBDUSSDVQN-UHFFFAOYSA-N
-rxn:4:219144:224593,CC1CCN(Cc2cc(-c3cnc(OC4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)nc3)ccc2F)CC1,VKGFOICSKLNRMP-UHFFFAOYSA-N
-rxn:4:219207:225071,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccc(-c5ccc(Cl)cc5)c(F)c4)cc3)cs2)CC1,ACPVRCHAIDRGMI-UHFFFAOYSA-N
-rxn:4:219238:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)c5ccno5)C4)nc3)cc2)C1,JVDDIZKQTSDKSN-UHFFFAOYSA-N
-rxn:4:219253:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3C(=O)N3CC(Cn4ccnn4)C3)ccc2F)CC1,BMIRFNRNTPXEMN-UHFFFAOYSA-N
-rxn:4:219340:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)o2)CC1,FXIJJIOOVAGCMR-UHFFFAOYSA-N
-rxn:4:219388:225061,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)c(F)c2)CC1,HCDMJDFQICBMIN-UHFFFAOYSA-N
-rxn:4:219407:222546,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,HGZLYZCQVFOVHR-UHFFFAOYSA-N
-rxn:4:219419:225172,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(CN5CCOCC5)ccc4F)o3)CC2)cc(C(F)(F)F)n1,QMACLUVMRLBNJZ-UHFFFAOYSA-N
-rxn:4:219433:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)o1,FHSNYASDUZAKLP-UHFFFAOYSA-N
-rxn:4:219434:222540,Cc1cnc(OC2CCN(C(=O)c3cncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)CC2)nc1,QGGFYMICEKFSRR-UHFFFAOYSA-N
-rxn:4:219477:222724,O=C(c1ccccc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,SOJHQKIWLHQRNE-UHFFFAOYSA-N
-rxn:4:219477:224810,O=C(c1ccccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,DGTSMTFRHLSGEL-UHFFFAOYSA-N
-rxn:4:219477:225227,CC1CCN(c2ncc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2Cl)CC1,GYTOTPQLVVJLGG-UHFFFAOYSA-N
-rxn:4:219477:225805,CC(c1ccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)s1)N1CCOCC1,DBDGNTGWQDEXET-UHFFFAOYSA-N
-rxn:4:219506:225047,Cc1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cnc1N1CCC(C)CC1,DXRFKAIXGFMFKK-UHFFFAOYSA-N
-rxn:4:219516:224408,CN1CC(CN2CCC(Oc3ncc(-c4cc(C(F)(F)F)nn4C(=O)OC(C)(C)C)cn3)CC2)CC1=O,NFEHNKFJMVCCFI-UHFFFAOYSA-N
-rxn:4:219516:225798,CN1CC(CN2CCC(Oc3ncc(-c4ccc(OC5CCOCC5)nc4)cn3)CC2)CC1=O,SQWJZGPVQAITQC-UHFFFAOYSA-N
-rxn:4:219516:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc(OC2CCN(CC3CC(=O)N(C)C3)CC2)nc1,WAJVBKGXFSJMGJ-UHFFFAOYSA-N
-rxn:4:219529:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)CC1,JSJTVTGCEZBWFQ-UHFFFAOYSA-N
-rxn:4:219530:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)CC1,RVXWHKCPQASBBQ-UHFFFAOYSA-N
-rxn:4:219530:224348,O=C1C(N2CCC(Oc3ncc(-c4ccc(-c5cccc(C(F)(F)F)c5)nc4)cn3)CC2)CCN1C1CC1,QZZGLQVVNRUJFQ-UHFFFAOYSA-N
-rxn:4:219535:222703,Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)CC2)cn1,QMJBLYYQLVPRFJ-UHFFFAOYSA-N
-rxn:4:219538:228588,CC#Cc1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)ccn1,XIGMBQGPFVYHFM-UHFFFAOYSA-N
-rxn:4:219551:222847,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cc(C#N)cc(C5CCCNC5)c4)cn3)CC2)C1=O,MNQBJMVYANFKDQ-UHFFFAOYSA-N
-rxn:4:219569:224439,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccc(C)c(OCc3ccccc3)c2)cc1[N+](=O)[O-],VLSRKNGPJOWBDC-UHFFFAOYSA-N
-rxn:4:219619:222462,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)cc12,BTYZCQDSFNFBAN-UHFFFAOYSA-N
-rxn:4:219653:225172,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(CN5CCOCC5)ccc4F)nc3s2)CC1,WBOFDILFTPJDDF-UHFFFAOYSA-N
-rxn:4:219653:225221,CC1CCCN(c2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c(F)cn2)C1,USKRTIUCFPUCQZ-UHFFFAOYSA-N
-rxn:4:219654:225005,CC(c1cccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)c1)N1CCOCC1,ABODOLHSNBIVDV-UHFFFAOYSA-N
-rxn:4:219688:224718,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cn3n2)CC1,NMTQFMKWQBTOBD-UHFFFAOYSA-N
-rxn:4:219704:225882,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)cc3n2)CC1,AANFYLYXZLLBDZ-UHFFFAOYSA-N
-rxn:4:219743:224755,CC(C)c1sc(-c2cc(C(=O)N3CCOCC3)ccc2F)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,SCNATXHXEKHBLU-UHFFFAOYSA-N
-rxn:4:219750:225594,COc1ccc(-c2ccc(F)cc2CN2CCCC2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,HBIZFVZJNUBIIK-UHFFFAOYSA-N
-rxn:4:219762:223088,CC(=O)C1=C(c2ccc(-c3ccnc4[nH]c(C(F)(F)F)cc34)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,DYVRPULMCNIWME-UHFFFAOYSA-N
-rxn:4:219762:228365,CC(=O)C1=C(c2ccc(-c3cnc(C4CC4)nc3Cl)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,HCOVGVXXDXUNBH-UHFFFAOYSA-N
-rxn:4:219766:225654,CC1CCCN(c2ccc(-c3cncc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)c3)cn2)C1,UNFFBYAMGLIWSN-UHFFFAOYSA-N
-rxn:4:219902:224171,CC(C)N1CCN(c2c(-c3ccc(OCCCN4CCCC4)c(F)c3)cncc2[N+](=O)[O-])CC1,WSSFTHHEYALRSQ-UHFFFAOYSA-N
-rxn:4:219903:222693,CC(C)N1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2[N+](=O)[O-])CC1,LYBCBPIFCKTJOM-UHFFFAOYSA-N
-rxn:4:219904:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cc2)CC1,NLMAEZBYDPZVIY-YHBQERECSA-N
-rxn:4:219937:224256,CC1CCCCN1C(=O)c1cc(-c2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)ccc1Cl,XDLKDBFFRCSMSP-UHFFFAOYSA-N
-rxn:4:219955:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1F,BUZBXTGQMWAIKF-UHFFFAOYSA-N
-rxn:4:219975:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)cc2F)CC1,VZPBRRQQLMKNDH-UHFFFAOYSA-N
-rxn:4:220158:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,UJVIWXZMQPKPET-UHFFFAOYSA-N
-rxn:4:220162:226374,CSc1ncc(-c2cncnc2C2CCCCC2)c(N2CC(N3CC4CCCC4C3)C2)n1,LQYNDMYLQDOMBQ-UHFFFAOYSA-N
-rxn:4:220429:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,KIVWSXUVRILLJO-UHFFFAOYSA-N
-rxn:4:220432:223542,Cc1cc(C)nc(N2CCN(c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)n1,SBNUPFBFQRIVGH-UHFFFAOYSA-N
-rxn:4:220432:223841,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)CC2)n1,RSUIETAAQGOCDH-UHFFFAOYSA-N
-rxn:4:220497:223687,CC(C)Cn1c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nc2c1c(=O)n(C)c(=O)n2C,VQQCJVAIEHRZGK-UHFFFAOYSA-N
-rxn:4:221099:225898,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c(C(F)F)n1,FIYAJRCMAFTQJV-UHFFFAOYSA-N
-rxn:4:221103:225050,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc(F)cc(N5CCC(C)CC5)c4)cn3)C2)cn1,SKLVBYKQVTUXBP-UHFFFAOYSA-N
-rxn:4:221108:223838,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)N(C)C)CC5)cc4)cn3)CC2)c(=O)c1C,USBUPHKGBCEGFV-UHFFFAOYSA-N
-rxn:4:221117:224759,O=C(c1cc(F)cc(-c2ccc3nc(N(CCN4CCOCC4)C(=O)c4cnccn4)sc3c2)c1)N1CCOCC1,FEEWNVQKLNLNTR-UHFFFAOYSA-N
-rxn:4:221128:223528,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(F)c(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)nnn3c3ccccc23)C1,UDCAEUMXELYPIB-UHFFFAOYSA-N
-rxn:4:221129:224322,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)cc5)cc4)nnn3c3ccccc23)CC1,SEGOCKYBCWIANB-UHFFFAOYSA-N
-rxn:4:221152:222542,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCNCC1,FBBKNXZXAWZKPL-UHFFFAOYSA-N
-rxn:4:221164:224065,COc1ccnc(N2CCCC(COc3ncc(-c4cc(C5CC5)cc(N5CCC(C)CC5)c4)cn3)C2)n1,SCNOUSLACZNDFG-UHFFFAOYSA-N
-rxn:4:221166:222541,CSc1ncc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c(N2CCC(COc3cnccn3)CC2)n1,DIZOXWJNZLDYNH-UHFFFAOYSA-N
-rxn:4:221169:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)cc2C)CC1,FDMADQHZSZKLEF-UHFFFAOYSA-N
-rxn:4:221172:223606,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cn3)CC2)ccc1=O,XAVBAHPOHJRGCK-UHFFFAOYSA-N
-rxn:4:221175:228179,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(COC)c4)cn3)C2)C(=O)C1=O,BIRCPXLKDIJNIA-UHFFFAOYSA-N
-rxn:4:221175:228266,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(Cl)c4SC)cn3)C2)C(=O)C1=O,HVFFMQARGPVQCU-UHFFFAOYSA-N
-rxn:4:221175:228742,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)cc(C#N)c4)cn3)C2)C(=O)C1=O,ASKCOQGPKWQCPK-UHFFFAOYSA-N
-rxn:4:221175:228810,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(Cl)c4SC)cn3)C2)C(=O)C1=O,OQKWJTDPFWZCFQ-UHFFFAOYSA-N
-rxn:4:221177:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,ZGQQNDCAUPPTQX-UHFFFAOYSA-N
-rxn:4:221188:224732,CC(C)c1nccc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)OCC(C)(C)C)cc4)cn3)C2)n1,XQJVMASSDUQNKE-UHFFFAOYSA-N
-rxn:4:221203:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccc1F,SSKUTUMGAKQZOH-UHFFFAOYSA-N
-rxn:4:221204:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,GGHLSZNZIYXNLN-UHFFFAOYSA-N
-rxn:4:221207:223279,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,FSUDYUCAEHCOBD-UHFFFAOYSA-N
-rxn:4:221232:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OCC2CCCN(c3nc4c(cc3C#N)COCC4)C2)nc1,UXBBLPDNOUVCER-UHFFFAOYSA-N
-rxn:4:221240:223533,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C1)CCC2,UEDJZOBCTHUNIJ-UHFFFAOYSA-N
-rxn:4:221250:226507,CC(C)COc1cc(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c(F)cn1,LSEWNADKEIJTKZ-UHFFFAOYSA-N
-rxn:4:221369:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(F)c2)CC1,JIJLZRFINQUTIC-WBFAGQMUSA-N
-rxn:4:221373:223945,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,AMPMMUZQJOLNCO-UHFFFAOYSA-N
-rxn:4:221375:223533,Cn1cnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)cc1=O,KDCNXAVCJIUAEV-UHFFFAOYSA-N
-rxn:4:221378:224325,CC(C)c1noc(C2CCN(c3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc3C#N)CC2)n1,BUTPAAAQSKJONU-UHFFFAOYSA-N
-rxn:4:221382:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cncc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)CC1,RNHHZKMQJYAXKR-UHFFFAOYSA-N
-rxn:4:221395:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c3ccccc23)CC1,VDWHACYUUBPZLU-UHFFFAOYSA-N
-rxn:4:221395:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc1,BZVALFYUPLQNMC-UHFFFAOYSA-N
-rxn:4:221398:222634,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)CC1,NEFHEPDWLXGVCQ-UHFFFAOYSA-N
-rxn:4:221411:224764,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(C(=O)N5CCOCC5)cc4F)c3)CC2)n(C2CC2)c1=O,UREACLGGYDPWKF-UHFFFAOYSA-N
-rxn:4:221416:222629,CC(C)(C)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)cc(C2CCCNC2)n1,KLKPXDOMWPSGMR-UHFFFAOYSA-N
-rxn:4:221419:222747,CC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(C(=O)NCC5CCCO5)cc4)cn3)CC2)n1,MIVZNQNYBNAATJ-UHFFFAOYSA-N
-rxn:4:221421:223692,O=C(c1cccc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,MFOLGUJRRKEFNO-UHFFFAOYSA-N
-rxn:4:221422:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,PJOVHPVFBFJDDQ-UHFFFAOYSA-N
-rxn:4:221422:227480,CCCOc1nccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1Cl,BJWNHPVBKBNQDT-UHFFFAOYSA-N
-rxn:4:221423:222604,COc1ccc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1S(=O)(=O)NC1CCCC1,SHDMTABNIWXLLV-UHFFFAOYSA-N
-rxn:4:221432:226188,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cc(C)c([Si](C)(C)C)cc4C)c3)CC2)n1,HTBNRXNRJUUFOO-UHFFFAOYSA-N
-rxn:4:221439:223181,CCNS(=O)(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)c1,XGIGITXNNJAIBL-UHFFFAOYSA-N
-rxn:4:221440:226356,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c(Cl)cc1C1CC1,YUQYXULSFGALGQ-UHFFFAOYSA-N
-rxn:4:221440:227310,CCC(C)c1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc1Cl,CLZYSWMGIDYRGR-UHFFFAOYSA-N
-rxn:4:221449:226612,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)nc4)cc3)CC2)n1,QFMXMQKYWGPTFO-UHFFFAOYSA-N
-rxn:4:221451:227258,CCCOc1ccc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c(F)c1,QARZZTVYGIKASZ-UHFFFAOYSA-N
-rxn:4:221453:226540,CCOC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,GIEGFHMPYZXJOZ-UHFFFAOYSA-N
-rxn:4:221456:223927,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc5cccnc5n4COCC[Si](C)(C)C)cc3)CC2)n1,WFMRNEYGXUPNFQ-UHFFFAOYSA-N
-rxn:4:221456:226232,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OCCN(C)C)c4)cc3)CC2)n1,NWXNGLBSQQEZCW-UHFFFAOYSA-N
-rxn:4:221456:227682,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)cc([N+](=O)[O-])c4)cc3)CC2)n1,RVVJZTCJCVIYOT-UHFFFAOYSA-N
-rxn:4:221456:227935,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1OC,WDUXMIZXIDMBCL-UHFFFAOYSA-N
-rxn:4:221456:228246,CC(=O)c1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,IQLOVAIHMAEMRX-UHFFFAOYSA-N
-rxn:4:221456:228972,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)cs4)cc3)CC2)n1,AMJQCRHJZAYOFX-UHFFFAOYSA-N
-rxn:4:221492:223897,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5ccc(C)c(OCCCN6CCOCC6)c5)o4)CC3)n2n1,KFFVVNMUBJFYFK-UHFFFAOYSA-N
-rxn:4:221498:224197,CCN1CCN(Cc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2F)CC1,GCVLHTGPKNZZTP-UHFFFAOYSA-N
-rxn:4:221528:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2nc(C(=O)N3CCN(c4nc5ccccc5n4C)CC3)c(C(C)C)s2)cc1,GMPZZEJPUCITPM-UHFFFAOYSA-N
-rxn:4:221538:225371,COC(=O)c1cc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cnc1C(F)(F)F,VJXRQWITTSZNMT-UHFFFAOYSA-N
-rxn:4:221546:222585,COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccccc3C(=O)NCCN3CCOCC3)cc2)n(C)c1=O,FXDYBTMKCKJTBE-UHFFFAOYSA-N
-rxn:4:221572:223678,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C(F)(F)F)cc(OCc4ccccc4)c3F)cc2)n(C)c1=O,WRPMHWLBYJRXEL-UHFFFAOYSA-N
-rxn:4:221604:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)c(F)c2)CC1,NUJMEDHUMBZQKV-HZCBDIJESA-N
-rxn:4:221618:224125,O=C1CN(c2ncc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cn2)CCN1c1ccnc(C(F)(F)F)c1,SBICMUONFKZTHT-UHFFFAOYSA-N
-rxn:4:221723:224022,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC1)CCC2,DZKHHBQGZGJYAT-UHFFFAOYSA-N
-rxn:4:221727:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)c2)CC1,BUYSISMCRZHLKF-UHFFFAOYSA-N
-rxn:4:221740:222724,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)n(C)c1=O,GAQXPMWDMLDDHS-UHFFFAOYSA-N
-rxn:4:221787:224286,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cc3)c(=O)n2C)c1,JNCVOOBSKCNSIK-UHFFFAOYSA-N
-rxn:4:221832:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,NHFDDKQJMBJYJK-UHFFFAOYSA-N
-rxn:4:221836:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)ccn2)CC1,YSQWYCZLGCWLEB-UHFFFAOYSA-N
-rxn:4:221876:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cc(C4N=NN=N4)ccn3)c2)CC1,IBXVTJZGWSTMGT-UHFFFAOYSA-N
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-rxn:4:221935:222722,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)C1,MGWOVUKQWNLHEU-UHFFFAOYSA-N
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-rxn:5:183062:223062:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)cc2c1OCCCO2,BKGSMXNHRFGLQI-UHFFFAOYSA-N
-rxn:5:183189:222958:225683,Cc1ccc(-c2cc(-c3ccc(C4CCCOC4)nc3C)cc3c2OC(C)(C)OC3)cc1C1CCNCC1,YFCLPTJKPBIYFE-UHFFFAOYSA-N
-rxn:5:183189:223135:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3cccnc3C3CCCNC3)c1)OC(C)(C)OC2,FXLDXOMABYQBKA-UHFFFAOYSA-N
-rxn:5:183189:225832:226438,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCC3)cc2F)cc2c1OC(C)(C)OC2,AAQASYXTVRUYSH-UHFFFAOYSA-N
-rxn:5:188875:223008:223061,CON(C)C(=O)c1cc(-c2cc(C3CCNCC3)ccc2F)cc(-c2cc(C3CCNCC3)ncc2F)c1,YYZSZJXODVPNGG-UHFFFAOYSA-N
-rxn:5:188930:223135:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccc(C2CCNCC2)nc1,IXKWTHRZMQTGIB-UHFFFAOYSA-N
-rxn:5:189207:223388:225821,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)O)cc2)ccc1-c1ccc(C2CC2)c(C(F)(F)F)c1,LOFJEWQZVZQROY-UHFFFAOYSA-N
-rxn:5:189207:227338:223215,CC(C)Oc1ccc(F)c(-c2ccc(-c3ccc4c(c3)NC(=O)CC4)c(C(=O)ON3C(=O)CCC3=O)c2)c1,JWQHHDXZTNBHPJ-UHFFFAOYSA-N
-rxn:5:189208:223199:222415,NS(=O)(=O)c1cc(-c2cc(-c3cccc(C4CCNC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)ccc1F,FEADEVQAXCPDAE-UHFFFAOYSA-N
-rxn:5:189209:227490:227387,CC(C)(C)Oc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccnc(N4CCCC4)c3)c2)cn1,MPUKWCQJHLNWOB-UHFFFAOYSA-N
-rxn:5:189211:225817:228493,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(F)(F)F)c(C3CC3)c2)c1-c1cc(F)c(F)c(F)c1F,BHRYFGXFAPFEOM-UHFFFAOYSA-N
-rxn:5:189211:227079:223294,CC(C)Cc1ccc(F)c(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2csc(N3CCNCC3)n2)c1,ZVSOFNVGWLQMAX-UHFFFAOYSA-N
-rxn:5:189212:227037:227547,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(C#N)ccc2C2CC2)ccc1OC(F)F,OFBMGINSBZWLOD-UHFFFAOYSA-N
-rxn:5:189212:228366:226742,CN(C)c1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C#N)cc2C(F)(F)F)cc1F,NRTCHQRUGMDHFJ-UHFFFAOYSA-N
-rxn:5:189321:225976:225980,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cc(N2CCOCC2)ncc1F,ZQSUXMDBAQXGKH-UHFFFAOYSA-N
-rxn:5:189322:222985:226761,CSc1ccc(-c2ncc(-c3ccc(C4CCCNC4)nc3C)cc2C(=O)OC(C)(C)C)c(C(F)(F)F)c1,SUWRKRLNMNKBFC-UHFFFAOYSA-N
-rxn:5:189334:222985:226761,CSc1ccc(-c2cc(-c3ccc(C4CCCNC4)nc3C)cnc2C(=O)OC(C)(C)C)c(C(F)(F)F)c1,ONRKLMSXZUQYDC-UHFFFAOYSA-N
-rxn:5:189449:226744:225672,CCc1cc(-c2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2C(=O)N2CC(OC)C2)cnc1C(F)(F)F,PHTJODRDOJQJRL-UHFFFAOYSA-N
-rxn:5:189449:227508:225469,COC(=O)c1cc(-c2ccc(-c3ccc(N4CCCC(C)C4)cc3)cc2C(=O)N2CC(OC)C2)cc(C)n1,XSORPOBCLIJGHE-UHFFFAOYSA-N
-rxn:5:189538:225871:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(C(=O)N(C)C(C)C)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,MCEWKHAEUIMOAI-UHFFFAOYSA-N
-rxn:5:189668:225617:227691,COc1cc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccc(OC4CCCCO4)cc3)c2)ccc1[N+](=O)[O-],OMVOJXGSUMBELP-UHFFFAOYSA-N
-rxn:5:189668:226321:225870,O=C(Cc1ccc(-c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(SC2CCCC2)nc1)N1CCCC1,AYZWVTXJHLITLX-UHFFFAOYSA-N
-rxn:5:189672:226884:226586,CC(C)(C)S(=O)/N=C/c1cccc(-c2c(F)cc(C(F)(F)F)cc2F)c1-c1ccnc(OC2CCOC2)c1,OEPDEMYRBDIVBP-HBHSWBPBSA-N
-rxn:5:189674:223061:227089,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccncc2C2CCCC2)cc1-c1cc(C2CCNCC2)ncc1F,FMGNEUCXFGEEAZ-IZYHBKOJSA-N
-rxn:5:189718:223383:225879,CC(=O)Nc1ccc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccc(N3CCOCC3)cc2F)cn1,UHCLGIMENGQTIG-UHFFFAOYSA-N
-rxn:5:189718:225886:227404,CS(=O)(=O)n1ccc2cc(-c3cc(OC4CCOCC4)c([N+](=O)[O-])cc3-c3cc(N4CCCCC4)cs3)ccc21,ZLMVTTMRPRYMNY-UHFFFAOYSA-N
-rxn:5:189718:226190:226061,CC(C)c1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(C3CCCC3)cc2F)cc(C2CC2)c1,SZIVMLAWHZVQKP-UHFFFAOYSA-N
-rxn:5:189909:225834:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cc(N3CCCCC3)ncc2F)c(CCN2CCOCC2)c1,KELVJTSJCYXGRN-UHFFFAOYSA-N
-rxn:5:189909:226395:226644,c1cc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)cc1-c1cncc(N2CCOCC2)c1,ZYFXSKRIEZCKTG-UHFFFAOYSA-N
-rxn:5:189909:227280:226836,CC(C)c1cnc(C#N)cc1-c1ccc(-c2cn(C(C)C)nc2C(F)(F)F)cc1CCN1CCOCC1,BPMJXIMABWHLKX-UHFFFAOYSA-N
-rxn:5:189952:223294:226679,COc1c(-c2csc(N3CCNCC3)n2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCC2)cc1F,PZYGYFHBWXNNHJ-UHFFFAOYSA-N
-rxn:5:190128:228524:225976,COC1CCN(C(=O)c2ccc(-c3cnc4c(c3)CCC4)c(-c3ccnc(N4CCOCC4)c3F)c2)CC1,BDZMLWCUWAHWTN-UHFFFAOYSA-N
-rxn:5:190194:223017:225814,COC(=O)c1cccc2cc(-c3cccc(CN4CCC(OC)CC4)c3-c3cccc(C4(C(F)(F)F)CC4)c3)[nH]c12,RSFRGGXMVYGCHY-UHFFFAOYSA-N
-rxn:5:190194:225625:228148,COc1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(OC3CCCC3)ccc2F)c1OC,FPZAERVJKBAQLQ-UHFFFAOYSA-N
-rxn:5:190194:226437:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCC3)ncc2F)cc(F)c1OC,LATDQZLKVMEAMG-UHFFFAOYSA-N
-rxn:5:190194:227562:225451,COc1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCCC3)cc2)c1OC,VMTDVGVTKYFGSF-UHFFFAOYSA-N
-rxn:5:190197:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(CN3CCOCC3)nc2)ccc1CN(C)C1CCOCC1,ZUDUCXVJBHHTRA-UHFFFAOYSA-N
-rxn:5:190201:223113:227491,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cnc(OC3CCC3)nc2)CCO1,FBHREQAWIIYXAQ-UHFFFAOYSA-N
-rxn:5:190231:225940:228881,COc1c(-c2cnc(C(C)=O)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(C(F)(F)F)cnc1C1CC1,QAYZGZKAAYAUEH-UHFFFAOYSA-N
-rxn:5:190231:226326:223424,COc1c(-c2ccc(C=NO)cc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc(C2(C#N)CC2)c1F,QPBGAGRYKAAGSP-UHFFFAOYSA-N
-rxn:5:190335:223147:226154,COc1cc(C(C)(C)C)ccc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C3CNCCO3)cc2)c1OC,NYHVURDTEMQDJP-UHFFFAOYSA-N
-rxn:5:190335:223271:225941,COc1c(-c2ccc(F)c(NC(C)=O)c2)cc(C(=O)N2CCCCC2C)cc1-c1cnc(C2CC2)c(C(F)(F)F)c1,INUQNSYJMJUEKF-UHFFFAOYSA-N
-rxn:5:190404:223388:225820,O=C(c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1)N1CCSC(c2ccccc2-c2c(C3CC3)cccc2C(F)(F)F)CC1,PXALOLHUPNLLSB-UHFFFAOYSA-N
-rxn:5:190484:223147:223146,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2cccc(C3CNCCO3)c2)S(=O)(=O)CC1,IINQCFRSWLWZJG-UHFFFAOYSA-N
-rxn:5:190484:223241:227501,O=C(c1cccc(-c2cncc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,HDRRCUAWIHUOHR-UHFFFAOYSA-N
-rxn:5:190484:223311:227517,O=C(c1cccc(-c2cccc(C3CNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(OC3COC3)nc2)S(=O)(=O)CC1,YSWHWQQVFDCADA-UHFFFAOYSA-N
-rxn:5:190484:223355:227626,CNC(=O)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc(C4CCOC4)nc3)S(=O)(=O)CC2)c1,ZGJFRRHJQHVEQI-UHFFFAOYSA-N
-rxn:5:190484:228868:226685,COC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C5CCOCC5)nc4)S(=O)(=O)CC3)c2)s1,JAAKNXUQGZLBBJ-UHFFFAOYSA-N
-rxn:5:190740:223061:223062,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cnc(C2CCNCC2)cc1F,HHNOSUSREBLNSN-UHFFFAOYSA-N
-rxn:5:190740:225833:223061,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cc(C2CCNCC2)ncc1F,BYFPDLIFPXQOOJ-UHFFFAOYSA-N
-rxn:5:190740:225980:225881,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccc(C2CCOCC2)nc1F,VPUUMDVXZLCPFA-UHFFFAOYSA-N
-rxn:5:190740:225980:226662,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccc(N2CCN(C)CC2)s1,RZPMHGGBZUKVRW-UHFFFAOYSA-N
-rxn:5:190741:225677:225832,CCOC(=O)c1cnc2c(-c3ccc(C4CCCCC4)nc3F)cc(C)cc2c1-c1c(C)nn(C2CCCCO2)c1C,QYFOIKHBJHMRNL-UHFFFAOYSA-N
-rxn:5:190741:225849:223062,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,VSHWBGCXGGPZDX-UHFFFAOYSA-N
-rxn:5:190741:225849:225454,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(C2=CCN(C)CC2)cc1,DWKOWDOOOIBGLL-UHFFFAOYSA-N
-rxn:5:190742:225784:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(F)c(C2CCNCC2)c1,QEJSXHRKVLUSDL-UHFFFAOYSA-N
-rxn:5:190742:225805:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1-c1ccc(C2CCNCC2)nc1F,OZNSCXSTJBRSIG-UHFFFAOYSA-N
-rxn:5:190742:225976:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCOCC2)nc1F,FJKKVDONTWXTES-UHFFFAOYSA-N
-rxn:5:190742:226571:225978,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccc(N2CCOCC2)nc1F,UWSLDSLERQPUQM-UHFFFAOYSA-N
-rxn:5:190742:226662:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1ccc(C2CCNCC2)nc1F,ZICFXWXPDQUZLR-UHFFFAOYSA-N
-rxn:5:190743:225849:223064,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,XDTQSYOJSLBCLD-UHFFFAOYSA-N
-rxn:5:190743:225982:226662,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1ccc(N2CCN(C)CC2)s1,ZCWLXVJODCLKHI-UHFFFAOYSA-N
-rxn:5:190744:223064:225655,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,GHRTYEIJMPDABH-UHFFFAOYSA-N
-rxn:5:190744:225976:223062,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,FMYATBFCAIVZHQ-UHFFFAOYSA-N
-rxn:5:190744:225976:223064,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,MQAIDXWXWRVPMP-UHFFFAOYSA-N
-rxn:5:190744:225978:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,UYNCZURDBBEYNF-UHFFFAOYSA-N
-rxn:5:190832:226844:225794,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(C(=O)C(F)(F)F)c3)c(C)c2c1-c1cnc(OC2CCCCC2)nc1,NYBYBYCRDIUHCV-UHFFFAOYSA-N
-rxn:5:190833:226580:228582,CC(C)c1ccncc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,FXFDQNCQSFBXFV-UHFFFAOYSA-N
-rxn:5:190859:223285:227048,CC(C)C(=O)c1ccc(-c2c(-c3ccccc3NS(C)(=O)=O)ccc3c2CCN3C(=O)OC(C)(C)C)cc1,ZNXNMBMWLYYOOH-UHFFFAOYSA-N
-rxn:5:190859:226182:227908,CC(C)Cc1ncccc1-c1c(-c2cccnc2C2CCCCC2)ccc2c1CCN2C(=O)OC(C)(C)C,ALNSBCQVUCKQMD-UHFFFAOYSA-N
-rxn:5:190998:227818:226140,CCC(C)c1cccc(-c2ccc3c(c2)CN(c2ccc(-c4cc(C(C)(C)C)ccc4OC)cc2C(=O)OC)C(=O)CO3)c1,BZUJQRYNDGCHRR-UHFFFAOYSA-N
-rxn:5:191026:228548:226140,CCCc1cncc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)(C)C)ccc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,HEGWBCKPVYSGJL-UHFFFAOYSA-N
-rxn:5:191049:226794:225849,COc1cc(N2Cc3cc(-c4cnc(N5CCSCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCCCC2)cc1F,UZXWSRIBAZJWEQ-UHFFFAOYSA-N
-rxn:5:192236:225834:223056,COc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(S(N)(=O)=O)cc1-c1cc(N2CCCCC2)ncc1F,RYROUENDWJKGRM-UHFFFAOYSA-N
-rxn:5:192560:225634:225985,Cc1cc(-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)c(C(=O)N3CCC3)c2)cnc1N1CCCCC1,JCOFOGIAWXOZIL-UHFFFAOYSA-N
-rxn:5:192570:225808:226054,O=C(c1ccc(-c2cc(OC3CCCC3)ncc2F)c(-c2cnc(C(F)(F)C(F)(F)F)nc2)c1)N1CCC1,URHILJKYVWDTLS-UHFFFAOYSA-N
-rxn:5:193052:226767:225603,COc1ccc(C(F)(F)F)c(-c2ccc(C(=O)N3CCCC3)c(-c3cccc(C4(C#N)CCC4)c3F)c2)c1,XHFOMVYIEOEVJF-UHFFFAOYSA-N
-rxn:5:193153:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCC2)cc1-c1ccnn1C1CCCCO1,ZSJZGVBIXJZUSM-UHFFFAOYSA-N
-rxn:5:193226:225655:225978,CC1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3-c3ccc(N4CCOCC4)nc3F)c2)CC1,GVVUPSLTPYUYCU-UHFFFAOYSA-N
-rxn:5:193226:225976:225803,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccnc(OC3CCOCC3)c2)c1)N1CCOCC1,IBFZMTQDNVDJIN-UHFFFAOYSA-N
-rxn:5:193228:223000:225634,Cc1cc(-c2cc(C(=O)N3CCSCC3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2)cnc1N1CCCCC1,XFWHVKNKDLAJLE-UHFFFAOYSA-N
-rxn:5:193229:223006:226645,O=C(c1cccc(-c2ccc(F)c(C3CCNCC3)c2)c1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,MFOPCFKPZXPLCC-UHFFFAOYSA-N
-rxn:5:193382:222958:226583,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(CN4CCOCC4)s3)c2)cc1C1CCNCC1,IUIGHXHCVFLCDK-UHFFFAOYSA-N
-rxn:5:193382:223146:225805,CC(c1ccc(-c2cc(-c3cccc(C4CNCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,NQFOFJQIVGWYCZ-UHFFFAOYSA-N
-rxn:5:193382:223286:223131,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCNCC4)cc3)c2)c1,GHLPDTVPBGGQCA-UHFFFAOYSA-N
-rxn:5:193382:223286:227684,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnn(CC4OCCO4)c3)c2)c1,LHHFKOZZJQCPAJ-UHFFFAOYSA-N
-rxn:5:193382:223289:227449,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CCOCC3)s2)c1,RIQFVGDDPQCXRS-UHFFFAOYSA-N
-rxn:5:193382:223311:226661,CN1CCN(c2csc(-c3cc(-c4cccc(C5CNC5)c4)ccc3S(=O)(=O)N3CCOCC3)c2)CC1,QNAHWNWAVBVECU-UHFFFAOYSA-N
-rxn:5:193382:226335:226645,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3)c2)ccc1C1COC1,QDIAUINVWYURAG-UHFFFAOYSA-N
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-rxn:5:196918:225639:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1c(-c2cccnc2N2CCC(C)CC2)cccc1N1CCCCC1=O,BLHOVDJFHANIGL-UHFFFAOYSA-N
-rxn:5:196919:225849:225926,CC1(C)COC(c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,TXEBPHJOUIPFIS-UHFFFAOYSA-N
-rxn:5:196919:225926:225833,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2ccnc(N3CCCCC3)c2F)=N1,UOVMIWZSBPDVDP-UHFFFAOYSA-N
-rxn:5:196919:225926:226366,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2ccnc(N3CCCCC3)c2)=N1,UPDMRORLPYMBQW-UHFFFAOYSA-N
-rxn:5:196919:225926:226679,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2cnc(N3CCCC3)cc2F)=N1,BMVZGEAZSFZCRT-UHFFFAOYSA-N
-rxn:5:196919:225985:225576,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCCC3)c(C#N)c2)=N1,PWZUJOSWLRZVPU-UHFFFAOYSA-N
-rxn:5:196919:225985:225633,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCCCCC3)nc2)=N1,DDHIVECAXGXKCR-UHFFFAOYSA-N
-rxn:5:196919:225985:225638,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3C3=NC(C)(C)CO3)cn2)CC1,OURKONJTKXYOHP-UHFFFAOYSA-N
-rxn:5:196919:225985:225639,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C2=NC(C)(C)CO2)CC1,LOAKLOYSNBICKP-UHFFFAOYSA-N
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-rxn:5:196919:226658:225987,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,OHKJWAYOOUMBOF-UHFFFAOYSA-N
-rxn:5:196922:226429:226431,CC1CCCN(c2ccc(-c3cc(-c4ccc(N5CCCC5)c(F)c4)cc(N4CCCCC4=O)c3)s2)C1,UPDPUXLKUIIWTH-UHFFFAOYSA-N
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-rxn:5:196970:225672:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCCCC2)c1-c1cc(F)nc(C2CCCCC2)c1,YHEPIWUGKQPKED-UHFFFAOYSA-N
-rxn:5:196971:222988:226654,Cc1cc(-c2cc(-c3csc(N4CCC(C)CC4)n3)c(C3CCCCC3)cn2)cc(C2CCNCC2)n1,WGQFZWWPZIGHKH-UHFFFAOYSA-N
-rxn:5:196979:225470:225985,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc(N4CCCCC4)c3)cc2)CC1,CFLYMIGMFWGACH-UHFFFAOYSA-N
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-rxn:5:223002:196858:222986,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)cc2F)cc(C2CCCNC2)n1,KPBKVJMVJUPEMA-UHFFFAOYSA-N
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-rxn:5:225677:193807:227587,COc1cc(-c2cccc(CN3CCC(C)CC3)c2-c2ccc(C3CCCCC3)nc2F)cc(F)c1OC,QOBLSQVHUOADDK-UHFFFAOYSA-N
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-rxn:5:225683:196978:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCOC3)nc2C)ccc1N1CCCCC1,URWWMYAXYOTREQ-UHFFFAOYSA-N
-rxn:5:225706:197876:226137,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cc3ncn(C(C)C)c3cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AVCRNXADPDUBND-UHFFFAOYSA-N
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-rxn:5:226058:178295:228582,COC(=O)C1(c2cc(-c3cnccc3C(C)C)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,ABJKBIZPJFKZHS-UHFFFAOYSA-N
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-rxn:5:226085:190797:225450,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C(=O)C4CCCC4)cc3)cc(-c3ccc4c(c3)CCC(C)(C)O4)cc21,WAJLIOQKNMPGKO-UHFFFAOYSA-N
-rxn:5:226139:180022:223062,COc1c(-c2cnc(C3CCNCC3)cc2F)ccc(-c2cc(C3CC3)cnc2C2CC2)c1C1OCCO1,YBLOMZDXBZXEQC-UHFFFAOYSA-N
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-rxn:5:226461:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,GPKBRZXNQVTGJJ-UHFFFAOYSA-N
-rxn:5:226464:178226:225672,COc1ccc2c(c1-c1c(OCC3CCCCC3)cccc1-c1cc(F)nc(C3CCCCC3)c1)OCCO2,TWHOYOGTEUBCFN-UHFFFAOYSA-N
-rxn:5:226576:178295:228505,CCCc1ccc(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,QOQSOIUHTZKRBX-UHFFFAOYSA-N
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-rxn:5:226582:178295:228519,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2F)CCC(=O)CC1,FBLWXWUQEMQJJI-UHFFFAOYSA-N
-rxn:5:226662:177190:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCN(C)CC3)s2)c1,RZSKIXDDTVKGFW-UHFFFAOYSA-N
-rxn:5:226679:193506:228211,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cc(N3CCCC3)cs2)CC1,KPJZHFCCYDDGFX-UHFFFAOYSA-N
-rxn:5:226686:181907:225880,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(C3CCOCC3)ncc2F)c(C2OCCO2)c1,UBJILFGHZFCZQU-UHFFFAOYSA-N
-rxn:5:226686:196858:225884,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccc(C2COCCO2)c(F)c1,SJRCNFFEQOBEIZ-UHFFFAOYSA-N
-rxn:5:226910:193869:227375,CCC(C)(C)c1ccc(-c2cc(C)c(-c3ccc(N4CCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)cc1,XYKSXFYKYOFJLL-UHFFFAOYSA-N
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-rxn:5:226974:178295:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,KPNFCDOGNRWRNR-UHFFFAOYSA-N
-rxn:5:227045:178295:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,CXEFCQHDKCPHRF-UHFFFAOYSA-N
-rxn:5:227052:178295:227329,COC(=O)C1(c2cc(-c3cc(C(C)=O)ccc3OC)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,IRKXVRMIPNLDLW-UHFFFAOYSA-N
-rxn:5:227065:190833:228388,Cc1cnc(C(F)F)cc1-c1ccc(-c2cccc(C(=O)C(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,DOGOMKVLIZWOCH-UHFFFAOYSA-N
-rxn:5:227069:190833:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(OC)cc2C(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,YYTDQMHODAHZNX-UHFFFAOYSA-N
-rxn:5:227075:178295:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,PMJPWLCXVMIZQU-UHFFFAOYSA-N
-rxn:5:227077:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C(C)CC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,NVXKVRVYFLSWMG-UHFFFAOYSA-N
-rxn:5:227078:178295:227077,CCC(C)c1ccc(-c2ccc(-c3cc(OC)ccc3C3CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,TWMNFJKIAQYOJC-UHFFFAOYSA-N
-rxn:5:227124:178295:228179,COCc1cc(F)cc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZBMRNQWOZDULQW-UHFFFAOYSA-N
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-rxn:4:173881:223529,CC(=O)CCCSc1ccccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,UEVCNTDIKSEHAV-UHFFFAOYSA-N
-rxn:4:174375:224458,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1ccc(C(C)N2CCC(C)CC2)cc1,ZBJWYGISORCSGL-UHFFFAOYSA-N
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-rxn:4:174656:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cccc2cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,JMDSKMNJKPTZGJ-UHFFFAOYSA-N
-rxn:4:174866:223493,COC(=O)CCc1c(Cl)cccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,JTZXTQVYJHOTIX-UHFFFAOYSA-N
-rxn:4:175093:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cc(S(C)(=O)=O)ccc3OCC(F)(F)F)c2)C1,NAHCNJVGWOCVHQ-UHFFFAOYSA-N
-rxn:4:175354:223979,CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)c1,PPSIDCZVCGSKBN-PZJWPPBQSA-N
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-rxn:4:175919:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1cc(OCC2CCOCC2)cc(C(F)(F)F)c1,HTIFMZZOXOSACB-UHFFFAOYSA-N
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-rxn:4:177304:223595,CCCOc1c(F)ccc(C)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,MGMFXTCJXDXNMH-UHFFFAOYSA-N
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-rxn:4:178384:228365,Clc1nc(C2CC2)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UGGMHMNLWKLWLN-UHFFFAOYSA-N
-rxn:4:178384:228555,COCc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YZPZYYJJYYYAHX-UHFFFAOYSA-N
-rxn:4:178384:228901,COc1cc(Cl)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,KDEGYDAQPLQHAR-UHFFFAOYSA-N
-rxn:4:178384:229072,CSc1cncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,ANMHGAUILQAMMU-UHFFFAOYSA-N
-rxn:4:178507:222545,CCOC(=O)C1CCc2cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)ccc2C1,GBKVGDFVAJNDNS-UHFFFAOYSA-N
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-rxn:4:178594:222466,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,ZYMFZHVMFRRLIW-UHFFFAOYSA-N
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-rxn:4:183842:223530,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)CCO1,DMRSTDRJKPJIMH-UHFFFAOYSA-N
-rxn:4:183864:225677,COC(=O)CN1CCCC(COc2cccc(-c3ccc(C4CCCCC4)nc3F)c2)C1,LXKNNDXVKOXECS-UHFFFAOYSA-N
-rxn:4:183885:224941,FC(F)(F)C1CCCN(CCCOc2ccccc2-c2ccc(CCN3CCOCC3)cc2)C1,PEBZVZMTAIGQHT-UHFFFAOYSA-N
-rxn:4:183910:224959,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2ccc(OCC3CCCCO3)cc2)c1,BBRUDVPEYZEKNO-UHFFFAOYSA-N
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-rxn:4:183923:222862,CCCCNC(=O)c1ccc(-c2ccc(OCC(=O)N(c3ccccc3)C3C=CS(=O)(=O)C3)cc2)cc1F,CZBHSBOVTSWQQW-UHFFFAOYSA-N
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-rxn:4:183984:224257,Cc1cc(-c2cc(C(=O)N3CCCCC3C)ccc2Cl)ccc1CN(C(=O)OC(C)(C)C)C(C)C,LAVINBLYTHKVNM-UHFFFAOYSA-N
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-rxn:4:184181:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)c1,ITXBLVSHPUJJRV-UHFFFAOYSA-N
-rxn:4:184246:224192,CCN1CCN(Cc2ccc(F)cc2-c2cccc(C3c4c(oc5ccc(C)cc5c4=O)C(=O)N3CCCOC(C)C)c2)CC1,MZDSKNQQLNYAKD-UHFFFAOYSA-N
-rxn:4:184886:224490,O=C(c1ccc(-c2ccccc2OCCN2CCCCC2)c(OCC(F)(F)F)c1)N1CCCC1,YVBLLTPVZFQBRA-UHFFFAOYSA-N
-rxn:4:184918:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccccc3OCCCN3CCC(F)(F)C3)cc2)CC1,QSRXWAKNDKVGSL-UHFFFAOYSA-N
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-rxn:4:185002:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1cccc(OCC(=O)N2CCCC(C(F)(F)F)C2)c1,CUSWJTXDWQIYMI-UHFFFAOYSA-N
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-rxn:4:185133:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(CC2CN(C(=O)OC(C)(C)C)C2)cc1,XJTPDVHAVMMQES-UHFFFAOYSA-N
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-rxn:4:185196:225570,COC(=O)c1ccc(C2CC2)c(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2OC)c1,RZCKAAPXNSXKSL-UHFFFAOYSA-N
-rxn:4:185200:222398,COC(=O)c1ccc(-c2ccc(NC(=O)NC3CC3)c(C)c2)c(CN2CCC(OC)CC2)c1,YBWMHSZDBBHVKF-UHFFFAOYSA-N
-rxn:4:185210:225992,CCOc1cccc(-c2cn(CC(C)C)nc2C(F)(F)F)c1CN1CCCC(C(F)(F)F)C1,ACAOGNLWOOOWEI-UHFFFAOYSA-N
-rxn:4:185261:223660,CCN(C(=O)c1cc(OC)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1)C1CCCCC1,BKIXIJJWEMUUKF-UHFFFAOYSA-N
-rxn:4:185263:225664,COc1cc(N2CCC(C(OC)OC)CC2)cc(F)c1-c1ccc(N2CCCCC2)cc1Cl,WLAFGUOZZIFWGF-UHFFFAOYSA-N
-rxn:4:185303:225001,CCOc1ccc(-c2ccc(CN3CCCC(F)C3)cc2)cc1S(=O)(=O)N(C)C1CCCCC1,DLJKWTHCIZIWKR-UHFFFAOYSA-N
-rxn:4:185333:222845,Cc1cccc(CC(=O)N(c2ccc(-c3ccc(C(C)N4CCNCC4)cc3)cc2)C2C=CS(=O)(=O)C2)c1,CYIFHMYVKPWQIE-UHFFFAOYSA-N
-rxn:4:185358:222529,COc1ccc(CNCc2ccc(-c3cccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3F)cc2)cc1,AHUIYAHGNFDAEV-UHFFFAOYSA-N
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-rxn:4:185375:222521,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)CC1,FVZOOFCSGALRHV-UHFFFAOYSA-N
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-rxn:4:185380:224886,CC1CCN(Cc2ccc(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,URSCPNNQLAETPL-UHFFFAOYSA-N
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-rxn:4:185398:226720,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cc(C(=O)OC)ncc2OC)c1,WCDPMUPRANCYCJ-UHFFFAOYSA-N
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-rxn:4:185535:226056,COC(=O)[C@@H]1Cc2ccc(-c3c4c(cc5c3CCC5)CCC4)cc2CN1C(=O)OC(C)(C)C,HSWOFAWJRZWBLN-DEOSSOPVSA-N
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-rxn:4:186905:224688,CCOC(=O)C1CC(=O)N(c2ccc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)cc2F)C1,PUEAXOXMZNNQGQ-UHFFFAOYSA-N
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-rxn:4:190897:224753,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2C)o1,YHQXIKPWEOGANV-UHFFFAOYSA-N
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-rxn:4:191032:225466,CC1CCCCN1c1ccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)cc1,RLTCTFGKGDNLDI-UHFFFAOYSA-N
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-rxn:4:191058:225222,COC(=O)C1CCN(C2CCc3cc(-c4cc(N5CCCCC5C)ncc4F)ccc32)CC1,QPMVHDDSQYNEBG-UHFFFAOYSA-N
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-rxn:4:191087:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,CCXWEIIPBKDJHE-UHFFFAOYSA-N
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-rxn:4:191103:226126,COCc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1C1CC1,SHKGEKMRDGFQJU-UHFFFAOYSA-N
-rxn:4:191103:227065,CC(C)C(=O)c1cccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,UXZAHOTYKGMHQR-UHFFFAOYSA-N
-rxn:4:191105:224428,CCCCOc1ccc2cc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)ccc2c1,KIJTYZILDLRHKL-UHFFFAOYSA-N
-rxn:4:191105:227513,COc1nc(OC)c(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1C,NMORERVUVWVECL-UHFFFAOYSA-N
-rxn:4:191105:227706,COc1cnc(C(F)F)c(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,IXVWUBBDGKLYII-UHFFFAOYSA-N
-rxn:4:191117:228110,CCc1cnc(C#N)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,NZCPZKXCJROYKR-UHFFFAOYSA-N
-rxn:4:191124:226289,COc1cccc(OC(C)C)c1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,ASEFNTWFARCAPD-UHFFFAOYSA-N
-rxn:4:191125:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,DWIHKNQRECDJTR-UHFFFAOYSA-N
-rxn:4:191142:223559,CCCCN1C(=O)c2cccc3c(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)ccc(c23)C1=O,ZVMKEGJUWAZOOE-UHFFFAOYSA-N
-rxn:4:191171:224059,COc1c(-c2ccccc2C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc(C(C)(C)C)cc1C(C)(C)C,AWIYDGLAQRLDLZ-UHFFFAOYSA-N
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-rxn:4:193050:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)c(C(=O)N4CCCC4)c3)ccc2C)CC1,BUAPADICWMOJNN-UHFFFAOYSA-N
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-rxn:4:201363:224009,COc1ccc(-c2ccc(F)cc2OC(C#N)=CN(C)C)cc1S(=O)(=O)N1CCOCC1,WOSPLNYYSTUEPT-UHFFFAOYSA-N
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-rxn:4:201689:222775,COC(=O)CC1CN(c2ccc(-c3ccc(CN4CCC(O)CC4)c(F)c3)cn2)CCO1,IVDFSYIBYVPFED-UHFFFAOYSA-N
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-rxn:4:201854:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2C(=O)N2CCC(Oc3ccncc3)C2)CC1,BEPKMYSAZXTCAK-UHFFFAOYSA-N
-rxn:4:201861:223239,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2cncc(C3CCCN3)c2)cc1[N+](=O)[O-],NKVZXIMLGKCHEU-UHFFFAOYSA-N
-rxn:4:201987:224566,CCN1CCN(Cc2cccc(-c3ccc(C4(C(=O)OC)CCCC4)cc3)c2OC)CC1,LKOAHUJAKCSHDR-UHFFFAOYSA-N
-rxn:4:202004:222624,CCOc1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,BDULWUKXYXKEFG-UHFFFAOYSA-N
-rxn:4:202008:225867,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(Cl)c(N2CCCCC2)c1,NVNMSJAEZFXJQM-UHFFFAOYSA-N
-rxn:4:202014:224489,CC(C)N(Cc1ccc(F)cc1-c1ccccc1CN1CCN(S(=O)(=O)C2CC2)CC1)C(C)C,MSJAQTSIOBQALA-UHFFFAOYSA-N
-rxn:4:202019:223671,COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)c1C(=O)N1CCN(C)CC1,WKUDXORBXDHFIJ-UHFFFAOYSA-N
-rxn:4:202082:224596,COc1cc(N2CCCCC2C)ccc1-c1cccc(C(=S)N2CCN(C(=S)c3ccc(F)cc3)CC2)c1,RPIMVIUQHFWBOL-UHFFFAOYSA-N
-rxn:4:202130:222984,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(CN4CCC(O)C4)cc3)c(F)n2)C1,JJFQNNFMNDXGCV-UHFFFAOYSA-N
-rxn:4:202132:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2Cl)CC1,QSHUNNFVDCRBDB-UHFFFAOYSA-N
-rxn:4:202138:224008,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)c(F)c2)CC1,ZCGQUEHHOPWEKZ-UHFFFAOYSA-N
-rxn:4:202157:222720,O=C(c1cncc(-c2ccc(N3CCNCC3)cc2C(F)(F)F)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1,ZNODLCVYSUAFMG-UHFFFAOYSA-N
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-rxn:4:202278:222787,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3Cl)cc2)CC1,IVRUJJZFISTBNB-UHFFFAOYSA-N
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-rxn:4:202311:224490,O=C(C1CCN(Cc2ccc(-c3ccccc3OCCN3CCCCC3)cc2)CC1)N1CCC(F)(F)CC1,UVKVDVMZOJOXIM-UHFFFAOYSA-N
-rxn:4:202315:225833,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3ccnc(N4CCCCC4)c3F)CC2)cc(=O)n1C,UYFIFOLEZJNXQD-UHFFFAOYSA-N
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-rxn:4:202315:225859,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCCC4)c(Cl)c3)CC2)cc(=O)n1C,VMSGVYSFJGGFOO-UHFFFAOYSA-N
-rxn:4:202324:222891,COc1cc(-c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c(C)cc2C)cc(C2CCNCC2)n1,IXYSFJYCPJWLPL-UHFFFAOYSA-N
-rxn:4:202328:222753,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C(=O)NCc4cccs4)c3)CC2)CC1,OLMVRODQONXPNG-UHFFFAOYSA-N
-rxn:4:202328:223076,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)NC4CC4)c3)CC2)CC1,NEMKMFXFKDKDIW-UHFFFAOYSA-N
-rxn:4:202328:226420,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(F)c(N4CCCC4)c3)CC2)CC1,SZKNQASMCKNAJT-UHFFFAOYSA-N
-rxn:4:202347:223041,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cc(C(=O)NC5CC5)ccc4F)c2)CC3)cc1,RBTNPSHSRWLLCU-UHFFFAOYSA-N
-rxn:4:202347:227793,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cc([N+](=O)[O-])c(Cl)cc4F)c2)CC3)cc1,SYKODAGGDHKKPW-UHFFFAOYSA-N
-rxn:4:202352:228013,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccc(F)c(C4CC4)c2)CC3)ccc1F,PYUOQTNSBXSDJO-UHFFFAOYSA-N
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-rxn:4:202518:222971,CC(C)[C@H]1c2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)sc2CN1C(=O)OC(C)(C)C,RRUBZGYJNBTFKX-IBGZPJMESA-N
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-rxn:4:202620:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)c1,WECOIZZTMFZWQE-SFHVURJKSA-N
-rxn:4:202648:222957,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc(C2CCCNC2)c1,RXPJGVVMPHPUEB-UHFFFAOYSA-N
-rxn:4:202648:225050,CC1CCN(c2cc(F)cc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)c2)CC1,YIVJKYINZUBXFA-UHFFFAOYSA-N
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-rxn:4:202683:222942,O=C(Cc1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)cc1)N1CC(N2CC3CCCC3C2)C1,DFZIOLLHAWSMDR-UHFFFAOYSA-N
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-rxn:4:202700:225876,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cc(Cl)ccc2N2CCOCC2)cc1,WPUHVPBHJMTUNJ-UHFFFAOYSA-N
-rxn:4:202757:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cccc(CN2C(=O)N(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc32)c1,IKEIRGYNKPIPDC-UHFFFAOYSA-N
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-rxn:4:202806:222539,CCOc1cccc(C2c3c(oc4ccc(-c5ccc6c(c5)CC(NC(=O)OC(C)(C)C)C6)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,DHSMRJJGIFLMNF-UHFFFAOYSA-N
-rxn:4:202807:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,VGYOXUDSPDKYPP-UHFFFAOYSA-N
-rxn:4:202807:225709,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN(C)C)nc2)cc1,IEXLVENSQATPFF-UHFFFAOYSA-N
-rxn:4:203048:223559,COC(=O)C(C)c1ncc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1,GKWYGMCAENCXIY-UHFFFAOYSA-N
-rxn:4:203464:224063,COC(=O)c1nc(-c2cc(C3CC3)cc(N3CCCC(C)C3)c2)sc1N1CCOCC1,LMIOBZILGWUFTK-UHFFFAOYSA-N
-rxn:4:203513:223712,COc1ccc(-c2cnc(OCC3CCOCC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,BGCMXVWHKYSYQF-UHFFFAOYSA-N
-rxn:4:203589:223996,CN1CCN(c2ccc(-c3ccc(F)c(C(C#N)N4CCOCC4)c3)c(C(F)(F)F)c2)CC1,AZPVDMQDGZDFQG-UHFFFAOYSA-N
-rxn:4:203611:223528,COc1ccc(S(=O)(=O)n2cnc(C)c2)cc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,RTYMDMLNBIWKHL-UHFFFAOYSA-N
-rxn:4:203630:222389,CCCc1nc(N2CCOCC2)sc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,NUMNXKSMFYFNBN-UHFFFAOYSA-N
-rxn:4:203642:224485,COC(=O)c1cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cnc1N1CCOCC1,KYIOAROGRRHKBT-UHFFFAOYSA-N
-rxn:4:203684:222693,COc1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cncc1S(=O)(=O)N1CCOCC1,CIACZWZDHSKYBW-UHFFFAOYSA-N
-rxn:4:203684:224325,COc1c(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cncc1S(=O)(=O)N1CCOCC1,UJQINJYHWMTJTR-UHFFFAOYSA-N
-rxn:4:203712:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,ATNGDMVMECRYCA-UHFFFAOYSA-N
-rxn:4:203712:226106,Cc1cc(OCC(C)C)cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c1,OXVZYFWWURKCHQ-UHFFFAOYSA-N
-rxn:4:203804:223491,CC(=O)N1CCCC(Cc2cncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)c2)C1,WQHSCFXNOMVKJW-UHFFFAOYSA-N
-rxn:4:203826:223699,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)ccc1-n1cccc1)N1CCCC1,YNFNYKCENAQTCI-UHFFFAOYSA-N
-rxn:4:203866:222537,CCN1CCN(Cc2ccc(Cl)cc2-c2cc(C3CCCC3)nc(C3CCCNC3)c2)CC1,VBBCEQOOXIAKPN-UHFFFAOYSA-N
-rxn:4:203874:222537,CN1CCN(CCc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)c(F)c2)CC1,VGUHOFKFVVCXEW-UHFFFAOYSA-N
-rxn:4:203880:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(CC3CCCN(S(C)(=O)=O)C3)n2)CC1,VIJFIRQAIKNOAL-UHFFFAOYSA-N
-rxn:4:203967:223809,CN(C)C1CCN(C(=O)c2cc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)ccc2Cl)CC1,HLPUBDXHWAXBQE-UHFFFAOYSA-N
-rxn:4:204013:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N(C)C)CC3)cc2)CC1,QIGLVEKLAVEVFY-UHFFFAOYSA-N
-rxn:4:204027:222929,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1ccccc1-c1cnc(Cl)c(N2CCC(O)CC2)c1,OKZNWPHYVISGPF-KRWDZBQOSA-N
-rxn:4:204028:225367,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2cnc(N3CCC(F)(F)CC3)nc2)c1,FWUUKVVUXLATLB-KRWDZBQOSA-N
-rxn:4:204046:222624,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc(C2CCNCC2)n1,RPBQCHKAGQRFOA-UHFFFAOYSA-N
-rxn:4:204049:224375,COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,OWPMWTOZMFERNU-UHFFFAOYSA-N
-rxn:4:204056:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCC3)c2)c1,NONXCWHEYBNZPT-UHFFFAOYSA-N
-rxn:4:204056:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCC3)c2)cc1,DANLRSLDUWPHIE-UHFFFAOYSA-N
-rxn:4:204060:222629,CC(C)(C)c1cc(-c2cncc(C(=O)N3CCSC(c4ccccc4Cl)CC3)c2)cc(C2CCCNC2)n1,WPHANMBGDLWADB-UHFFFAOYSA-N
-rxn:4:204106:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCCCC(c5ccc(F)cc5)C4)c3)cc2)CC1,YEVPPNOWNGAZFQ-UHFFFAOYSA-N
-rxn:4:204112:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2ccc(CN3CCCC3)c(N3CCCCC3)c2)c1F,FUBMZNISPUQTFZ-UHFFFAOYSA-N
-rxn:4:204122:222706,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)nc2)cc1,SALSYMRRMVMTBB-UHFFFAOYSA-N
-rxn:4:204154:222432,Cc1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C,ROBGAQHQLCZBPN-UHFFFAOYSA-N
-rxn:4:204156:223508,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2)c1,UAXPSAGKOYQWKD-UHFFFAOYSA-N
-rxn:4:204158:224853,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(C5CCC(C)(C)CC5)cc4)cc3Cl)CC2)cc1,CIPCVDWIXOIDEB-UHFFFAOYSA-N
-rxn:4:204167:226780,COc1c(F)cc(-c2ccc(CN3CCCC(C)C3)c(N3CCOCC3)c2)c(OC)c1Cl,YUQQOVXYYWALGT-UHFFFAOYSA-N
-rxn:4:204169:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(CN3CCOC(C)C3)c(N3CCCCC3)c2)CC1,MZAXCABXEWWSHK-UHFFFAOYSA-N
-rxn:4:204179:225833,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccnc(N5CCCCC5)c4F)cc3C)CC2)cc1C,PDFVPRROQMEHOW-UHFFFAOYSA-N
-rxn:4:204182:222514,COc1ccc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1S(=O)(=O)NC1CCCCC1,AGVNJNAETGNVCO-UHFFFAOYSA-N
-rxn:4:204183:225833,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3ccnc(N4CCCCC4)c3F)CC2)c(C)c1,ZHEWLACPDMIRCP-UHFFFAOYSA-N
-rxn:4:204183:225849,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cnc(N4CCCCC4)cc3F)CC2)c(C)c1,JIMVDXIRWLQVBZ-UHFFFAOYSA-N
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-rxn:4:206622:223926,O=C(c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)n1)N1CCC(F)(F)CC1,RZRPTTIIYHJVPB-UHFFFAOYSA-N
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-rxn:4:206793:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1,HLPCKKSQRXBVQE-UHFFFAOYSA-N
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-rxn:4:206935:222513,CCN1CCN(c2cc(F)cc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)c2)CC1,DGXNFASWZHUXTF-UHFFFAOYSA-N
-rxn:4:206946:222706,CS(=O)(=O)N1CCCC(c2cccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)n2)C1,PHNNIDLGJVGNCM-UHFFFAOYSA-N
-rxn:4:206961:224155,CC1CCCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)c2)C1,OCJPAGZCUANTOH-UHFFFAOYSA-N
-rxn:4:206964:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)c2)CC1,ZUUKYTPIIPFCQN-UHFFFAOYSA-N
-rxn:4:207014:222707,Cc1cc(C(=O)N2CCN(C)CC2)cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)c1,NLXNFDWEHAEJQU-UHFFFAOYSA-N
-rxn:4:207024:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3C)c2)CC1,CDSATMGHKYVZNA-UHFFFAOYSA-N
-rxn:4:207061:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cccc(S(=O)(=O)N2CCCN(C)CC2)c1,GOFVXKBDFBVTCO-UHFFFAOYSA-N
-rxn:4:207139:223503,COC(=O)c1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc2[nH]ncc12,JGAMAXSNXMNIAB-UHFFFAOYSA-N
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-rxn:4:207624:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cncc4c3CCN4C(=O)C(C)(C)C)cc2C1,YYVBAOJXIHLLQC-UHFFFAOYSA-N
-rxn:4:207689:224290,Cn1c(=NC(=O)C2=COCCO2)sc2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc21,UQPLEFRORORSER-UHFFFAOYSA-N
-rxn:4:207843:225035,CCN1CCN(C2CCCc3cc(-c4cc(F)ccc4OC4CCCCC4)ccc32)CC1,SMCDINCQTXUXJQ-UHFFFAOYSA-N
-rxn:4:207890:222940,Cc1c(-c2cncc(S(=O)(=O)NC(C)(C)C)c2)cnn1CC12CC3CC(CC(C3)C1)C2,YXBZQHAQCGVWOO-UHFFFAOYSA-N
-rxn:4:207890:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnn(CC45CC6CC(CC(C6)C4)C5)c3C)cc2)CC1,VIKYAYBFINFRMP-NFTOUJQGSA-N
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-rxn:4:207946:224426,COc1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,VSZGKFRGOOLSSG-UHFFFAOYSA-N
-rxn:4:210681:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4=CSC5=NCCN45)cc3)ccn2)CC1,ACNVXLROFYCBLF-UHFFFAOYSA-N
-rxn:4:210691:223659,Cn1ncc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C12CCCSC1O2,DOMZCZGSQXIVKQ-UHFFFAOYSA-N
-rxn:4:211094:224017,CC1Oc2ccc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cc2C2CC(c3ccc(Cl)cc3)=NN12,INFSTDJFXDOALF-UHFFFAOYSA-N
-rxn:4:212492:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CCc3cccnc3C4=C3CCN(C)CC3)cc2F)CC1,GUYIZPWRSNQTRU-UHFFFAOYSA-N
-rxn:4:212492:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)CCc3cccnc3C4=C3CCN(C)CC3)c2)C1,CPGOADMJKVFVER-UHFFFAOYSA-N
-rxn:4:212547:223650,CCOCCN1CCC(Oc2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,BXRGBHRANMWHGO-UHFFFAOYSA-N
-rxn:4:212557:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(CSC2=NCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1,CXEIQZGMVJMNOU-UHFFFAOYSA-N
-rxn:4:212563:224584,CC1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)c2)CC1,GXRLFRGABHFKPI-UHFFFAOYSA-N
-rxn:4:212592:225232,CC1CCN(c2cc(-c3cccc(CCCC4(C(=O)N(C)C)CCN4C)n3)cnc2Cl)CC1,NGFCLSYCULSPJL-UHFFFAOYSA-N
-rxn:4:212604:224769,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cc2)cc1[N+](=O)[O-],AEHFQJUGGPUXRK-UHFFFAOYSA-N
-rxn:4:212619:223127,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccc(CNC4CC4)cc3F)cn2)C1,UEXZVSRQSJUANZ-UHFFFAOYSA-N
-rxn:4:212623:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cc(F)ccc2CC(=O)N2CCCC(COc3ncccn3)C2)c1,QIPPXWMKBBXMGF-UHFFFAOYSA-N
-rxn:4:212627:222999,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3)C2)c1,XNCSPVZEGKTVTF-UHFFFAOYSA-N
-rxn:4:212640:223991,CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc(-c3c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c3F)cc2)c1C,QOOKQXAYYYZPIO-UHFFFAOYSA-N
-rxn:4:212649:224759,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,WUYHTNWFYHPVHW-UHFFFAOYSA-N
-rxn:4:212650:222634,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,YCOCMXRJRFNPGS-UHFFFAOYSA-N
-rxn:4:212666:226034,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(Cl)c(OC)c(C(F)(F)F)c4)cn3)CC2)cc1,QEVZURJVDRLWMM-UHFFFAOYSA-N
-rxn:4:212679:224965,Cc1cnc(OC2CCN(C(=O)CCc3ccccc3-c3cccc(OCC4CCOCC4)c3)CC2)nc1,ZMWTVAVLDIPSIF-UHFFFAOYSA-N
-rxn:4:212698:223940,COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc(-c5ccc6c(c5)OCCN6C(=O)OC(C)(C)C)o4)CC3)n2)cc1,WUBDKRIEGJGZAX-UHFFFAOYSA-N
-rxn:4:212741:226844,CC1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,FKGBUIJPZZROAK-UHFFFAOYSA-N
-rxn:4:212828:224404,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,LDFPBGBEBQGPKA-UHFFFAOYSA-N
-rxn:4:212887:223598,COC(=O)CN1CCC(Cn2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,ZAQHBCXPEOZFCW-UHFFFAOYSA-N
-rxn:4:212917:224971,COC(=O)CN1CCC(Cn2cc(-c3ccc(CN4CCN(C)CC4)cc3)cn2)CC1,AIRZTGUGOPRKRG-UHFFFAOYSA-N
-rxn:4:212967:222584,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,DYEOLXOODVKLAV-UHFFFAOYSA-N
-rxn:4:212971:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2nnc(C3CCCN(C(=O)OCc4ccccc4)C3)s2)c1,LGMLWLZBZGLLRU-UHFFFAOYSA-N
-rxn:4:212988:227474,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(CC[N+](=O)[O-])cc3)n2)CC1,CUNBWCSFTRLLNC-UHFFFAOYSA-N
-rxn:4:213011:223945,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,NFLPGOYUDPUBJI-UHFFFAOYSA-N
-rxn:4:213013:225877,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,YXXPNWMWKPXVOV-UHFFFAOYSA-N
-rxn:4:213053:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cc1C,ZTZDTFITQQDCQN-UHFFFAOYSA-N
-rxn:4:213070:226182,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccnc3C3CCCCC3)cn2)CC1,GCRRYAZBLMKUSL-UHFFFAOYSA-N
-rxn:4:213075:223805,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3OCc3ccc(C(F)(F)F)cc3)n2)CC1,OPZCIKWJRMEKML-UHFFFAOYSA-N
-rxn:4:213081:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2C#N)CC1,BTTSTUXHHPVYMV-UHFFFAOYSA-N
-rxn:4:213088:227244,CCOc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C#N)cc1OC,ZJWQTBNJEHYPKV-UHFFFAOYSA-N
-rxn:4:213089:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(CN4CCC(COc5cnccn5)CC4)c3)c2)CC1,UNMFQQYCLFECRA-UHFFFAOYSA-N
-rxn:4:213115:225228,CN1CCN(c2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc3)c(F)c2)CC1,VZVFNZLXAXRPJR-UHFFFAOYSA-N
-rxn:4:213203:225312,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)CC2)nn1,REECGODDXMEJLK-UHFFFAOYSA-N
-rxn:4:213215:227562,COc1ccc(F)c(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c1OC,GZGPZSJZAWSQNK-UHFFFAOYSA-N
-rxn:4:213215:228453,COC(=O)Cn1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)cn1,SCKSBAPEWLJPAQ-UHFFFAOYSA-N
-rxn:4:213234:224378,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(OC)cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,WCVATHBGWJYWKR-UHFFFAOYSA-N
-rxn:4:213236:225123,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccncc4OCC4CCCCO4)cn3)C2)cc1C,JFSZBGWHQCNIIB-UHFFFAOYSA-N
-rxn:4:213253:226199,CC(C)n1ncc2cc(-c3cnccc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)ccc21,HDPWMAHUDMGMGJ-UHFFFAOYSA-N
-rxn:4:213268:223064,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(C5CCNCC5)nc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,CNLGLTYKDJZUAS-BVZFJXPGSA-N
-rxn:4:213268:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)c1,XGGHBUJSNAXHGV-IDISGSTGSA-N
-rxn:4:213268:225975,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,DHXYFZLRZMKEDB-MBSDFSHPSA-N
-rxn:4:213320:223833,COC(=O)c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,RNQYNGWGRNHYAD-UHFFFAOYSA-N
-rxn:4:213393:225898,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5cnn(CCN6CCOCC6)c5)cc4s3)CC2)c1,VNCGGXMHWJBTAL-UHFFFAOYSA-N
-rxn:4:213395:225451,O=C(Cn1ccc2ccc(-c3ccc(SC4CCCCC4)cc3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,BYCSCIGMKRULMI-UHFFFAOYSA-N
-rxn:4:213396:225763,COC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2)c(C)cc1OC,HRPMHDWBRIUXNT-UHFFFAOYSA-N
-rxn:4:213406:225364,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4cc(S(=O)(=O)N(C)C)c(C)cc4F)cc3s2)CC1,ODACPFNUYUKTJV-UHFFFAOYSA-N
-rxn:4:213480:223000,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5CCCNC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,SXTKUXZKYSCJIT-GHULHWLUSA-N
-rxn:4:213480:223126,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(NC(=O)C5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZBZUNMOQJPBMIF-IVMILYEGSA-N
-rxn:4:213480:225232,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(Cl)c(N5CCC(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JNHMXEAFSVALRD-PCBPTNJRSA-N
-rxn:4:213480:225666,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(N5CCCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KDERVHUPNXYLPF-QPYSNBRXSA-N
-rxn:4:213480:226335,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5COC5)c(C#N)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LPHLLONKAOJLQU-YYFHDEPCSA-N
-rxn:4:213786:222628,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCC3)nc(C3CCCNC3)c2)C1,ZGZOJPZYGJNQAV-UHFFFAOYSA-N
-rxn:4:213803:225875,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(N3CCOCC3)cc2Cl)cn1,DHXBFOHGVVGHET-UHFFFAOYSA-N
-rxn:4:213835:226686,Cc1cnn(C2CCCCO2)c1-c1ccnn1C1CCN(C(=O)OC(C)(C)C)CC1,LBBFYZQMDLMVHH-UHFFFAOYSA-N
-rxn:4:213872:225359,COc1cc(-c2cnn(CC3CN(CC4CCCCC4)C3)c2)c(C(F)(F)F)cc1OC,DRQJELSXONGYOO-UHFFFAOYSA-N
-rxn:4:213880:223064,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(C3CCNCC3)nc2F)CC1,HZJJIQTVKXUADH-UHFFFAOYSA-N
-rxn:4:213882:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnn(CC3CN(CC4CCS(=O)(=O)CC4)C3)c2)c1,YAOXYMTYTFALGJ-UHFFFAOYSA-N
-rxn:4:213890:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ncn2)c1,LYASKQAZSKQQIY-UHFFFAOYSA-N
-rxn:4:213906:224125,O=S(=O)(c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1)N1CCC(Cn2cccn2)CC1,ZOUWYGHFKKEECB-UHFFFAOYSA-N
-rxn:4:213927:222634,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)CC2)nc(C)n1,CONUFQKPDNJZRJ-UHFFFAOYSA-N
-rxn:4:213933:228719,Cc1cnc(C#N)cc1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,MUSXAESQCQYCAE-UHFFFAOYSA-N
-rxn:4:213938:222621,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc(C2CCCNC2)n1,ILTXAMIBMACSBY-UHFFFAOYSA-N
-rxn:4:213938:225158,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1)N1CCSCC1,XRLDBXMPSORXQK-UHFFFAOYSA-N
-rxn:4:213948:225312,CN1CCCN(c2ncc(-c3cnc(OC4CCN(CC5CCCC5)CC4)nc3)cn2)CC1,WLLADKLOHHOYIE-UHFFFAOYSA-N
-rxn:4:213954:227057,COc1cccc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)c1C1CC1,FNQYJLJBOHTGKB-UHFFFAOYSA-N
-rxn:4:213971:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,UBFRCEIERJPZCU-UHFFFAOYSA-N
-rxn:4:213982:224819,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)ncn1,WZNNYQNOYREHAJ-UHFFFAOYSA-N
-rxn:4:213988:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,WLMMWTXQBWSMIY-UHFFFAOYSA-N
-rxn:4:214002:222723,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)CC1,LUBWRWVBTUBYFU-UHFFFAOYSA-N
-rxn:4:214025:222724,CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,MRYOTQUNSMOPKT-UHFFFAOYSA-N
-rxn:4:214074:224171,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCCC4)c(F)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,BSJZTELACFTPGT-UHFFFAOYSA-N
-rxn:4:214153:225448,Cc1ccc(OC2CCCC2)c(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c1,CZDMGJPTRVINNH-QGZVFWFLSA-N
-rxn:4:214219:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCC(Oc2nc3ccc(F)cc3s2)CC1,MBQNUWWFAMRZIP-UHFFFAOYSA-N
-rxn:4:214276:225984,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnc(Cl)c(N5CCOCC5)c4)cnc3[nH]2)CC1,GWPRAJZEWYTKTF-UHFFFAOYSA-N
-rxn:4:214322:224881,O=C(c1ccc(-c2cccc(CN3CCCCCC3)c2)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,HXYCUWJLBAMKAD-UHFFFAOYSA-N
-rxn:4:214362:222635,CCn1cc(-c2nc(-c3ccc(-c4cccc([C@H](C)NC(=O)OC(C)(C)C)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,PWKDUWNNVFWBHC-VWLOTQADSA-N
-rxn:4:214435:223504,CCOC(=O)c1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n(C)n1,XEHSUVOZVKCOGP-UHFFFAOYSA-N
-rxn:4:214709:224316,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)cn2)CC1,NBXFPAMIWXDMCW-UHFFFAOYSA-N
-rxn:4:214710:224407,CCN1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)c2)CC1,BNBPUTAYVIYYEM-UHFFFAOYSA-N
-rxn:4:214745:224672,CCN1CCN(c2ccc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)c(Cl)c2)CC1,TWYKJZIUNXVKRM-UHFFFAOYSA-N
-rxn:4:214763:222614,CCCN1CCN(c2ncc(C)cc2-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)CC1,OXONUVWHKSHBIM-UHFFFAOYSA-N
-rxn:4:214767:225008,COC1CCN(c2ccc(-c3cccc([N+](=O)[O-])c3N3CCC(N(C)C)CC3)cc2)CC1,PKMUQXBFCJLBFO-UHFFFAOYSA-N
-rxn:4:214771:225047,Cc1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(N(C)C)CC2)cnc1N1CCC(C)CC1,YTHVPGLKNBXLRU-UHFFFAOYSA-N
-rxn:4:214772:224670,CN1CCN(Cc2ccc(F)c(-c3cnc(CC4CCCN(S(C)(=O)=O)CC4)cn3)c2)CC1,PTYGCAPREJKJDE-UHFFFAOYSA-N
-rxn:4:214774:222604,COc1ccc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,KVAFMUPUDNIMJY-UHFFFAOYSA-N
-rxn:4:214775:224425,CCCC1CCC(c2ccccc2-c2cnc(OC3CCN(C4CCSC4)CC3)nc2)CC1,GHMMLZYKGGBXMX-UHFFFAOYSA-N
-rxn:4:214794:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cncc(C4CCCN(Cc5ccccc5)C4)n3)cc2)C1,NFCZPDSYRIXQAJ-UHFFFAOYSA-N
-rxn:4:214805:224570,CC(c1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)N1CCN(C)CC1,RWVVBDFZQBPDGB-UHFFFAOYSA-N
-rxn:4:214818:226259,CCCCOc1ccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1Cl,UFLMZXTYAXSUPP-UHFFFAOYSA-N
-rxn:4:214819:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,LIAQOLDFKQCWRX-UHFFFAOYSA-N
-rxn:4:214820:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cc1C,DJSTTYKGSQDKBK-UHFFFAOYSA-N
-rxn:4:214821:226597,CC(C)Oc1c(F)cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)cc1F,VYVMJUCWRHXPPY-UHFFFAOYSA-N
-rxn:4:214828:223992,Cc1ccc(-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,JKHYWXAGIKPAGK-UHFFFAOYSA-N
-rxn:4:214829:226686,Cc1cnn(C2CCCCO2)c1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,XNKKCZVEWPVQIV-UHFFFAOYSA-N
-rxn:4:214836:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,HBZHHWQLFQTCRF-UHFFFAOYSA-N
-rxn:4:214837:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2F)CC1,KRJWSKLPJMEYCQ-UHFFFAOYSA-N
-rxn:4:214837:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1Cl,AXWUFGRMNYNUAC-UHFFFAOYSA-N
-rxn:4:214838:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2F)CCO1)N1CCOCC1,XAJGNJUZAMNNOF-UHFFFAOYSA-N
-rxn:4:214854:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnc(OC2CCN(C3CCOCC3)CC2)nc1,IEROCKAELNDQGT-UHFFFAOYSA-N
-rxn:4:214854:225677,Fc1nc(C2CCCCC2)ccc1-c1cnc(OC2CCN(C3CCOCC3)CC2)nc1,NEOINUKQEYXGOC-UHFFFAOYSA-N
-rxn:4:214866:222546,O=C(C1CCCN(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1)N1CCOCC1,UXBKFYCOQLNIMY-UHFFFAOYSA-N
-rxn:4:214871:227878,CCCCCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)s1,RDFGUUYNLNVIFC-UHFFFAOYSA-N
-rxn:4:214875:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,GWNHKEXYESSFTP-UHFFFAOYSA-N
-rxn:4:214881:222614,O=C(C1CCN(c2ncccc2-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)CC1)N1CCC(F)(F)CC1,DMKHKDXYOPPTLL-UHFFFAOYSA-N
-rxn:4:214888:225010,O=C(c1cncc(-c2ccc(F)c(CN3CCCCC3)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,VGYVXCRAAGNVQI-UHFFFAOYSA-N
-rxn:4:214889:225549,CCCCC(=O)c1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCCC3)c2)ccc1F,JUMARFUJEJTTFU-UHFFFAOYSA-N
-rxn:4:214995:223712,CCOC(=O)C1CCc2c(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)nnn2C1,RHAMDHMDVDQXIF-UHFFFAOYSA-N
-rxn:4:215056:222923,Cc1ccc(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)cc1S(=O)(=O)NC1CC1,SSJDOIWBGHXPPY-UHFFFAOYSA-N
-rxn:4:215166:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3C4CCC3CC(n3cccn3)C4)c2)C1,XEBVZSMRELMDBI-UHFFFAOYSA-N
-rxn:4:215197:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc1S(=O)(=O)NC1CCCC1,XAMMDMDZRGFTCJ-UHFFFAOYSA-N
-rxn:4:215234:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4oc(C(=O)N5CCC(c6nc7ccccc7[nH]6)CC5)c(C)c4c3)cc2C)CC1,PRAUXKUYSOUXFP-UHFFFAOYSA-N
-rxn:4:215295:226152,COc1cc(C2CC2)cc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1C,HAKWRGFUQULBAJ-UHFFFAOYSA-N
-rxn:4:215301:222743,CC(c1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cc1)N1CCC(O)CC1,NOKFURZHNBQHBN-UHFFFAOYSA-N
-rxn:4:215788:223923,CN(C(=O)c1cc(-c2cnc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1F)C1CCCCC1,ZJQSMHCKBMJRQC-UHFFFAOYSA-N
-rxn:4:215798:222584,C=C1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2C#N)CC1,HGDUBIJEQYNVJW-UHFFFAOYSA-N
-rxn:4:215845:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cn3)c3ccccc23)CC1,VNLJGJURJMGYRF-UHFFFAOYSA-N
-rxn:4:215848:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnn(C3CCN(S(C)(=O)=O)CC3)c2)CC1,LXJFBKCEOPULME-UHFFFAOYSA-N
-rxn:4:215848:224196,CCN1CCN(Cc2cc(F)cc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)c2)CC1,NOPPGGTYMKVRFW-UHFFFAOYSA-N
-rxn:4:215848:224198,CCN1CCN(Cc2ccc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)c(F)c2)CC1,KIVNCNLLUMOOMC-UHFFFAOYSA-N
-rxn:4:215861:224325,CN1CCN(C(=O)c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cnc2Cl)CC1,XYDQEOMJXMCWDO-UHFFFAOYSA-N
-rxn:4:215862:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(Cl)cc3C(=O)N3CCN(C)CC3)c2)CC1,XQGZFWYSBQREIC-UHFFFAOYSA-N
-rxn:4:215866:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3C(=O)N3CCN(C)CC3)cc2)CC1,AHJWXENHCGIYOX-UHFFFAOYSA-N
-rxn:4:215866:224325,CN1CCN(C(=O)c2ncc(Cl)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,IOYDMHCXWYONHH-UHFFFAOYSA-N
-rxn:4:215867:224325,CN1CCN(C(=O)c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2Cl)CC1,XKHRNGBTECFLBB-UHFFFAOYSA-N
-rxn:4:215876:223787,CCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,XZEZYUIHECBQOF-UHFFFAOYSA-N
-rxn:4:215898:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cn2)CC1,XMDNFFMUDJAUTR-UHFFFAOYSA-N
-rxn:4:215908:224312,CN1CCN(C(=O)c2cc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)ccc2F)CC1,NPHWMXITIVZDCH-UHFFFAOYSA-N
-rxn:4:215912:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc21,QBCFGIYRWOJLIZ-UHFFFAOYSA-N
-rxn:4:215912:224498,CCN1CCN(Cc2ccccc2-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)CC1,PGSOPMBYEQLUDO-UHFFFAOYSA-N
-rxn:4:215912:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c2)CC1,AGCROCGZNAELMC-UHFFFAOYSA-N
-rxn:4:215939:223508,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)CC1,IMNCAPLPINQEST-UHFFFAOYSA-N
-rxn:4:215952:223841,CCN1CCN(c2nccc(C)c2-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)CC1,ORJVEDDVFOYDQE-UHFFFAOYSA-N
-rxn:4:215953:222588,CN(C)C1CCN(c2ccc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)cn2)CC1,BPJMMKVLDYTNGC-UHFFFAOYSA-N
-rxn:4:215969:224425,CCCC1CCC(c2ccccc2-c2cc(Cl)cnc2N2CCN(C3CCC3)CC2)CC1,RXRJPUJUEBZVLD-UHFFFAOYSA-N
-rxn:4:215990:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCN(C5CCN(C)CC5)CC4)cc3)c2)CC1,XHWQGJMZLTVDEU-UHFFFAOYSA-N
-rxn:4:217131:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(F)CC4)nc3)ccc2OC)CC1,BHUBQGDPIHSUAW-UHFFFAOYSA-N
-rxn:4:217204:223845,Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc(N2CCC(C)CC2)n1,ZSNPGMJVOUNIDW-UHFFFAOYSA-N
-rxn:4:217885:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4ncc(N5CCC(F)(F)CC5)nc4c3)cc2C)CC1,HONKQYVGXQIMTR-UHFFFAOYSA-N
-rxn:4:217889:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)CC1,PTQKQVNWQYFTTI-UHFFFAOYSA-N
-rxn:4:217905:223170,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCNC5)nc4)ccc2OC32CCN(C)CC2)o1,WKVCEYQQEMUGSI-UHFFFAOYSA-N
-rxn:4:218568:224650,CC(C)Oc1ccc(C(=O)N2CC(Cn3cc(-c4cc(F)ccc4OCC4CCOCC4)cn3)C2)cn1,FEBARLWOYMVWFS-UHFFFAOYSA-N
-rxn:4:218589:222538,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)C2)cc1,DZDUVEUSNWEEEO-UHFFFAOYSA-N
-rxn:4:218605:224791,COc1ncccc1C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)OC(C)C)cc3[N+](=O)[O-])cn2)CC1,JMUSJSOBTQJQJN-UHFFFAOYSA-N
-rxn:4:218666:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cn2)CC1,AKJRYIOCQGIRJZ-UHFFFAOYSA-N
-rxn:4:218666:224718,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCOCC5)nc4)c3)C2)nn1,BWHOALNZDULJTB-UHFFFAOYSA-N
-rxn:4:218675:226236,CCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,SBFARVVFUCTXAA-UHFFFAOYSA-N
-rxn:4:218700:224959,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OCC5CCCCO5)cc4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,RFYGMZAPSSESCP-UHFFFAOYSA-N
-rxn:4:218700:226982,CCCCOc1ccccc1-c1ccc(C2=NN(C(=O)CN3CCN(CC)C(=O)C3=O)C(c3ccc(F)cc3)C2)cc1,IJRASZSCAUMOSI-UHFFFAOYSA-N
-rxn:4:218704:225984,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3)n[nH]2)CC1,BSVBSHHLTCGEDF-UHFFFAOYSA-N
-rxn:4:218755:224671,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cccc(-c5nnc(C(C)(C)C)o5)c4)cc3n(CC#N)c2=O)CC1,NBMMHHVWONAKPV-UHFFFAOYSA-N
-rxn:4:218767:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)Cc4cn(C)c5ccccc45)C3)nc2)cc1,JDJXVOHICFWHCK-UHFFFAOYSA-N
-rxn:4:218768:226619,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cnc(N2CCCC2)nc1C,CCXWUIYYTXPHDE-UHFFFAOYSA-N
-rxn:4:218818:223916,COc1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)c(C(=O)N2CC(Cn3ccnn3)C2)c1,DMUVWLPFUVRTPP-UHFFFAOYSA-N
-rxn:4:218824:224952,CN(CC1CN(c2ncc(-c3cccc(CCN4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,FOQUBUFEXBFTIO-UHFFFAOYSA-N
-rxn:4:218867:226643,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCOCC4)nc3)c2)no1,NSPQUVCFNHBSNE-UHFFFAOYSA-N
-rxn:4:218867:227611,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnn3C3CCCCO3)c2)no1,MSSWJDLRSRBBAX-UHFFFAOYSA-N
-rxn:4:218885:223812,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,WGAKFMCBHVTOGT-UHFFFAOYSA-N
-rxn:4:218886:223812,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,JABWHBHNTUPFLL-UHFFFAOYSA-N
-rxn:4:218899:225050,CC1CCN(c2cc(F)cc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c2)CC1,KYMYERJWASMGGG-UHFFFAOYSA-N
-rxn:4:218899:225055,CC1CCCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(Cl)c2)C1,XACGUANZWVCIHI-UHFFFAOYSA-N
-rxn:4:218899:225056,CC1CCCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(F)c2)C1,INCAUEGXSIQWIM-UHFFFAOYSA-N
-rxn:4:218904:223974,Cc1nc(CN2CCC(COc3ncc(-c4ccc(N5CCC(C)CC5)cc4C(F)(F)F)cn3)CC2)co1,IRPIZHRILWSYRT-UHFFFAOYSA-N
-rxn:4:218922:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(OCC3CCN(c4ncccc4C(F)(F)F)CC3)nc2)c1,XZTCIGUKQVCSFF-UHFFFAOYSA-N
-rxn:4:218964:222716,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)cn3)C2)CC1,DGEPQZMEOOPKAF-UHFFFAOYSA-N
-rxn:4:218970:223945,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,ZQKXCVDTLLZFED-UHFFFAOYSA-N
-rxn:4:218972:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C(=O)c4sc(C)nc4C)C3)nc2)CC1,MHUMOXMRYDSYSE-UHFFFAOYSA-N
-rxn:4:218976:225829,CC1CCN(c2ncc(-c3cnc(OC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)cn2)CC1,XIUWCAXJRBWBJE-UHFFFAOYSA-N
-rxn:4:218991:224686,Cn1cc(-c2ccc(C(=O)N3CCCCC3)cc2F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,ZATCIJRRZRXQIA-UHFFFAOYSA-N
-rxn:4:218995:223606,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)o3)CC2)n1,FQSAEMFMBOYFRC-UHFFFAOYSA-N
-rxn:4:218998:226993,CCCOc1ccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1C,PBUOLHHGJOYKBH-UHFFFAOYSA-N
-rxn:4:219015:226309,CCOC(=O)c1cc(C)cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,STPBGFHDPLGWHG-UHFFFAOYSA-N
-rxn:4:219016:225745,CC(C)Cc1ccc(-c2cncc(C(=O)N3CCCC(N(C)c4ncccc4C(F)(F)F)C3)c2)cc1[N+](=O)[O-],CPQTVUZYXCGENJ-UHFFFAOYSA-N
-rxn:4:219071:224485,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5ccn([Si](C(C)C)(C(C)C)C(C)C)c5)cc4)CC3)n[nH]2)cc1,GYAUCQNPWMVVFR-UHFFFAOYSA-N
-rxn:4:219119:223093,CC(=O)C(C)n1c(-c2cncc(NS(=O)(=O)C(C)C)c2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,JTIXAXPGPJIGMT-UHFFFAOYSA-N
-rxn:4:219155:223598,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)c2)C3)nc1,YZDSZUJASAFGNU-UHFFFAOYSA-N
-rxn:4:219253:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccccc2C(=O)N2CC(Cn3ccnn3)C2)C1,RMKLWKQTBASORE-UHFFFAOYSA-N
-rxn:4:219281:223294,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1csc(N2CCNCC2)n1,BUZOQNFXECPSFK-UHFFFAOYSA-N
-rxn:4:219297:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnccc2OC2CCN(c3cc(C#N)ccn3)C2)CC1,NKRZNQXZAHIYGI-UHFFFAOYSA-N
-rxn:4:219353:225709,CN(C)CCCOc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cn1,ZKHPOCMTAIZRHH-UHFFFAOYSA-N
-rxn:4:219365:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCCC(Oc5ncc(F)cn5)C4)c3)ccc2C)CC1,OVNFRVYESFGAPS-UHFFFAOYSA-N
-rxn:4:219372:225984,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,HVZVEBZJVCJLOK-UHFFFAOYSA-N
-rxn:4:219374:225189,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(CN4C(=O)CCC4=O)c3)nn2)CC1,PBAUJYPERSZIFF-UHFFFAOYSA-N
-rxn:4:219383:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c2Cl)CC1,WPTWVIVJPACBSI-UHFFFAOYSA-N
-rxn:4:219388:224462,O=C(c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MTAOZHSFWUQDFY-UHFFFAOYSA-N
-rxn:4:219388:225050,CC1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)c2)CC1,MNNWPVJMYORVAH-UHFFFAOYSA-N
-rxn:4:219404:225943,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)s3)n2)CC1,INNTYSZSWVMUHB-UHFFFAOYSA-N
-rxn:4:219419:225173,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)N5CCCC5)cc4F)o3)CC2)cc(C(F)(F)F)n1,JAHHRTVYICLPLW-UHFFFAOYSA-N
-rxn:4:219431:223541,O=S(=O)(c1cc(F)c(F)cc1-c1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1)N1CCC2(CC1)OCCO2,CICMEQQWHSLESU-UHFFFAOYSA-N
-rxn:4:219432:223574,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cn1C,CIFIZNWSJTURRL-UHFFFAOYSA-N
-rxn:4:219432:224810,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cnc(N4CCCC4)c(C(F)(F)F)c3)C2)cn1C,KTVPULGUKNAPEE-UHFFFAOYSA-N
-rxn:4:219478:225055,CC1CCCN(c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(S(=O)(=O)c5nncn5C)CC4)c3)c(Cl)c2)C1,GQSBUEIHYQSYGW-UHFFFAOYSA-N
-rxn:4:219490:224649,Cn1ncc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1-c1cc(F)ccc1OCC1CCCCO1,PCYLRCXXBIJFSM-UHFFFAOYSA-N
-rxn:4:219497:228331,CCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)c1Cl,ROCMXUXEYIJWKM-UHFFFAOYSA-N
-rxn:4:219499:226101,CCN(CC)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(C)c1,RHJZFBUGCGDQNF-UHFFFAOYSA-N
-rxn:4:219501:224818,CSc1ncc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,ZAWKKMRPXMVAND-UHFFFAOYSA-N
-rxn:4:219501:228361,CSc1ncc(-c2cc(N(C)C)ncc2F)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,VNNNWOFHZAEHTJ-UHFFFAOYSA-N
-rxn:4:219506:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1,QIZCGRXLEAIWMV-UHFFFAOYSA-N
-rxn:4:219506:225654,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cn2)C1,LIRIVQTVLNSXJF-UHFFFAOYSA-N
-rxn:4:219516:223294,CN1CC(CN2CCC(Oc3ncc(-c4csc(N5CCNCC5)n4)cn3)CC2)CC1=O,VTPURSFCTJXSMM-UHFFFAOYSA-N
-rxn:4:219517:223182,CCNS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)cc1,UKBRDRFYAMILOT-UHFFFAOYSA-N
-rxn:4:219529:222725,CCNS(=O)(=O)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)c(C(F)(F)F)c1,QPJJIFMQSQPVQU-UHFFFAOYSA-N
-rxn:4:219535:225050,CC1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)CC1,DTIVKHKVWVOWHF-UHFFFAOYSA-N
-rxn:4:219538:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cc1,FJISSJXOOJGARC-UHFFFAOYSA-N
-rxn:4:219540:223809,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)CC2)ncn1,ATLIVKOIFHGYKE-UHFFFAOYSA-N
-rxn:4:219543:225833,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)CC2)n1,DEFJEWVDRMMHER-UHFFFAOYSA-N
-rxn:4:219543:225849,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)cc4F)cc3)CC2)n1,OUNJAFIIZADFRI-UHFFFAOYSA-N
-rxn:4:219543:225859,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(Cl)c4)cc3)CC2)n1,RYMIFWPCZGOBDI-UHFFFAOYSA-N
-rxn:4:219562:227205,O=C(c1cncc(-c2cccc3c2OCCCO3)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,JSVHGJDELXQYJB-UHFFFAOYSA-N
-rxn:4:219565:225849,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)cc4F)cc3)CC2)n1,AWNGHJVWIBYXMP-UHFFFAOYSA-N
-rxn:4:219653:225212,CN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,JDKSEPLDSHHZPN-UHFFFAOYSA-N
-rxn:4:219654:223958,CCN1CCN(C(=O)c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2F)CC1,YIDDVKPTPYCWHW-UHFFFAOYSA-N
-rxn:4:219654:225904,CON(C)C(=O)c1ccc(F)c(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)c1,NSSRDNKUKARCKG-UHFFFAOYSA-N
-rxn:4:219664:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc2nc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)sc2c1,DAIJMBRMTOYVHK-UHFFFAOYSA-N
-rxn:4:219690:222634,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(OCCNC5CCCC5)c(F)c4)cc32)CC1,NYEYBLUIGNYAAU-UHFFFAOYSA-N
-rxn:4:219707:225975,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccnc(N5CCOCC5)c4Cl)c(Cl)cc23)CC1,WWZVQBAZIYXTOL-UHFFFAOYSA-N
-rxn:4:219750:224252,COc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,AZXYJMGWYWCSTB-UHFFFAOYSA-N
-rxn:4:219762:227994,CC(=O)C1=C(c2ccc(-c3cc(C(C)C)ccc3Cl)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,QPOVPYJIVDGTRA-UHFFFAOYSA-N
-rxn:4:219801:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(OCc4nnn[nH]4)ccc3F)cc2)CC1,ZZOAGXXKBLTAKA-UHFFFAOYSA-N
-rxn:4:219880:222876,CSc1ncc(-c2ccc(C(=O)NC(C)(C)C)c(F)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,GHMQVFDLMYQWCU-UHFFFAOYSA-N
-rxn:4:219880:225228,CSc1ncc(-c2ccc(N3CCN(C)CC3)cc2F)c(N2CCN(S(C)(=O)=O)CC2)n1,IFFIOFWZAMRKLE-UHFFFAOYSA-N
-rxn:4:219954:223897,Cc1ccc(-c2cncc(C(=O)N3CCCCC3c3ccnn3C)c2)cc1OCCCN1CCOCC1,VQBMOYLOARZNPA-UHFFFAOYSA-N
-rxn:4:220122:223841,Cc1cc(F)c(-c2cnccc2OC2CCN(c3ncnc4c3CCC4)C2)cc1S(=O)(=O)N1CCN(C)CC1,BYHGEUGJKNYSBX-UHFFFAOYSA-N
-rxn:4:220136:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cn2)CC1,YFKODMGJQQDLIW-UHFFFAOYSA-N
-rxn:4:220136:225052,CC1CCCCN1c1cc(F)cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)c1,DIRLYAAYAPHGSE-UHFFFAOYSA-N
-rxn:4:220136:225059,CC1CCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(Cl)c2)CC1,YUYRQQTVCFPNLG-UHFFFAOYSA-N
-rxn:4:220136:225061,CC1CCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(F)c2)CC1,ULTMPRDCZHMMSX-UHFFFAOYSA-N
-rxn:4:220136:225212,CN1CCN(c2cc(F)cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c2)CC1,VORUFIOMTVDOTJ-UHFFFAOYSA-N
-rxn:4:220136:225213,CN1CCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(Cl)c2)CC1,TUFZNTKALOBCTE-UHFFFAOYSA-N
-rxn:4:220136:225228,CN1CCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(F)c2)CC1,ZUIPYJJGSQHDHH-UHFFFAOYSA-N
-rxn:4:220137:224668,CCN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c2)CC1,GNXXSUVWWXUFBV-UHFFFAOYSA-N
-rxn:4:220137:225050,CC1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c2)CC1,RYWDXXQSBWLOER-UHFFFAOYSA-N
-rxn:4:220162:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(SC)nc3N3CC(N4CC5CCCC5C4)C3)c(F)c2)CC1,JBJFLGLISAXKLW-RNLDSTSYSA-N
-rxn:4:220162:225809,CSc1ncc(-c2cc(F)ccc2OC2CCOC2)c(N2CC(N3CC4CCCC4C3)C2)n1,QURIXYXMCPIBBT-UHFFFAOYSA-N
-rxn:4:220222:222826,Cc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,CZWIVVUCBVDEGR-UHFFFAOYSA-N
-rxn:4:220405:224188,CC(C)N(C(=O)c1ccc(-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)c(Cl)c1)C(C)C,YXQVCFYOZIJAFD-UHFFFAOYSA-N
-rxn:4:220415:224372,O=C(c1cc(-c2cnc(N3CCN(C4CCC4)CC3)nc2)cc([N+](=O)[O-])c1)N1CCCC1,RDSRVBIKSGJEEC-UHFFFAOYSA-N
-rxn:4:220425:222430,Cc1nc(N2CCN(C)CC2)c(C#N)c(C)c1-c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,NBRPKSHUJBAJHJ-UHFFFAOYSA-N
-rxn:4:220430:222890,COc1cc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cc(C2CCCNC2)n1,FGJKVQLLYFBWTO-UHFFFAOYSA-N
-rxn:4:220430:224254,CC1CCCN(C(=O)c2cc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)ccc2F)C1,OUQDRCWFOBGGPW-UHFFFAOYSA-N
-rxn:4:220430:225219,CC1CCCCN1c1cc(F)c(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cn1,JRAAKMANPVVDRT-UHFFFAOYSA-N
-rxn:4:220533:224590,CC1CCN(Cc2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c(F)c2)CC1,WDIGKYOOPXSTTE-UHFFFAOYSA-N
-rxn:4:220533:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,GOUAPZSCAUUDGK-UHFFFAOYSA-N
-rxn:4:221100:222681,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cccc(CNC(=O)OC(C)(C)C)c3F)cn2)CC1,YLXYVSMPPGHSAB-UHFFFAOYSA-N
-rxn:4:221100:224941,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(CCN4CCOCC4)cc3)cn2)CC1,SQHTWWZIJXJYNR-UHFFFAOYSA-N
-rxn:4:221110:223186,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnn(C5CCCCO5)c4)cn3)CC2)CC1,NZLVZOQBAUTXLK-UHFFFAOYSA-N
-rxn:4:221110:229000,CCc1ccncc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,PPQFZMIWSQGGKU-UHFFFAOYSA-N
-rxn:4:221172:222634,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)ccc1=O,GXQZIKYQNVDBJU-UHFFFAOYSA-N
-rxn:4:221175:226503,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)N(C)OC)c4)cn3)C2)C(=O)C1=O,MLDTYKSNUFSXFT-UHFFFAOYSA-N
-rxn:4:221182:228792,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc(SC)c(F)c4)cn3)CC2)C1=O,GJZDPYAGYAGYNC-UHFFFAOYSA-N
-rxn:4:221198:225898,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)CC2)nn1,MEAQWYJBYJQSBZ-UHFFFAOYSA-N
-rxn:4:221243:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2cc3c(=O)n(CC(=O)N(C)C4CCCCC4)ncn3n2)cc1,NPGRMNPWKZMLOR-UHFFFAOYSA-N
-rxn:4:221245:223812,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)nn2c1C,GNXLYBVASOYTKU-UHFFFAOYSA-N
-rxn:4:221365:223895,CCN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(c5nccnc5C)C4)nc3)cc2)CC1,CUDDSRVLPMVQLG-UHFFFAOYSA-N
-rxn:4:221374:222584,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1=O,CKLGGWQBOPSTEO-UHFFFAOYSA-N
-rxn:4:221381:225297,Cc1nc(N2CCN(C(=O)c3cncc(-c4cccc(S(=O)(=O)N5CCCC5)c4)c3)CC2)cc(C(F)(F)F)n1,RXOPNHPXNDQFPG-UHFFFAOYSA-N
-rxn:4:221393:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1,RHBLHAQHGYZFEE-UHFFFAOYSA-N
-rxn:4:221395:223895,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2)CC1,JPBSLDYSXPQHFY-UHFFFAOYSA-N
-rxn:4:221395:224126,CCN1CCN(C(C)c2cccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,GOSRJOYHVNUJJE-UHFFFAOYSA-N
-rxn:4:221412:223945,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)n1,JDOQPSMEDUXQNJ-UHFFFAOYSA-N
-rxn:4:221415:222967,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)NCC(C)C)c4)cc3)CC2)n1,MIXHWQJNFRJNLR-UHFFFAOYSA-N
-rxn:4:221433:226027,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(F)c(S(=O)(=O)N(C)C)c4)cc3)CC2)n1,WPBDVVJYRCGJGD-UHFFFAOYSA-N
-rxn:4:221440:225219,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5C)cc4F)cc3)CC2)n1,JWSRIIBFDORTSN-UHFFFAOYSA-N
-rxn:4:221440:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1,MEWKIJYQKXFYPK-UHFFFAOYSA-N
-rxn:4:221440:225752,COC(=O)c1cnc(C(C)C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,AQGCPZTYEQFNDM-UHFFFAOYSA-N
-rxn:4:221449:228022,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)ccc4C(C)C)cc3)CC2)n1,CKUHDDWCEBWJSN-UHFFFAOYSA-N
-rxn:4:221453:224325,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc3)CC2)n1,KAWWWVDJBBRBEE-UHFFFAOYSA-N
-rxn:4:221456:228209,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)c(C)cc4Cl)cc3)CC2)n1,GPAWIDDCSIFTBJ-UHFFFAOYSA-N
-rxn:4:221571:222432,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)cc1,VXWXQOHADLTPNO-UHFFFAOYSA-N
-rxn:4:221614:223748,COCn1nc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)nc1N1CCCN(C)CC1,ZKEVTSCORFHXFH-UHFFFAOYSA-N
-rxn:4:221645:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)CC1,IJJILGOHIYPVDL-UHFFFAOYSA-N
-rxn:4:221731:222829,CNS(=O)(=O)c1ccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c(C(F)(F)F)c1,XDIYRFRBHXDQJA-UHFFFAOYSA-N
-rxn:4:221913:222743,CC(c1ccc(-c2cccnc2OC2CCN(C(=O)CSc3nnnn3C)CC2)cc1)N1CCC(O)CC1,GWCMLEVGTGTAHX-UHFFFAOYSA-N
-rxn:4:221983:223871,Cc1cc(C)n2c(-c3cccc(C(=O)N(C)Cc4ccccc4)c3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,KZPDPRRHQCVPGA-UHFFFAOYSA-N
-rxn:4:222002:223901,CC1CCN(CCOc2ccc(-c3cnc(N4CCC(N(C)c5ncc(Cl)cn5)CC4)c(C#N)c3)cc2Cl)CC1,VPWGZWMTZSKWIH-UHFFFAOYSA-N
-rxn:4:222021:223951,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cn3)CC2)c1F,BWVDWMNUOHHOGT-UHFFFAOYSA-N
-rxn:4:222049:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1C(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1,XBSLQIJOKZJUEF-UHFFFAOYSA-N
-rxn:4:222058:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1,IQSLACZYAQCTBD-UHFFFAOYSA-N
-rxn:4:222089:224605,CCN(CC)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(OC)c1,STPIXLUMUTXZFM-UHFFFAOYSA-N
-rxn:4:222102:223569,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc7c(ccn7[Si](C(C)C)(C(C)C)C(C)C)c6F)cc5)no4)C3C2=O)cc1,JPROAVKNWUXYLQ-UHFFFAOYSA-N
-rxn:4:222103:222674,Cc1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(-c6cccc(C(=O)NC7CCCCC7)c6F)cc5)C(=O)C43)n2)cc1,QUOSUBMVFPLAKH-UHFFFAOYSA-N
-rxn:4:222107:223846,Cc1cc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,ALKCOSVWPVZBBY-UHFFFAOYSA-N
-rxn:4:222108:225053,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCCCC7C)cc6F)cc5)no4)C3C2=O)cc1F,MMRLDIDGUAVDHS-UHFFFAOYSA-N
-rxn:4:222108:225805,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCOCC7)s6)cc5)no4)C3C2=O)cc1F,ZEOUVDJVLNPTAI-UHFFFAOYSA-N
-rxn:4:222124:226485,COCCOc1cc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)ccc1Cl,FOIGMFXTRHZUFP-UHFFFAOYSA-N
-rxn:4:222156:222628,Fc1c(C2CC2)ncnc1N1CCN(c2ncc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cn2)CC1,KXNQHLWHYMXXTN-UHFFFAOYSA-N
-rxn:4:222252:222656,CSc1ncc(-c2ccc(C(=O)NC3CCCCC3)c(F)c2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,WNGLQFKRDAODKZ-UHFFFAOYSA-N
-rxn:4:222302:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)c2)CC1,AUQVGCPJQMXDOM-UHFFFAOYSA-N
-rxn:4:222320:222389,CN(C)c1ccnc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,CIJRVNCGSVMUNF-UHFFFAOYSA-N
-rxn:4:222331:225294,CCN1CCN(c2ncc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cn2)CC1,WZKJWLQLRONMAU-UHFFFAOYSA-N
-rxn:4:222333:224691,O=C(c1ccc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cc1)N1CC2(COC2)C1,PMQMLKOPAHIAEC-UHFFFAOYSA-N
-rxn:4:222334:225208,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCCC(C)C5)nc4C)cn3)CC2)n1,NNGIHJYDPHXFGK-UHFFFAOYSA-N
-rxn:4:222337:226652,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C)nn4C4CCCCO4)cn3)CC2)n1,IIEOUNPDORBFRE-UHFFFAOYSA-N
-rxn:4:222338:225688,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cnc(C5CCCCC5)c(Cl)c4)cn3)CC2)n1,MKELYHAFDNDOIS-UHFFFAOYSA-N
-rxn:4:222366:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)nc3)ccc2C)CC1,DMTWKNJYYUHLPQ-UHFFFAOYSA-N
-rxn:4:222366:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)nc3)cc2F)CC1,ZGMMLXULIAESJZ-UHFFFAOYSA-N
-rxn:4:222380:223579,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7C)cc6)cn5)CC4C3)ncnc21,BNDDMBYYXIRBIN-UHFFFAOYSA-N
-rxn:4:222389:189898,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1CN1CCCC1,QNVZMPZHQQSSBB-UHFFFAOYSA-N
-rxn:4:222389:207068,CN1CCN(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2C2CC2)CC1,IDIUDYGEIKOMOG-UHFFFAOYSA-N
-rxn:4:222404:184219,CC(C)(C)OC(=O)n1c(-c2ccc(C3NC(=O)NC3=O)cc2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,ACWQZYUSCZRWBQ-UHFFFAOYSA-N
-rxn:4:222513:187055,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(OCC2CCCCC2)cc([N+](=O)[O-])c1,POULFJOMNJVNPN-UHFFFAOYSA-N
-rxn:4:222621:178597,CC(C)Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCCNC2)n1,CXLJZSJPVLFHKG-UHFFFAOYSA-N
-rxn:4:222622:194734,CCC(C)c1cc(-c2ccc3cc(C4([N+](=O)[O-])COC(C)(C)OC4)ccc3c2)cc(C2CCCNC2)n1,KKBNRYTYZGCDKA-UHFFFAOYSA-N
-rxn:4:222630:178467,CCOC(=O)C1=Cc2cc(Cl)cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2OC1,PSIRIROLZXQPNH-UHFFFAOYSA-N
-rxn:4:222630:214074,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,YOIDVKIZWSOCTJ-UHFFFAOYSA-N
-rxn:4:222822:203937,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1S(=O)(=O)NC1CC1,BRQBQSMFSQFSTJ-UHFFFAOYSA-N
-rxn:4:222822:204780,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc1S(=O)(=O)NC1CC1,GYOKOBMIYIUYLQ-UHFFFAOYSA-N
-rxn:4:223080:204693,CC(C)NS(=O)(=O)c1ccc(-c2cccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c2)cc1,OAUDTWHUGDFPTG-UHFFFAOYSA-N
-rxn:4:223570:175377,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc3)c(F)ncc21,HGUKQVZUALGLRE-UHFFFAOYSA-N
-rxn:4:223582:174574,COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc4ccc(C(=O)OC)cc4n3C(=O)OC(C)(C)C)cc1)C2=O,DKIUBQMAQNLOGL-UHFFFAOYSA-N
-rxn:4:223670:215898,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)CC1,GLPJUKBAPSQOSY-UHFFFAOYSA-N
-rxn:5:177185:223063:225507,COC(=O)C1CCc2cc(-c3ccc(-c4cc(F)nc(C5CCNCC5)c4)cc3C(=O)OC(C)C)ccc21,RFRYTNQVCZMWFG-UHFFFAOYSA-N
-rxn:5:177185:223065:223018,CC(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,VAEHEQXNWNHUAQ-UHFFFAOYSA-N
-rxn:5:177190:222990:225833,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(N3CCC(O)CC3)cc2)c1,QSIARFQUGARWKH-UHFFFAOYSA-N
-rxn:5:177190:222990:225849,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc(N3CCC(O)CC3)cc2)c1,TUZKNHZITRPZQF-UHFFFAOYSA-N
-rxn:5:177190:222991:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCC(O)C3)cc2)c1,GOPOLXHYNRIGDZ-UHFFFAOYSA-N
-rxn:5:177190:222992:226426,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)s2)c(-c2ccc(N3CCCCC3O)cc2)c1,LFRDQXANINISLW-UHFFFAOYSA-N
-rxn:5:177190:222993:225636,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2cccc(N3CCCCC3O)c2)c1,HLHJZLBLICRYTP-UHFFFAOYSA-N
-rxn:5:177190:222994:223065,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2cccc(N3CCC(O)CC3)c2)c1,UBFZZCHFBKZMDK-UHFFFAOYSA-N
-rxn:5:177190:222994:225641,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,GQFNCDXQHHAIFG-UHFFFAOYSA-N
-rxn:5:177190:222994:225833,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccc(N3CCC(O)CC3)c2)c1,GQYUTVVQKHZRDZ-UHFFFAOYSA-N
-rxn:5:177190:222994:226662,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cccc(N3CCC(O)CC3)c2)c1,PBJABZLUZVWAJR-UHFFFAOYSA-N
-rxn:5:177190:223056:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,XFBWNYNCSZUGJA-UHFFFAOYSA-N
-rxn:5:177190:223056:225407,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,PJMWCMMFSWZQJJ-UHFFFAOYSA-N
-rxn:5:177190:225407:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(C3CCCCCC3)cc2)c1,INCFKDINCNHDCI-UHFFFAOYSA-N
-rxn:5:177190:225407:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2ccc(C3CCCCCC3)cc2)c1,GZGXHSFADLZNIV-UHFFFAOYSA-N
-rxn:5:177190:225407:225600,CCS(=O)(=O)Cc1ccc(-c2cccnc2OC2CCCCC2)c(-c2ccc(C3CCCCCC3)cc2)c1,RTTCAORFCZDWJT-UHFFFAOYSA-N
-rxn:5:177190:225407:225634,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,SZYRMAIJRXIUHF-UHFFFAOYSA-N
-rxn:5:177190:225407:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(C3CCCCCC3)cc2)c1,KBVMGGBNAPITCM-UHFFFAOYSA-N
-rxn:5:177190:225407:225654,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)nc2)c(-c2ccc(C3CCCCCC3)cc2)c1,YBFXZPANARCAFR-UHFFFAOYSA-N
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-rxn:5:193870:226422:225448,Cc1ccc(OC2CCCC2)c(-c2cc(-c3cc(F)ccc3N3CCCC3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,LKZQLOQLDNOPTL-UHFFFAOYSA-N
-rxn:5:193870:226426:228685,COCc1cncc(-c2cc(-c3ccc(N4CCC(C)CC4)s3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,KIJZGYNGUIFLFB-UHFFFAOYSA-N
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-rxn:5:193870:227832:226572,Cc1cc(C2CC2)ccc1-c1cc(-c2cnc(OC3CCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1C,QKSUGJXGOHAVJQ-UHFFFAOYSA-N
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-rxn:5:193972:223006:225791,COc1ccccc1-n1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(F)c(C4CCNCC4)c3)cc2C)cn1,ZCWJPKMLUVMWRG-UHFFFAOYSA-N
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-rxn:5:193972:228715:226366,Cc1cc(-c2ccc(C#N)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,MZAVJIVCLOHDDY-UHFFFAOYSA-N
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-rxn:5:194058:225634:223054,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cnc1N1CCCCC1,AUSDRJRVUGYZMT-UHFFFAOYSA-M
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-rxn:5:194733:226390:222982,O=C(c1cc(-c2cccc(-c3cncnc3)c2)ccc1-c1ccc(CN2CC[C@@H](O)C2)cc1)N1C2CCC1CC(=C1CC1)C2,IVNLAFAOVHYQIU-KOZIHUGVSA-N
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-rxn:5:194791:229037:226883,Cc1ccc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5c(F)ccc(C(F)(F)F)c5F)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1F,OZVRHEUUZWDMEX-UHFFFAOYSA-N
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-rxn:5:194792:228417:225633,O=C1C2C(c3ccc(-c4ccc(F)c(C(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1,KRORZGFJZRYWEX-UHFFFAOYSA-N
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-rxn:5:196669:222960:225832,Cc1cc(-c2cnc(C3CCCC3)cc2-c2c(C)nn(C3CCCCO3)c2C)cc(C2CCNCC2)c1,QGCSPOFORVDNPN-UHFFFAOYSA-N
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-rxn:5:196858:226686:222981,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccnc(NC2CCCCC2)c1,YTUKZPNOOAGEFP-UHFFFAOYSA-N
-rxn:5:196859:222998:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCOCC2)c1-c1cc(F)cc(C2CCCNC2)c1,CIYCJWSBFJJBHA-UHFFFAOYSA-N
-rxn:5:196871:226177:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCCC3)c2)c(N2CCOCC2)c1,GPTSILQVXJLIIB-UHFFFAOYSA-N
-rxn:5:196917:225655:225986,CC1CCN(c2cncc(-c3ccc(-c4ccccc4N4CCCS4(=O)=O)cc3C3=NC(C)(C)CO3)c2)CC1,OORFSHUQXMJOEL-UHFFFAOYSA-N
-rxn:5:196917:225985:225633,CC1(C)COC(c2cc(-c3ccc(N4CCCCCC4)nc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WZLWIWYWONOHQO-UHFFFAOYSA-N
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-rxn:5:196917:225985:225849,CC1(C)COC(c2cc(-c3cnc(N4CCCCC4)cc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,HSQMEQFKDIDNOQ-UHFFFAOYSA-N
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-rxn:5:196919:225638:225985,CC1CCN(c2ccc(-c3ccc(C4=NC(C)(C)CO4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)cn2)CC1,MLIIXWGWPBPDML-UHFFFAOYSA-N
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-rxn:5:196919:225833:225987,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,GQJOJOQGILCXBK-UHFFFAOYSA-N
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-rxn:5:196919:225985:223131,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(N3CCNCC3)cc2)=N1,GJWCRMCHNWFYAB-UHFFFAOYSA-N
-rxn:5:196919:225985:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1C1=NC(C)(C)CO1,OCBGUXAPURNDCG-UHFFFAOYSA-N
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-rxn:5:196919:225987:225834,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cc(N3CCCCC3)ncc2F)=N1,YZYQUSUUGVDFSI-UHFFFAOYSA-N
-rxn:5:196919:225987:225849,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cnc(N3CCCCC3)cc2F)=N1,TYTQMHNSWSEMIK-UHFFFAOYSA-N
-rxn:5:196919:225987:226366,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2ccnc(N3CCCCC3)c2)=N1,QWGZNBNIZRQLCZ-UHFFFAOYSA-N
-rxn:5:196919:226664:225987,CC1(C)COC(c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,QCLHFQAKHSXDJS-UHFFFAOYSA-N
-rxn:5:196969:222960:226686,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2c(C)cnn2C2CCCCO2)cc(C2CCNCC2)c1,FBHMDQONFSPXTN-UHFFFAOYSA-N
-rxn:5:196969:222988:225677,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCCCC3)nc2F)cc(C2CCNCC2)n1,DOVBYGBZSVJLDJ-UHFFFAOYSA-N
-rxn:5:196969:225832:226060,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cc(C2CC2)cc(C2CC2)c1,PGNOKZOVBNXPSY-UHFFFAOYSA-N
-rxn:5:196970:225833:222986,Cc1cc(-c2nccc(C3CCCCC3)c2-c2ccnc(N3CCCCC3)c2F)cc(C2CCCNC2)n1,CLESANMJLZSHCK-UHFFFAOYSA-N
-rxn:5:196970:226158:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccccc1N1CCCCC1,NRRBROVJJZRCPD-UHFFFAOYSA-N
-rxn:5:196977:223105:225808,CNS(=O)(=O)c1cc(-c2ccc(N3CCCCC3)cc2-c2cc(OC3CCCC3)ncc2F)c(F)cc1C,HXYOAMVRUWJKAM-UHFFFAOYSA-N
-rxn:5:196977:225817:223105,CNS(=O)(=O)c1cc(-c2cc(N3CCCCC3)ccc2-c2ccc(C(F)(F)F)c(C3CC3)c2)c(F)cc1C,HZKPUOSBDJFFSA-UHFFFAOYSA-N
-rxn:5:197876:223018:228510,CC(C)c1ccccc1-c1cc2c(cc1-c1ccc3c(c1)NC(=O)C(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,AOQPUVPDVPIDOX-UHFFFAOYSA-N
-rxn:5:197876:227412:226917,Cc1cc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,MBRQFLPQINIRFH-UHFFFAOYSA-N
-rxn:5:223000:181905:222985,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1ccc(C2CCCNC2)c(F)c1,XGBCDJWBLACUEG-UHFFFAOYSA-N
-rxn:5:223008:196668:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCNCC3)ccc2F)ncc1C1CCCC1,JRPDWGMUSJNDGI-UHFFFAOYSA-N
-rxn:5:225454:193866:228504,CN1CC=C(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3cccc4c3CCC4)cc2)CC1,XTSXNTPCPPQREB-UHFFFAOYSA-N
-rxn:5:225633:193972:228516,CCc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)c1,RUSSHSJPBXXBKN-UHFFFAOYSA-N
-rxn:5:225655:196919:223173,CC1CCN(c2cncc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)c2)CC1,GODDVYWXBGAHHX-UHFFFAOYSA-N
-rxn:5:225832:181904:226067,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C2=CCCCC2)cc1,DLSMVYNNYRJSAD-UHFFFAOYSA-N
-rxn:5:225832:181907:223186,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2cnn(C3CCCCO3)c2)c(C2OCCO2)c1,YYCPVJCSSVYZFO-UHFFFAOYSA-N
-rxn:5:225832:182012:226197,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCOC3)cc2)c(C2CCCOC2)c1,IJPWEQZGWKCXHB-UHFFFAOYSA-N
-rxn:5:225832:196668:225672,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)nc(C3CCCCC3)c2)c(C2CCCC2)cn1,MZUAFKOLKUHMBY-UHFFFAOYSA-N
-rxn:5:225833:196919:225985,CC1(C)COC(c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,IWZDNKXMGSDEFG-UHFFFAOYSA-N
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-rxn:5:225871:178119:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1c(C)cc(C(=O)OC(C)(C)C)cc1-c1cccc(N2C(=O)C=CC2=O)c1,UGBMDVHQDJQKBH-UHFFFAOYSA-N
-rxn:5:225871:189322:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ncc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1C(=O)OC(C)(C)C,ZFMPDTLARNKMAR-UHFFFAOYSA-N
-rxn:5:225926:183227:225639,CC1CCN(c2ncccc2-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc3c2OCCC3(C)C)CC1,RLZHRJVEESGIIQ-UHFFFAOYSA-N
-rxn:5:225985:183227:225639,CC1CCN(c2ncccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc3c2OCCC3(C)C)CC1,NVCYUZQSBGHBGC-UHFFFAOYSA-N
-rxn:5:225985:192567:225638,CC1CCN(c2ccc(-c3ccc(-c4cccc(N5CCCS5(=O)=O)c4)cc3C3(C#N)CCC3)cn2)CC1,VNQHSNBOVNUGPE-UHFFFAOYSA-N
-rxn:5:225985:196917:225639,CC1CCN(c2ncccc2-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)c(C3=NC(C)(C)CO3)c2)CC1,STPSZQVBBWNLHH-UHFFFAOYSA-N
-rxn:5:225985:196917:225833,CC1(C)COC(c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,VRMVCGDFMRCRIJ-UHFFFAOYSA-N
-rxn:5:225986:196919:225834,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cc(N3CCCCC3)ncc2F)=N1,NTRBRKVTONQBFM-UHFFFAOYSA-N
-rxn:5:225987:196917:226664,CC1(C)COC(c2cc(-c3cc(N4CCCC4)ncc3F)ccc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,WPYJJNONPLZZSY-UHFFFAOYSA-N
-rxn:5:225987:196919:225849,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cnc(N3CCCCC3)cc2F)=N1,TYTQMHNSWSEMIK-UHFFFAOYSA-N
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-rxn:5:226085:178295:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,MPKSJQWMOSIZFR-UHFFFAOYSA-N
-rxn:5:226186:196971:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2C2CCOCC2)ncc1C1CCCCC1,HXSKYKBWKLBBLB-UHFFFAOYSA-N
-rxn:5:226201:178295:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2ccc3nn(C(C)C)cc3c2)CCC(=O)CC1,ZYDGBVWNTXPYJP-UHFFFAOYSA-N
-rxn:5:226211:178295:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,RSAZMZAMZIOGHR-UHFFFAOYSA-N
-rxn:5:226374:180022:225879,COc1c(-c2ccc(N3CCOCC3)cc2F)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,URUNINQKVJISCR-UHFFFAOYSA-N
-rxn:5:226395:193681:223173,CN1CCC(Oc2cc(-c3cncc(N4CCCCC4)c3)ccc2-c2ccc3c(c2)C(O)CS3(=O)=O)CC1,AEGOCLPPDVODGX-UHFFFAOYSA-N
-rxn:5:226426:177190:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2ccc(N3CCC(C)CC3)s2)c1,FUGACHGMXZMZTB-UHFFFAOYSA-N
-rxn:5:226427:177190:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cc(N3CCC(C)CC3)cs2)c1,IDHQCNHORGLIIK-UHFFFAOYSA-N
-rxn:5:226576:178295:228625,CCc1ccc(-c2ccc(-c3ccc(F)c(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,RVZZZVOPMXBULW-UHFFFAOYSA-N
-rxn:5:226580:178295:228774,COC(=O)C1(c2cc(-c3c(F)cccc3OC)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,NWGXWNBACOTRPI-UHFFFAOYSA-N
-rxn:5:226582:190833:229015,CC(C)c1sccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,QRQCURUISVVGOP-UHFFFAOYSA-N
-rxn:5:226589:178295:227309,CCC(C)c1cc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,WNYVRKCFURBMLQ-UHFFFAOYSA-N
-rxn:5:226652:196408:225683,Cc1cc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2=NOCCO2)n(C2CCCCO2)n1,ONUHEXOWKRPUDB-UHFFFAOYSA-N
-rxn:5:226652:196969:225677,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCCCC3)nc2F)n(C2CCCCO2)n1,BJISJCAZZNHEAF-UHFFFAOYSA-N
-rxn:5:226664:196919:225987,CC1(C)COC(c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,QCLHFQAKHSXDJS-UHFFFAOYSA-N
-rxn:5:226665:180421:222958,Cc1ccc(-c2ccc(CC3CCCCC3)cc2-c2cnc(C3CCCOC3)nc2)cc1C1CCNCC1,KXHHNDVJQIEJDB-UHFFFAOYSA-N
-rxn:5:226679:196919:225985,CC1(C)COC(c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WUBZZONUFCTFKU-UHFFFAOYSA-N
-rxn:5:226686:182010:223062,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1C1CCOCC1,RAWWFKDMVURNRU-UHFFFAOYSA-N
-rxn:5:226782:178295:228596,CCc1ccc(-c2ccc(-c3cc(F)c(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)n1,LQDNQQQWXQRKBN-UHFFFAOYSA-N
-rxn:5:226910:178295:227048,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,BCZPHLUJVKKFAN-UHFFFAOYSA-N
-rxn:5:226910:178295:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,QSCBKOGVWAKBER-UHFFFAOYSA-N
-rxn:5:226910:178295:227901,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(CC(C)C)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,SHWPEKZZOQLVAL-UHFFFAOYSA-N
-rxn:5:226911:178295:226921,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C3CC3)c(C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,ZBGOATHOWGDENM-UHFFFAOYSA-N
-rxn:5:226914:178295:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,ZXYRMTXSYVKILT-UHFFFAOYSA-N
-rxn:5:226914:178295:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(CC(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,NOYBPGSCRQPEFP-UHFFFAOYSA-N
-rxn:5:226918:178295:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C3=CCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,VXQZOJGKKADHRJ-UHFFFAOYSA-N
-rxn:5:226920:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,AYXKWBLWILFJTB-UHFFFAOYSA-N
-rxn:5:226920:178295:227409,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ncc3F)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,GPCBMLBBSPLOEO-UHFFFAOYSA-N
-rxn:5:226920:178295:227932,COCc1ccc(C)c(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OHCFUIFTKSRKOA-UHFFFAOYSA-N
-rxn:5:226966:178295:228431,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3SC)ccc2-c2ccc3c(c2)C(=O)CCC3)CCC(=O)CC1,GWJPLPIJMXTMEY-UHFFFAOYSA-N
-rxn:5:227052:190833:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,GEKRPUVQNKZBGD-UHFFFAOYSA-N
-rxn:5:227065:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,KBPIPIZAAHCHBY-UHFFFAOYSA-N
-rxn:5:227068:178295:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2ccc(CC(C)C)cc2F)CCC(=O)CC1,YHZGLTXQDWHLOL-UHFFFAOYSA-N
-rxn:5:227069:178295:228116,COC(=O)C1(c2cc(-c3cccnc3OC(C)C)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,RNZXIIGLDVTYGX-UHFFFAOYSA-N
-rxn:5:227071:178295:226914,COCc1cc(C)c(-c2ccc(-c3ccc(CC(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,WQNJLIDDSANRME-UHFFFAOYSA-N
-rxn:5:227075:178295:227999,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3F)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,ABVWQRTXBGJNAT-UHFFFAOYSA-N
-rxn:5:227102:178295:227906,CCC(C)c1ncccc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KPKPSJQWWWSSMZ-UHFFFAOYSA-N
-rxn:5:227124:178295:227953,COC(=O)C1(c2cc(-c3ccc(N(C)C)cc3C)ccc2-c2ccc(C(C)(C)C)cc2F)CCC(=O)CC1,MWBKXGQUMIZLAR-UHFFFAOYSA-N
-rxn:5:227209:178295:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2ccc3c(c2)OC(C)(C)O3)CCC(=O)CC1,QPKUHESFFRFTFD-UHFFFAOYSA-N
-rxn:5:227309:178295:226907,CCC(C)c1cc(-c2ccc(-c3cccc4c3CCC43CC3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,KRXOOBBRFIILSQ-UHFFFAOYSA-N
-rxn:5:227311:178295:226912,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C)cc(CC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,SYWUOPDQGKRQNQ-UHFFFAOYSA-N
-rxn:5:227311:178295:228258,CCC(C)c1cc(F)c(-c2ccc(-c3c(C)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,KDLYRFKSIDTGOZ-UHFFFAOYSA-N
-rxn:5:227314:178295:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2ccc(CC(C)C)nc2F)CCC(=O)CC1,LWPITICIYIUGDH-UHFFFAOYSA-N
-rxn:5:227319:178295:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cc(CC(C)C)ncc2F)CCC(=O)CC1,UPGXPKOSDQCBND-UHFFFAOYSA-N
-rxn:5:227340:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C)c(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,CZDRVQXOSYCXKD-UHFFFAOYSA-N
-rxn:5:227403:193870:227970,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccncc2C(C)(C)C)cc1-c1ccc(N2CCCCC2)s1,UVPZWIJKYGNNKF-UHFFFAOYSA-N
-rxn:5:227540:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(SC)cc(F)c2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,QXZIRDANVFGQJV-UHFFFAOYSA-N
-rxn:5:227554:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2cccc(F)c2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,GSXCRYLGXBZSIR-UHFFFAOYSA-N
-rxn:5:227568:178295:227840,COC(=O)C1(c2cc(-c3cccc(C)c3C3CC3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,YZUJRBNWQREFGK-UHFFFAOYSA-N
-rxn:5:227568:178295:227941,COCc1cc(C)cc(-c2ccc(-c3c(F)cc(OC)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OVGHWBGIQHXKDS-UHFFFAOYSA-N
-rxn:5:227587:190194:225437,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(CN3CCCCC3)c2)cc(F)c1OC,BMINOTPQNUHFFQ-UHFFFAOYSA-N
-rxn:5:227591:178295:228267,COC(=O)C1(c2cc(-c3c(F)ccc(C)c3OC)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,ZFKGCZYAFQLATE-UHFFFAOYSA-N
-rxn:5:227611:181907:225832,Cc1cc(-c2ccnn2C2CCCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,MWFIUPMKKIOVOG-UHFFFAOYSA-N
-rxn:5:227704:178295:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2cc(C(F)F)ncc2OC)CCC(=O)CC1,DHGUITPLXYUMEB-UHFFFAOYSA-N
-rxn:5:227810:178295:226212,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCC4=NOC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,JPBBAQLIKOQGIO-UHFFFAOYSA-N
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-rxn:4:178384:223647,COc1cc(COc2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cc2Cl)cc(OC)c1,OSTBJFOGSMFJGN-UHFFFAOYSA-N
-rxn:4:178384:224598,COc1cc(N2CCC(C)CC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,XMADGCLBZFBPIA-UHFFFAOYSA-N
-rxn:4:178384:225232,CC1CCN(c2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cnc2Cl)CC1,JPUPPQPWWMJEQA-UHFFFAOYSA-N
-rxn:4:178384:225752,COC(=O)c1cnc(C(C)C)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,UYDGTRVCPOSHGH-UHFFFAOYSA-N
-rxn:4:178384:225880,Fc1cnc(C2CCOCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,LXLONTCDMWMNEC-UHFFFAOYSA-N
-rxn:4:178384:226077,COc1ccc2ccccc2c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UOUOGPFLVRQOQB-UHFFFAOYSA-N
-rxn:4:178384:226112,Cc1cc(OCC2CC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SZGQWMPHKANMDD-UHFFFAOYSA-N
-rxn:4:178384:226781,Cc1cc(OC(F)(F)F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,ZWGACBLQXGDHEV-UHFFFAOYSA-N
-rxn:4:178384:228717,Cc1nn(C2CC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,SNQMDGSICTWIPT-UHFFFAOYSA-N
-rxn:4:178431:223712,COC(=O)Cc1cc2c(c(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c1)OCC2,NTAWHPYZNQZZSC-UHFFFAOYSA-N
-rxn:4:178497:222695,COc1ccc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cc1S(=O)(=O)C12CC(C1)C2,QKBJIAOUEJJJAM-UHFFFAOYSA-N
-rxn:4:178597:224421,CC(C)c1cc(C(C)C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C(C)C)c1,LMPSDTSTNSMHPT-UHFFFAOYSA-N
-rxn:4:178597:225805,CC(c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)s1)N1CCOCC1,YFSWKYBTGYWBDI-UHFFFAOYSA-N
-rxn:4:178597:228582,CC(C)c1ccncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,ITKRJWMGVLEHRB-UHFFFAOYSA-N
-rxn:4:178862:223577,CC(=O)Oc1c(F)cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1Cl,UTZLSTGVUQHRCA-UHFFFAOYSA-N
-rxn:4:180028:223811,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc(F)c1C1OCCO1,IAIUSVOSUGXMLZ-UHFFFAOYSA-N
-rxn:4:180106:223712,COc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C2(C)CC2(F)F)c1,CWSHLKBATIANCH-UHFFFAOYSA-N
-rxn:4:180372:224350,FC(F)(F)c1cc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)ccc1C1CCOCC1,GVZCQTGPIYLATC-UHFFFAOYSA-N
-rxn:4:180458:223811,COc1ccc(C2CCCCC2)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,DSUZOTAHOKZUHN-UHFFFAOYSA-N
-rxn:4:180503:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)ccc3C3CCCOC3)cc2)CC1,PXDGQNHOPWFGOV-UHFFFAOYSA-N
-rxn:4:180509:223059,COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(-c2ccc(N3CCNCC3)cc2Cl)c1,GRTJQWHEKDIOBP-UHFFFAOYSA-N
-rxn:4:180516:222682,COc1ccc(C2OCC(C)(C)CO2)cc1-c1cccc(OC)c1NC(=O)OC(C)(C)C,QOGBVCFABAMVEY-UHFFFAOYSA-N
-rxn:4:180740:222439,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1)c1ccc2c(c1)OCCO2,HXUADGSTNCCAPP-UHFFFAOYSA-N
-rxn:4:180815:224953,COc1ccc(-c2ccc(OCC3CCCCC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,CPIXYLWSOIVNDK-UHFFFAOYSA-N
-rxn:4:181648:222439,Cc1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc(S(C)(=O)=O)c1F,YKXQGIZEZXTFPG-UHFFFAOYSA-N
-rxn:4:181768:223844,O=C1C=CC(=O)C(c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)=C1,NZYLRKVDNOKGCZ-UHFFFAOYSA-N
-rxn:4:182066:223698,O=C1CC2(C1)CC(c1cccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)c1)C2,KFAKEXPRRJANOY-UHFFFAOYSA-N
-rxn:4:182157:223559,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc2c1OCC2=O,CIPAXFYLDFCEDP-UHFFFAOYSA-N
-rxn:4:182359:224738,COC1CCC2(CC1)Oc1ccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cc1C2=O,BDXJHOIQSBOVPK-UHFFFAOYSA-N
-rxn:4:182372:224128,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)cc1C2=O,AWRWCNRCOVNGGW-UAHYGDRYSA-N
-rxn:4:182376:223919,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)c(Cl)c4)cc3C2=O)C[C@@H]1C,PAMVCWSGSYOQAD-YJUKRBCESA-N
-rxn:4:182416:224071,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)cc1,NAOGXBYXBBSZTP-UHFFFAOYSA-N
-rxn:4:182416:228873,CN(C)c1ncc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2)cn1,LMKOJYCTHFZLLO-UHFFFAOYSA-N
-rxn:4:182464:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1c(F)cc(F)cc1Cl,HXPYBBXBDCLZGR-UHFFFAOYSA-N
-rxn:4:183263:223520,CC(c1ccc(-c2ccc3c(c2)C(C)(C)CC3(C)C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,HJJZHJGXPPZSGH-UHFFFAOYSA-N
-rxn:4:183271:223105,CNS(=O)(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c(F)cc1C,LZUZPGQNDJUDKM-UHFFFAOYSA-N
-rxn:4:183272:226374,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C2CCCCC2)n1,XPFMJOXXRSWERB-UHFFFAOYSA-N
-rxn:4:183274:226656,Cc1ccc(-c2ncon2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,FYDMYMNMBOEIKE-UHFFFAOYSA-N
-rxn:4:183274:226844,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccn1)C(F)(F)F,HZSGHUSIRWEWDL-UHFFFAOYSA-N
-rxn:4:183274:227725,c1cn(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cn2)cn1,HLXIBWFEVZZDEY-UHFFFAOYSA-N
-rxn:4:183274:228847,Cc1cc(Cl)cc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,YPRUXGNSJJCMFQ-UHFFFAOYSA-N
-rxn:4:183379:223712,COc1ccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cc1C12CC3CC(CC(C3)C1)C2,LHKVEXGCHXPZKI-UHFFFAOYSA-N
-rxn:4:183704:223997,Cc1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)cc(C)c1S(=O)(=O)N1CCOCC1,SBYLFFPCRUVPDC-FQEVSTJZSA-N
-rxn:4:183798:225558,COCCOc1cc(-c2ccccc2OCC2CCOC2)ccc1C(=O)N1CCOCC1,ZHLNTROGUMCMPF-UHFFFAOYSA-N
-rxn:4:183800:225753,COC(=O)c1cnc(C2CC2)c(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1,YREIUZADKHOKSO-UHFFFAOYSA-N
-rxn:4:183903:223608,CC(C)(C)OC(=O)Oc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cnc1C#C[Si](C)(C)C,DHEOGMQHKNVVRT-UHFFFAOYSA-N
-rxn:4:183910:222466,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,UKJOBTBUJQMQNC-UHFFFAOYSA-N
-rxn:4:183930:223624,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2cccc(COc3ccc(C(C)(C)C)cc3C)c2)c1,ZMWMNMVPURZIIE-UHFFFAOYSA-N
-rxn:4:183933:223093,Cc1c(CN(C(=O)OC(C)(C)C)C2CC2)cccc1-c1cncc(NS(=O)(=O)C(C)C)c1,IJFBXWMGEDLKLR-UHFFFAOYSA-N
-rxn:4:183945:224781,O=C1CCN(C(=O)OCc2ccccc2)C1Cc1cccc(-c2ccc(C3CCCO3)c(C(F)(F)F)c2)c1,FRWBKJNSGDCCDF-UHFFFAOYSA-N
-rxn:4:183979:224775,COc1ccc(S(=O)(=O)C2CN(C(=O)Cc3ccc(-c4cnc(C(F)(F)F)c(C5CCCC5)c4)cc3)C2)cc1,DBGVBFCOMYMHBF-UHFFFAOYSA-N
-rxn:4:183988:224304,COc1ccc(SCC2CCN(C(=O)c3ccc(-c4c(F)ccc(O[Si](C)(C)C(C)(C)C)c4Cl)o3)CC2)cc1,NOZRAPKHQRDIME-UHFFFAOYSA-N
-rxn:4:184032:226485,COCCOc1cc(-c2cc(F)cc(OCC3CCCCN3C(=O)OC(C)(C)C)c2)ccc1Cl,GRTBNNBJSVOIDZ-UHFFFAOYSA-N
-rxn:4:184045:224365,CCCCOc1cc(-c2cccc(CN(C(=O)c3ccccc3OC)C3CCS(=O)(=O)C3)c2)cc(C(F)(F)F)c1F,JWZLKGYLIPGFKU-UHFFFAOYSA-N
-rxn:4:184070:224583,COC(=O)C1(c2ccc(-c3cc(-c4ccncn4)cc(C4CC4)c3)cc2C)CCN(C(=O)OC(C)(C)C)C1,DIJHLLMSHHHZJD-UHFFFAOYSA-N
-rxn:4:184096:225421,CN(C)c1cccc2c(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cccc12,FOUKXGFJMVKYQY-UHFFFAOYSA-N
-rxn:4:184099:223548,CC(c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,RKBXCENXGHHHEC-UHFFFAOYSA-N
-rxn:4:184099:227811,CC(C)Cc1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,YZBBTYMBHDQZGM-UHFFFAOYSA-N
-rxn:4:184405:222705,COC(=O)Cc1cc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)c(C(F)F)cc1C#N,PHQRUZFDIKHGDE-UHFFFAOYSA-N
-rxn:4:184544:223559,COC(=O)Cc1cc(C#N)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC,ZSOCQAIEANHGRL-UHFFFAOYSA-N
-rxn:4:184824:222545,CCN(CC)C(=O)c1cc(OC)ccc1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,AXPJWKQFEZHCRX-UHFFFAOYSA-N
-rxn:4:184886:222942,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)c(OCC(F)(F)F)c1)N1CCCC1,SMWCCHBRYBNYFS-UHFFFAOYSA-N
-rxn:4:184912:224586,COC(=O)C1CN(Cc2ccc(-c3cc(F)ccc3CN3CCC(C)CC3)c(OC)c2)C1,PKJIHAQETDPWAO-UHFFFAOYSA-N
-rxn:4:184913:224735,COC(=O)C1CN(Cc2ccc(-c3ccc(C(F)(F)F)c(OCC(C)C)c3)cc2OC)C1,IBBJZBRUDRREHX-UHFFFAOYSA-N
-rxn:4:184914:224420,COC(=O)C1CN(Cc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc2OC)C1,CDFXAQGQLNEMCP-UHFFFAOYSA-N
-rxn:4:184952:224571,CC(C)N1CCN(c2ccc(-c3cc(F)ccc3CN(C)C(=O)OC(C)(C)C)cc2)CC1,GVXRNENRPSMYFK-UHFFFAOYSA-N
-rxn:4:185038:224758,O=C(c1ccc(-c2ccc(OCC3CCN(CC(F)F)CC3)cc2)cc1Cl)N1CCOCC1,QGODUJPABKTWEG-UHFFFAOYSA-N
-rxn:4:185039:224563,COC1CCN(C(=O)COc2ccc(-c3ccc(C)cc3O[Si](C)(C)C(C)(C)C)cc2)CC1,ODLQOINDJQUPIQ-UHFFFAOYSA-N
-rxn:4:185087:224792,COc1ccc(-c2cc(C(F)(F)F)cnc2SCC(C)C)c(C(=O)N(C(C)C)C(C)C)c1,PMVLLNQTLWCCNN-UHFFFAOYSA-N
-rxn:4:185097:223007,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2cc(F)cc(C3CCNCC3)c2)CC1,WLPHUTRDXOONQR-UHFFFAOYSA-N
-rxn:4:185111:225571,COC(=O)c1ccc(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)c(C2CC2)c1,YVHDLFULMHMTSS-UHFFFAOYSA-N
-rxn:4:185114:224885,CC1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)CC(=O)N3CCC(C(F)(F)F)CC3)cc2)CC1,MLUHUINAFSNOGS-UHFFFAOYSA-N
-rxn:4:185126:222573,CC(C)(C)[Si](C)(C)OCc1c(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)cccc1[N+](=O)[O-],GUBKVPXLMRGJCN-UHFFFAOYSA-N
-rxn:4:185143:222986,Cc1cc(-c2ccc(N(C(=O)CC(C)C)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,ALSGGALXCHOBEU-UHFFFAOYSA-N
-rxn:4:185155:226227,COCCCOc1ccc(-c2ccc(C(=O)OC)c(CN3CCC(C(F)(F)F)CC3)c2)cc1,GLNBMBXIOSVGPZ-UHFFFAOYSA-N
-rxn:4:185172:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCCC4CS(=O)(=O)c4ccccc4)o3)c2)CC1,JPZNBLUBNBKIBA-UHFFFAOYSA-N
-rxn:4:185200:224649,COC(=O)c1ccc(-c2cc(F)ccc2OCC2CCCCO2)c(CN2CCC(OC)CC2)c1,OEEVWOPQUHDXSR-UHFFFAOYSA-N
-rxn:4:185208:223895,CCN1CCN(CCOc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2)CC1,WWHJBZXEHLUSOC-UHFFFAOYSA-N
-rxn:4:185235:222467,COc1cc(C=C2N=C(c3ccc(-c4ccc(NC(=O)OC(C)(C)C)c5ccccc45)cc3)OC2=O)ccc1OC(C)=O,LHFNDUPKWCPJDB-UHFFFAOYSA-N
-rxn:4:185239:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(OCC2CCN(CC3CC3)CC2)cc1,ZHJBIGAFCJYYQK-UHFFFAOYSA-N
-rxn:4:185252:224329,O=C1CCN(C(=O)c2ccc(-c3ccc(OCc4ccccc4)c(C(=O)N4CCOCC4)c3)cc2F)CC1,NZWBEGSJIWGQGW-UHFFFAOYSA-N
-rxn:4:185254:223839,CCOc1cc(C=C2N=C(c3ccccc3)OC2=O)cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)c1OC,JHIRQOYUQSHUHH-UHFFFAOYSA-N
-rxn:4:185256:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)c1F,PCJWRSWESYUALU-UHFFFAOYSA-N
-rxn:4:185260:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,MLSABWPDZJEEQU-UHFFFAOYSA-N
-rxn:4:185290:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2cccc(CN(C(=O)c3ccc(F)cc3)C3CCS(=O)(=O)C3)c2)c1,GQZBACHBIYHTGQ-UHFFFAOYSA-N
-rxn:4:185340:224880,O=C(c1cc(-c2ccccc2CN2CCCCCC2)ccc1OCc1ccccc1)N1CCC(F)(F)CC1,CWXDCPZDIOXIQB-UHFFFAOYSA-N
-rxn:4:185355:224847,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)c2)CC1,YSDPOFQLNXRWKZ-UHFFFAOYSA-N
-rxn:4:185375:223135,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cccnc2C2CCCNC2)CC1,PZRVJNIBNAEWFX-UHFFFAOYSA-N
-rxn:4:185397:225809,O=C(Cc1ccc(-c2cc(F)ccc2OC2CCOC2)cc1)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1,WZMLAXVIIRQOCG-UHFFFAOYSA-N
-rxn:4:185398:225556,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cccc(C(=O)OC(C)(C)C)c2)c1,OVBDRZAXPISSSD-UHFFFAOYSA-N
-rxn:4:185401:226844,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,PXWCGKAAADAADS-UHFFFAOYSA-N
-rxn:4:185407:226498,CCN(CC)c1ncc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)cc1Cl,KAHHOJUMWVWSQO-UHFFFAOYSA-N
-rxn:4:185491:222647,CON=CC(C)C(=O)c1ccc2c(-c3cc(C)c(NC(=O)OC(C)(C)C)cc3C)c(OC)ccc2c1,LSEBQXMOBFNSPC-UHFFFAOYSA-N
-rxn:4:185498:224018,COC(=O)c1c(C(=O)OC)c(-c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)n2c1CSC2,HWNYRWTYRTWHGN-UHFFFAOYSA-N
-rxn:4:185534:222408,CNC(=O)Nc1ccc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cc1C,BTNLESAWEOSEIM-UHFFFAOYSA-N
-rxn:4:185535:225652,COC(=O)[C@@H]1Cc2ccc(-c3cncc(N4CCCC(C)C4)c3)cc2CN1C(=O)OC(C)(C)C,ZUHUSRPOPNFAOI-LUTIACGYSA-N
-rxn:4:186007:223831,COC(=O)c1cc(OC)cc(C#N)c1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,MGXOZFMNUPNJIX-UHFFFAOYSA-N
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-rxn:4:186270:223693,CN(C)C(=O)COc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)c(Cl)c1,AGCGUCBMGKZEOF-UHFFFAOYSA-N
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-rxn:4:212814:225476,Cc1ccc(-c2ccc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)cn2)cc1,PRSSURWXAIULIF-UHFFFAOYSA-N
-rxn:4:212849:223048,O=C(NC1CC1)c1cccc(-c2ccccc2C(=O)N(Cc2ccccc2)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1F,QDOTZLJUNMNFQP-UHFFFAOYSA-N
-rxn:4:212887:224458,COC(=O)CN1CCC(Cn2cc(-c3ccc(C(C)N4CCC(C)CC4)cc3)cn2)C1,FKNUXIICGKTOIS-UHFFFAOYSA-N
-rxn:4:212906:222582,CC(C)(C)OC(=O)N1CC(Oc2cncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)n2)C1,NZHBSQNLSJPCCU-UHFFFAOYSA-N
-rxn:4:212914:224750,O=C(c1cncc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1,YFGYEEVIMYGIKF-UHFFFAOYSA-N
-rxn:4:212917:224589,COC(=O)CN1CCC(Cn2cc(-c3ccc(F)cc3CN3CCC(C)CC3)cn2)CC1,KLJOWEPHBWJERL-UHFFFAOYSA-N
-rxn:4:212917:225301,COC(=O)CN1CCC(Cn2cc(-c3cc(OC4CCOCC4)ncc3F)cn2)CC1,RMOFOXRTULTSCW-UHFFFAOYSA-N
-rxn:4:212939:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)cc1F,LDXWMFJOCJAPPS-UHFFFAOYSA-N
-rxn:4:212943:224010,CCOC(=O)N1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)cc2C(F)(F)F)CC1,YIJYLOTVMQPMPE-UHFFFAOYSA-N
-rxn:4:212967:223945,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,ZFCQSBSQVXWPHP-UHFFFAOYSA-N
-rxn:4:212973:222566,O=C(NCc1ccccc1F)c1cccc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)c1,SYQFUBRCQAMQLU-UHFFFAOYSA-N
-rxn:4:212986:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cn(C)nc3CN3CCC(C(=O)OCC)CC3)cc2)CC1,BFASEVFWMJFDRP-YHBQERECSA-N
-rxn:4:212988:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cs1,PAIHNJNJIOCXON-UHFFFAOYSA-N
-rxn:4:213011:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(OCC3CCCN(C(=O)C(C)C)C3)nc2)c1,FQGXSFQEQDEVAD-UHFFFAOYSA-N
-rxn:4:213037:222573,CC(C)CCN1CCC(Oc2ncc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cn2)CC1,VXZFAJJIYCQOFW-UHFFFAOYSA-N
-rxn:4:213037:222916,CC(C)CCN1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,FUNYHQFWYDBQQM-UHFFFAOYSA-N
-rxn:4:213045:222546,O=C(C1CCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,UHSPMHAWDOTDFH-UHFFFAOYSA-N
-rxn:4:213053:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,WHPMTILSPTWWLY-UHFFFAOYSA-N
-rxn:4:213075:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,KCPVASXGGIAKCR-UHFFFAOYSA-N
-rxn:4:213076:222543,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)cn2)cc1,DADSGBJQGHPMGB-UHFFFAOYSA-N
-rxn:4:213081:223184,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2C#N)CC1,HXDWDPKFWVYWID-UHFFFAOYSA-N
-rxn:4:213097:224276,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)CC1,HNWHUUSBIOEEHI-UHFFFAOYSA-N
-rxn:4:213097:224963,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cccc(COC4CCOCC4)c3)cn2)CC1,VYGGKJNGRKPCJL-UHFFFAOYSA-N
-rxn:4:213125:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1,QTZDPRMRYGQBSH-UHFFFAOYSA-N
-rxn:4:213127:225898,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CCN4CCOCC4)c3)ccn2)CC1,RVDZSONHYFRWTB-UHFFFAOYSA-N
-rxn:4:213130:225733,CCCCOc1cc(-c2cncc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cc1F,VCSVLGICZGNDIK-UHFFFAOYSA-N
-rxn:4:213131:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(F)c2)CC1,LCXCAQVOHWAOTQ-ALOJWSFFSA-N
-rxn:4:213132:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,VWUCNZZDODXZAO-UHFFFAOYSA-N
-rxn:4:213134:222634,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,YAQPKDUWASNOLL-UHFFFAOYSA-N
-rxn:4:213134:224393,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)CC1,DVQKLJDOWAGPOV-UHFFFAOYSA-N
-rxn:4:213138:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,ITHBXGMGPSSZSK-UHFFFAOYSA-N
-rxn:4:213162:225061,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCC(C)CC5)cc4F)cn3)CC2)cc1F,WFBQCSIQTFQWDX-UHFFFAOYSA-N
-rxn:4:213174:223892,Cc1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCN(C)CC5)cc4)cc3)CC2)nn1,OCSOEIVEALEDAW-UHFFFAOYSA-N
-rxn:4:213184:225172,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cc(CN4CCOCC4)ccc3F)CC2)nc1,BZCHLVRAPQAZCA-UHFFFAOYSA-N
-rxn:4:213188:224489,CC(C)N(Cc1ccc(F)cc1-c1ccccc1C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)C(C)C,NXALLQBZTCVRQD-UHFFFAOYSA-N
-rxn:4:213188:224881,O=C(c1ccccc1-c1cccc(CN2CCCCCC2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,GWJJAAIXGJQZEX-UHFFFAOYSA-N
-rxn:4:213196:222884,CC(C)(C)NC(=O)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)C4CCOCC4)C3)nc2)c1,GQLBFJAKPSBOJX-UHFFFAOYSA-N
-rxn:4:213201:224881,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(CN4CCCCCC4)c3)CC2)ncn1,FDQSKCIJWJNRAR-UHFFFAOYSA-N
-rxn:4:213202:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccc(C)nn2)CC1,PTZLCSGSUNJJOH-UHFFFAOYSA-N
-rxn:4:213202:222819,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(NC(=O)N4CCOCC4)nc3)CC2)nn1,PDICWCPMBAVIGJ-UHFFFAOYSA-N
-rxn:4:213202:222849,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CCNCC4)c(C#N)c3)CC2)nn1,QLLJMXCSEKLJQQ-UHFFFAOYSA-N
-rxn:4:213205:224485,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3)C2)nc1,XCYJCVDTZIBYLS-UHFFFAOYSA-N
-rxn:4:213216:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,IQPHNVRNELSROX-UHFFFAOYSA-N
-rxn:4:213223:224127,CCN1CCN(C(C)c2ccc(-c3ccc(OC)cc3C(=O)N3CCC(Cn4ccnc4C)CC3)cc2)CC1,NPASVNHOFAFARJ-UHFFFAOYSA-N
-rxn:4:213224:222684,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c[nH]1,XQTGYWSSJFQSBV-SANMLTNESA-N
-rxn:4:213257:222631,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1cc(C2CCNCC2)nc(C(C)(C)C)c1,HEGHBTMERAVECM-UHFFFAOYSA-N
-rxn:4:213259:223289,CNS(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cn1,PATGFFQDCFQFOD-UHFFFAOYSA-N
-rxn:4:213260:224734,O=S1(=O)CCC(CN2CCCC(COc3ncc(-c4ccc(C(F)(F)F)cc4OCC4CC4)cn3)C2)CC1,WGLVNTSXFIVERC-UHFFFAOYSA-N
-rxn:4:213268:223556,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C(=O)OC(C)(C)C)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,APZKDOKLKJZOPK-UGDMGKLASA-N
-rxn:4:213268:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(-c4c[nH]c([C@@H]5C[C@H](C)CN5C(=O)OC(C)(C)C)n4)cc3)cnc21,IKBCCYNWTNDLRI-NGQVCNFZSA-N
-rxn:4:213281:228695,CN(C)Cc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cs1,SHGHVUNLIPLKMM-UHFFFAOYSA-N
-rxn:4:213387:222758,Cc1cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)OC(C)(C)C,ZOXWOIKSNRKQJR-UHFFFAOYSA-N
-rxn:4:213389:223699,CCCCn1c(C2CC(=O)N(c3ccccc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)C2)nc2ccccc21,WWKSBEGRFWRHMG-UHFFFAOYSA-N
-rxn:4:213390:224400,CCC(=O)N1CCCC1c1nc2ccccc2n1Cc1ccc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1,XWDHFQKIPPJNGM-UHFFFAOYSA-N
-rxn:4:213395:225619,O=C(Cn1ccc2ccc(-c3ccc(Cl)cc3OC3CCCC3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,ZHHIXAKFKMBOKZ-UHFFFAOYSA-N
-rxn:4:213413:224343,CC1CN(C(=O)c2cc3cc(-c4cncc(-c5cccc(C(F)(F)F)c5)c4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,WMQAVNPYFTZSMV-UHFFFAOYSA-N
-rxn:4:213441:224681,O=C(Cn1ccc2cc(-c3ccc(C(=O)N4CCCCC4)c(F)c3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,NMYUGASMDIEFTJ-UHFFFAOYSA-N
-rxn:4:213451:228919,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(Cl)cnc5SC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QSENVKRWKZZRSS-UHFFFAOYSA-N
-rxn:4:213474:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cc1,MARKWYPOGIKEKT-XIFFEERXSA-N
-rxn:4:213480:223042,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)NC(C)C)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,SMGFUZZMCGNZOH-IVMILYEGSA-N
-rxn:4:213480:223057,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(Cl)nc(C5CCCNC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UALHYQXEEJYTPK-OECYWFHISA-N
-rxn:4:213480:226320,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5(C#N)CC5)ccc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UQZXDLVEMFPTDL-IVMILYEGSA-N
-rxn:4:213613:223482,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCC(Oc2cnccn2)C1,OLGVWEVLXFXNGG-UHFFFAOYSA-N
-rxn:4:213628:224834,CN(C)S(=O)(=O)n1cc(-c2ccn(C3CN(C(=O)OC(C)(C)C)C3)n2)c(C(F)(F)F)n1,YJWKDNJUWKYSCJ-UHFFFAOYSA-N
-rxn:4:213661:224196,CCOC(=O)C1CCN(c2ncc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cn2)CC1,ASJAVKJJUCIGAJ-UHFFFAOYSA-N
-rxn:4:213678:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CC(Cn3ccnc3)C2)cc1S(=O)(=O)NC1CCCCC1,ZRNNBFNHVMYDEL-UHFFFAOYSA-N
-rxn:4:213680:227878,CCCCCc1ccc(-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)s1,FXNIVXJSGHWMTK-UHFFFAOYSA-N
-rxn:4:213692:225829,CC1CCN(c2ncc(-c3cnn(C(C)C(=O)N4CCC(C(F)(F)F)CC4)c3)cn2)CC1,WNSITGBUYKULIV-UHFFFAOYSA-N
-rxn:4:213710:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(OC3CCN(C(=O)c4ccc(F)cc4Cl)C3)nc2)c1,MNVJKLDFMBNTIO-UHFFFAOYSA-N
-rxn:4:213717:224493,CC(=O)N1CCCCC1CCc1cnc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cn1,WHTMRUPSIVASIW-UHFFFAOYSA-N
-rxn:4:213725:223712,COc1ccc(-c2ccc(CN3CC(c4nc(C5CC5)no4)C3)cc2)cc1C12CC3CC(CC(C3)C1)C2,OJHYHJMOOMEUDX-UHFFFAOYSA-N
-rxn:4:213755:223997,Cc1cc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C)c1S(=O)(=O)N1CCOCC1,DVYRQKRFAAFLHU-UHFFFAOYSA-N
-rxn:4:213781:222694,Cc1csc(CN2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)o3)CC2)n1,WMYDTALHBYCARE-UHFFFAOYSA-N
-rxn:4:213784:224247,Cc1cc(F)ccc1S(=O)(=O)N1CC(Cn2cc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cn2)C1,ALASROVIHSCAMP-UHFFFAOYSA-N
-rxn:4:213795:222856,COc1ccc(C2CCNCC2)cc1-c1cnn(CC2CN(CC3CCCOC3)C2)c1,SMSMRKXMDLYNJQ-UHFFFAOYSA-N
-rxn:4:213803:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1,LLJBTBJVZLVXLK-UHFFFAOYSA-N
-rxn:4:213837:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1,JLHQAPRSLJEDTL-UHFFFAOYSA-N
-rxn:4:213879:224078,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)CC1,VEDKUOXGGCZERI-UHFFFAOYSA-N
-rxn:4:213897:225979,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnc(N3CCOCC3)c(Cl)c2)CC1,VYSWXTHJVHRPHM-UHFFFAOYSA-N
-rxn:4:213902:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2F)CC1,AMSXRLIJOHPXFN-UHFFFAOYSA-N
-rxn:4:213904:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1,BSEGRWAMFWZHLV-UHFFFAOYSA-N
-rxn:4:213910:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cccnc3OC3CCN(S(=O)(=O)N4CCOCC4)C3)cc2)CC1,SWIPEERXEXITEC-UHFFFAOYSA-N
-rxn:4:213910:223286,CS(=O)(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ZEZJVXZSIWTXMP-UHFFFAOYSA-N
-rxn:4:213924:223873,CC1CCN(C(=O)CCc2ccccc2-c2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)CC2)CC1,HCAAXDHEFKNUAL-UHFFFAOYSA-N
-rxn:4:213933:227107,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c(C2CC2)c1,UYUBDFFTBIXBHU-UHFFFAOYSA-N
-rxn:4:213948:222959,Cc1cc(-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)ccc1C1CCNCC1,PVOAMCOZSSFKAD-UHFFFAOYSA-N
-rxn:4:213969:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)o3)c2)CC1,UVZUXACRBHCMDV-UHFFFAOYSA-N
-rxn:4:213970:224782,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(F)c(F)c(N5CCN(C)CC5)c4)cn3)CC2)cc1,NSCRGWKUYKUEHY-UHFFFAOYSA-N
-rxn:4:213971:225361,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cn(C3CCCC3)nc2C(F)(F)F)CCO1)N1CCOCC1,JHYSQXXOTBCWCQ-UHFFFAOYSA-N
-rxn:4:213980:222464,CC(C)c1ccc(NC(=O)c2ccc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)cc2)cc1,DISNAKZQTMCOGH-UHFFFAOYSA-N
-rxn:4:213989:226286,CC(C)COc1cc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)ccc1Cl,KQZSADWZCGIUCA-UHFFFAOYSA-N
-rxn:4:213992:223060,Clc1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)cc(C2CCNCC2)n1,KENBBMWOFGNJAV-UHFFFAOYSA-N
-rxn:4:213992:226318,CN(C)c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)cc(C2CC2)n1,WVRHQODRRJXOFO-UHFFFAOYSA-N
-rxn:4:213997:224156,CC1CN(c2ccncc2-c2cc3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,IPNCCYQIQRADTK-UHFFFAOYSA-N
-rxn:4:214018:224059,COc1c(-c2ccc(C3=NN(C(C)=O)C(c4ccc(N(C)C)cc4)C3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,ORGJWWVRTMVZIA-UHFFFAOYSA-N
-rxn:4:214020:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2C(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)CC1,YPFACAYXZIGBBK-UHFFFAOYSA-N
-rxn:4:214033:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1,UHULVILXEUKGCV-DHIUTWEWSA-N
-rxn:4:214054:228502,Cn1cc(C(F)(F)F)c(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1,RLZHTVGQNUHVCD-UHFFFAOYSA-N
-rxn:4:214071:225780,N#Cc1ccc(-n2cc(-c3cccc(C(=O)N4CCN(S(=O)(=O)N5CCCCCC5)CC4)c3)cn2)cc1,ZPIRGAMRNKJRGO-UHFFFAOYSA-N
-rxn:4:214074:225828,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(N4CCCCCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,MCHVYIGAZGPKLL-UHFFFAOYSA-N
-rxn:4:214079:228200,CC(C)N1CCN(Cc2ccc(-c3ccnn3C3CCCC3)cc2N2CCCC2)CC1,IDRPLRDMXFFQDL-UHFFFAOYSA-N
-rxn:4:214153:224884,CC1CCN(Cc2cccc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)c2)CC1,DSIGFAVFJUVXST-OAQYLSRUSA-N
-rxn:4:214153:224949,COc1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc1CN1CCCC1,LHCBTQSLHGAXEK-LJQANCHMSA-N
-rxn:4:214179:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccn3cnc(C4CN(C(=O)OC(C)(C)C)C4)c3c2)cc1,MDWSMCIAJQTJFG-UHFFFAOYSA-N
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-rxn:4:214255:224161,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c2c(Cl)ncnc21,OHASNKONFITRLE-UHFFFAOYSA-N
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-rxn:4:214389:225171,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3cc(F)cc(CN4CCOCC4)c3)cc12,FGFJRQOCNUNLPB-UHFFFAOYSA-N
-rxn:4:214586:222585,CC(=O)N1CCC(Oc2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,BXLSITOMCGJSFZ-UHFFFAOYSA-N
-rxn:4:214680:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cn(C)nc1CN1CCCC(C(F)(F)F)C1,CMXWBZWEWYFUDC-UHFFFAOYSA-N
-rxn:4:214700:223660,CCN1CCN(Cc2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,DRYDKXFFWOQJBQ-UHFFFAOYSA-N
-rxn:4:214711:223542,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cn2)CC1,BKAMTJDUZMYIFD-UHFFFAOYSA-N
-rxn:4:214741:224337,CC(C)N1CCN(C(=O)c2ccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)nc2)CC1,YNRUGGCTPDQAKC-UHFFFAOYSA-N
-rxn:4:214743:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(N3CCC(N(C)C)CC3)c2C#N)CC1,MOXXOQCCAMIRSK-UHFFFAOYSA-N
-rxn:4:214760:223602,Cc1cnccc1OC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2Cl)C1,YQCRQJFXUNXHAD-UHFFFAOYSA-N
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-rxn:4:214802:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)cc1,VVHFGCFXZGTWED-UHFFFAOYSA-N
-rxn:4:214826:223775,COc1ccc2c(c1)c(-c1cnc(C3CCN(C(=O)C(C)(C)C)CC3)cn1)cn2C(=O)OC(C)(C)C,GTDBJBUHQJXJJV-UHFFFAOYSA-N
-rxn:4:214829:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c2)CC1,SPRWRKQJTZIMEX-UHFFFAOYSA-N
-rxn:4:214829:226259,CCCCOc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,XKUFSPGNBJMMHA-UHFFFAOYSA-N
-rxn:4:214830:222584,O=C(C1CN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCSCC1,HZEDQPPANAIHLU-UHFFFAOYSA-N
-rxn:4:214837:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1Cl,GREIMDLUJHSMQZ-UHFFFAOYSA-N
-rxn:4:214838:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,GRCYCQKMHRNYKF-UHFFFAOYSA-N
-rxn:4:214854:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)CC1,QJFLLKPFMNUZDA-UHFFFAOYSA-N
-rxn:4:214858:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1S(=O)(=O)NC1CCCCC1,CXYQQQYWXDVIMJ-UHFFFAOYSA-N
-rxn:4:214858:222694,Cn1ccc(C2CCCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)NC4CCCCC4)c3)C2)n1,CCCDUJONRAXOIV-UHFFFAOYSA-N
-rxn:4:214867:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C)c3)c(Cl)c2)CC1,XPBVCUGVUZEUSS-UHFFFAOYSA-N
-rxn:4:214868:226249,CCCCOc1cc(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,ZAVACDUIUJOOOT-UHFFFAOYSA-N
-rxn:4:214873:225047,Cc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cnc1N1CCC(C)CC1,XRVKPRKYJPOZKQ-UHFFFAOYSA-N
-rxn:4:214888:226652,Cc1cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)n(C2CCCCO2)n1,LKZSVLAMKUVGJJ-UHFFFAOYSA-N
-rxn:4:215063:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cn4c(n3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,SVDMFLIMCNBQIE-UHFFFAOYSA-N
-rxn:4:215070:223504,Cn1c(C(C#N)=Cc2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)nc2ccccc21,PNCGYQAFYPVSLE-UHFFFAOYSA-N
-rxn:4:215075:222524,O=S(=O)(c1cc(F)c(F)cc1-c1cnn(C2CC3CCC(C2)N3CC(F)(F)F)c1)N1CCC(O)CC1,WPOPQDVXNHDZJT-UHFFFAOYSA-N
-rxn:4:215099:222867,C[C@@H]1Cn2ncc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c2CN1C(=O)OC(C)(C)C,XKWMRPIPMIZINK-OAHLLOKOSA-N
-rxn:4:215198:225268,CCCOc1cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)cc(C(F)(F)F)c1,RDHHFCWGADNSHK-UHFFFAOYSA-N
-rxn:4:215216:226231,CCCCOc1ncc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1C,ZQMANQGHAPJLJU-UHFFFAOYSA-N
-rxn:4:215300:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,IBIJOUKLASRFHA-UHFFFAOYSA-N
-rxn:4:215369:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(N=[N+]=[N-])ccc3C(F)(F)F)cc2)CC1,RHNFNFANEAGDIE-UHFFFAOYSA-N
-rxn:4:215708:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(C(=O)N4CCOCC4)nc3)c2)CC1,QUOMBAHVUWKMQO-UHFFFAOYSA-N
-rxn:4:215845:223979,CN1CCN(C(=O)c2ccc(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)nc2)CC1,OWGJHFNUROONNE-UHFFFAOYSA-N
-rxn:4:215883:223694,CCN1CCN(c2ncccc2-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)CC1,JXJQBWIXHKMTAO-UHFFFAOYSA-N
-rxn:4:215899:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(C4CCCN(S(C)(=O)=O)C4)cn3)cc2)CC1,XRVRORKNCFDAEM-UHFFFAOYSA-N
-rxn:4:215906:224404,CN1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c2)CC1,OUJIPKXEAUVHNM-UHFFFAOYSA-N
-rxn:4:215940:223834,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)cn2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NMVQTWRFGYWNBE-UHFFFAOYSA-N
-rxn:4:216006:223506,COC(=O)c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc12,QSRDBWGHHWRJKU-UHFFFAOYSA-N
-rxn:4:216218:222465,COc1nc(N2CC3CCCC3C2)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,RGTVRNCXHFUBDB-UHFFFAOYSA-N
-rxn:4:216319:224782,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cc(F)c(F)c(N5CCN(C)CC5)c4)ccc3S2(=O)=O)n1,UKKHVQHDRRUOGW-UHFFFAOYSA-N
-rxn:4:216319:225827,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccnc(N5CCN(C)CC5)c4)ccc3S2(=O)=O)n1,SDJAUYFUEUHMBQ-UHFFFAOYSA-N
-rxn:4:216351:224811,CCC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc12,HSHPGQUMWALQAA-UHFFFAOYSA-N
-rxn:4:216784:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCC4)n3)cc2[N+](=O)[O-])CC1,CVUKLDPSRSKEIR-UHFFFAOYSA-N
-rxn:4:217889:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)CC1,JNTYBUYUKJSODT-UHFFFAOYSA-N
-rxn:4:217902:224286,CC1(C)CC(C)(C)c2c1c([N+](=O)[O-])c1cn[nH]c1c2-c1ccc(OCCN2CCOCC2)c(Cl)c1,RACAKLZGHRUVOX-UHFFFAOYSA-N
-rxn:4:217905:224022,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)ccc2OC32CCN(C)CC2)o1,SBFHLMAREUKMDF-UHFFFAOYSA-N
-rxn:4:218588:222693,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)CC1,CYDYJNHBBWVAAG-UHFFFAOYSA-N
-rxn:4:218616:222696,Cn1cc(-c2ccc(F)c(C(=O)N3CCC(O)CC3)c2)c(CN2CCN(C(=O)OCc3ccccc3)CC2)n1,GTLRIAGIYLQNLZ-UHFFFAOYSA-N
-rxn:4:218616:224758,Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c(CN2CCN(C(=O)OCc3ccccc3)CC2)n1,OOILJKSBJKIPHM-UHFFFAOYSA-N
-rxn:4:218642:224704,CC1CCN(c2cc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)cc(F)c2F)CC1,PBHLUIRLSNUNMU-UHFFFAOYSA-N
-rxn:4:218662:224458,CC1CCN(C(C)c2ccc(-c3cnc(OCC4CCN(C(=O)c5cccc(N(C)C)c5)CC4)nc3)cc2)CC1,MJGLBYJXGDHKAJ-UHFFFAOYSA-N
-rxn:4:218691:224194,CCN1CCN(Cc2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)COc6ccc(F)cc6)CC5)[nH]n4)cc3)cc2Cl)CC1,LWGSPUPIMXPNSQ-UHFFFAOYSA-N
-rxn:4:218700:228161,CCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(F)cc4)C3)cc2)c(F)c1,IXXYZSWIHQTTDY-UHFFFAOYSA-N
-rxn:4:218712:223776,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)c3C)CC2)c(C)c1,BVFUOLVUVQHZJI-UHFFFAOYSA-N
-rxn:4:218808:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnn(CC2CN(Cc3ccc(C#N)cc3F)C2)c1,NSLRCXTXRIWZNU-UHFFFAOYSA-N
-rxn:4:218824:222537,CN(CC1CN(c2ncc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)C1)S(=O)(=O)C1CC1,ROKPFSJYRRTOIL-UHFFFAOYSA-N
-rxn:4:218824:225566,CN(CC1CN(c2ncc(-c3ccc(OCC4(C)COC4)cc3)cn2)C1)S(=O)(=O)C1CC1,RODBKSNTRWBBGC-UHFFFAOYSA-N
-rxn:4:218857:222898,COC(=O)CNC(=O)c1ccc(-c2cnccc2OC2CCN(C(=O)c3cn(C)nc3C(F)F)C2)cc1,GMKLEOBGRCVGMK-UHFFFAOYSA-N
-rxn:4:218867:224868,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccc(OCC4CCCCC4)c3)c2)no1,KJLAVUGGIHUTSY-UHFFFAOYSA-N
-rxn:4:218867:226159,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccc(N4CCCCC4)c3)c2)no1,HCUWAOFMVKHGCC-UHFFFAOYSA-N
-rxn:4:218867:226665,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCOC4)nc3)c2)no1,BVDIMGWNTYVCNL-UHFFFAOYSA-N
-rxn:4:218868:225975,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)no1,IDPQSKZCACUFQT-UHFFFAOYSA-N
-rxn:4:218868:225984,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)no1,RQMQHOMLOCJHNM-UHFFFAOYSA-N
-rxn:4:218877:227051,CCC(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)c(C)c1,XZNAYAFZDOSAHP-UHFFFAOYSA-N
-rxn:4:218972:222634,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)s1,BUKFTJKRXBPCMM-UHFFFAOYSA-N
-rxn:4:218992:223227,CC(NC1CC1)c1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)s1,IUVPLUCLYZAFQY-UHFFFAOYSA-N
-rxn:4:219002:223945,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)c1=O,KFWISNGUJVPPIR-UHFFFAOYSA-N
-rxn:4:219045:223522,Cc1cc(C)n(CCN2CCN(C(=O)c3ccccc3-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)CC2)n1,DAOJMMRTPVLHAK-UHFFFAOYSA-N
-rxn:4:219046:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2Cl)CC1,VMTMIJJUZHPPFI-UHFFFAOYSA-N
-rxn:4:219053:223009,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)cc(C5CCNCC5)c4)c3)cn2)CC1,NKILFIVLOMVLJC-UHFFFAOYSA-N
-rxn:4:219074:222632,COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cccc(C(=O)NCCN6CCCC6)c5)cc4)n[nH]3)CC2)c1,VYYYGOXWZMRBBT-UHFFFAOYSA-N
-rxn:4:219084:223809,C[Si](C)(C)CCOCn1nnc2ncc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc21,PTGVVYGJVYEDNS-UHFFFAOYSA-N
-rxn:4:219096:225359,COc1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)c(C(F)(F)F)cc1OC,YFTBXTBPHWBQMA-UHFFFAOYSA-N
-rxn:4:219129:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)cc2F)CC1,LMZMTURHHTUFMO-UHFFFAOYSA-N
-rxn:4:219142:226792,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4cnc(N5CCOCC5)nc4)cc23)CC1,ZTZYVFUDGZZPNT-UHFFFAOYSA-N
-rxn:4:219155:223659,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)c2)C3)nc1,YVAJRPUMAGLHRI-UHFFFAOYSA-N
-rxn:4:219253:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CC(Cn4ccnn4)C3)c2)CC1,GQBNBNJSUNJQHB-UHFFFAOYSA-N
-rxn:4:219274:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnn(CC3CN(c4cc(C(F)(F)F)ccn4)C3)c2)CC1,CWXJOUQXOYQSHR-UHFFFAOYSA-N
-rxn:4:219353:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)N(C)C)CC2)nc1,UMCSXCMNUMQMKG-UHFFFAOYSA-N
-rxn:4:219354:225655,CC1CCN(c2cncc(-c3cnc(N4CCC(N(C)S(=O)(=O)C5CC5)C4)nc3)c2)CC1,CDTQGKZFMVAXSM-UHFFFAOYSA-N
-rxn:4:219400:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,YYWJEDSUPYXADR-UHFFFAOYSA-N
-rxn:4:219410:223286,CS(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,HREDDGIMCYMDBV-UHFFFAOYSA-N
-rxn:4:219416:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)N3CCC(n4cc(-c5ccccc5)nn4)C3)o2)CC1,WAFJURBXIUIHGB-UHFFFAOYSA-N
-rxn:4:219436:223077,N#Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,FYHAKAPUKQZCRU-UHFFFAOYSA-N
-rxn:4:219462:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)ccn1,AIXYKVXMJBBVRN-UHFFFAOYSA-N
-rxn:4:219473:227103,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1sccc1C1CCCCC1,HIDFIKAVTHGZPL-UHFFFAOYSA-N
-rxn:4:219497:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,XIHFCEKVNJBWCJ-UHFFFAOYSA-N
-rxn:4:219498:227262,CCCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,IELWUPFONKMOHX-UHFFFAOYSA-N
-rxn:4:219498:228164,CCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)ccc1Cl,XDJDCWSUHLLRDX-UHFFFAOYSA-N
-rxn:4:219500:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc1Cl,HGUJAPPUDTUEKQ-UHFFFAOYSA-N
-rxn:4:219540:224011,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)CC2)ncn1,IMJIOLHZPFVDNX-UHFFFAOYSA-N
-rxn:4:219622:222720,CC(=O)Cn1c(-c2ccc(N3CCNCC3)cc2C(F)(F)F)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C,AMFHKBBYWYEQJJ-UHFFFAOYSA-N
-rxn:4:219623:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)o2)CC1,NBKUIUYQNZWJQN-UHFFFAOYSA-N
-rxn:4:219634:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnccc3OC3CCN(C(=O)c4cnc5ccccc5n4)C3)c2)C1,KBDXCIARKQPPTC-UHFFFAOYSA-N
-rxn:4:219651:223121,COc1ccc(-c2ccc(C(=O)NC3CC3)cc2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,SWIOOARRGVLDQK-UHFFFAOYSA-N
-rxn:4:219653:225313,CN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c(F)n2)CC1,FOFGMXNSRDVWFV-UHFFFAOYSA-N
-rxn:4:219678:225986,N#Cc1ccc(N2CC3CN(S(=O)(=O)c4ccccc4-c4ccccc4N4CCCS4(=O)=O)CC3C2)nc1,HUURRNLMHWJFCK-UHFFFAOYSA-N
-rxn:4:219689:222771,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(F)c(C(=O)NC5CCCC5)c4)n3c2)CC1,WRJZYQWLOAQXNL-UHFFFAOYSA-N
-rxn:4:219689:225977,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc(Cl)cnc4N4CCOCC4)n3c2)CC1,OLCDZWSZYBPODM-UHFFFAOYSA-N
-rxn:4:219707:222915,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(C(=O)NC5=NCCS5)cc4)c(Cl)cc23)CC1,YZZGBRPUBCLHIK-UHFFFAOYSA-N
-rxn:4:219721:224187,O=C(c1cncc(-c2ccc(OCCN3CCCCC3)cc2F)c1)N1CCC(Cn2cnc3ccccc3c2=O)CC1,YTZIXKAIQZIWNU-UHFFFAOYSA-N
-rxn:4:219742:224619,O=C(c1cncc(-c2ccc(OCCN3CCCC3)c(F)c2)c1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1,XNDAUFHOBZSQQC-UHFFFAOYSA-N
-rxn:4:219769:225313,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,QXKBKSCXGXJOKB-UHFFFAOYSA-N
-rxn:4:219846:223539,COc1ccc(-c2c(C)ncnc2-c2ccc(S(=O)(=O)NN)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,KSOKKQRQRJJERF-UHFFFAOYSA-N
-rxn:4:219853:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cn2)CC1,JQXKWPIPHSFWQZ-UHFFFAOYSA-N
-rxn:4:219877:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3CN3CCN(c4cnsn4)CC3)c2)C1,OIWTVHRQKJASPC-UHFFFAOYSA-N
-rxn:4:219902:222584,CC(C)N1CCN(c2c(-c3ccc(OCCCN4CCNCC4)c(F)c3)cncc2[N+](=O)[O-])CC1,FQAQRLLZECOFHQ-UHFFFAOYSA-N
-rxn:4:219937:222604,COc1ccc(-c2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)cc1S(=O)(=O)NC1CCCC1,ZLCOIIYURMODSY-UHFFFAOYSA-N
-rxn:4:219998:223524,COc1ccc2c(c1)c(-c1cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc1)cn2S(=O)(=O)c1ccc(C)cc1,RHCSRKUBDWMJIF-UHFFFAOYSA-N
-rxn:4:220039:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc1,HXHCSXRZNIPJLY-UHFFFAOYSA-N
-rxn:4:220041:222520,CC(C)(C)OC(=O)Nc1cc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)ccc1C(F)(F)F,IJBSPDQUBNRFHE-UHFFFAOYSA-N
-rxn:4:220205:223071,CCS(=O)(=O)NCc1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1,HBPCCOMUVPVCKT-UHFFFAOYSA-N
-rxn:4:220209:223078,CCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c(C)c1,SRMUVKJDVNICPH-UHFFFAOYSA-N
-rxn:4:220269:223482,N#CCSc1nc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2c2nc3ccccc3n12,LOVDNCWBDPDUHR-UHFFFAOYSA-N
-rxn:4:220398:224064,CC1CCCCN1c1cc(-c2cnc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc(C2CC2)c1,AVINQQFIAWXLEA-UHFFFAOYSA-N
-rxn:4:220533:224782,CN1CCN(c2cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc(F)c2F)CC1,SPJFBXZZWTZFFJ-UHFFFAOYSA-N
-rxn:4:220819:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCN(C)CC4)nc3C)c2)CC1,LHLJVMUFUDPZJP-UHFFFAOYSA-N
-rxn:4:220935:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,PCZJRAAFYUMSBV-UHFFFAOYSA-N
-rxn:4:221092:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc(OCC4CCN(CCn5cccn5)CC4)nc3)c2)C1,FQOWANUWMKKAOL-UHFFFAOYSA-N
-rxn:4:221094:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c1,IBVBDXNGTVYOID-UHFFFAOYSA-N
-rxn:4:221105:223054,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)C2)nc1C,JJQCZZZUVKHXNX-UHFFFAOYSA-N
-rxn:4:221108:225172,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)c(=O)c1C,WSPLAPOTTNGVRR-UHFFFAOYSA-N
-rxn:4:221110:223243,COc1cc2cn[nH]c2cc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,YBWKJIRBEIQVPO-UHFFFAOYSA-N
-rxn:4:221113:223084,O=C(Cc1ccccc1-c1cnc(N2CCC(O)CC2)nc1)N1CCN(Cc2nncn2C2CCCCC2)CC1,FHBXVFGZCSSROM-UHFFFAOYSA-N
-rxn:4:221150:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(c5cccc(C#N)n5)C4)nc3)c2)CC1,DYGNBYWDJMSARV-UHFFFAOYSA-N
-rxn:4:221152:223533,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)C1,UUIVEDZHGQXQIO-UHFFFAOYSA-N
-rxn:4:221169:224325,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)cn1,BMNSFQVNLJZDLW-UHFFFAOYSA-N
-rxn:4:221173:223650,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)ccc1=O,RDXLBAKGIIRCCB-UHFFFAOYSA-N
-rxn:4:221175:226419,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N5CCCC5)cc4Cl)cn3)C2)C(=O)C1=O,VHJUVFQJNKOUKD-UHFFFAOYSA-N
-rxn:4:221175:228251,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)c(OC)cc4Cl)cn3)C2)C(=O)C1=O,CFNQJAOFNSMLGX-UHFFFAOYSA-N
-rxn:4:221175:228813,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(SC)c4)cn3)C2)C(=O)C1=O,FFAAWNDTRNMYRV-UHFFFAOYSA-N
-rxn:4:221186:226654,CC1CCN(c2nc(-c3cnc(N4CCC(CN(C)c5cc(C(F)(F)F)ccn5)CC4)nc3)cs2)CC1,HLSVDHDYLLSHGO-UHFFFAOYSA-N
-rxn:4:221209:224759,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)n1,QMXXGQQOQNEXMD-UHFFFAOYSA-N
-rxn:4:221247:222948,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)nc2n(C)c1=O,VCCJWMNNBAHCAO-UHFFFAOYSA-N
-rxn:4:221360:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,LQXUERRXZQYPNO-UHFFFAOYSA-N
-rxn:4:221393:222449,COc1ccc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)cc1S(=O)(=O)NCc1ccccc1,TYJFAOIXDJRHIH-UHFFFAOYSA-N
-rxn:4:221395:224244,CC1CCN(C(=O)c2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)ccc2Cl)CC1,DDCMRFMTCIZVGY-UHFFFAOYSA-N
-rxn:4:221395:224290,O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)cn2)CC1,PUCBXLHFVXZXHQ-UHFFFAOYSA-N
-rxn:4:221405:222630,CN(C)c1cc(N2CCN(Cc3ccccc3-c3cc(C4CCC4)nc(C4CCNCC4)c3)CC2)ncn1,VXMDNWLOELCSLA-UHFFFAOYSA-N
-rxn:4:221411:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)CC1,TZZPAABHJRGBDQ-UHFFFAOYSA-N
-rxn:4:221414:225223,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cnc(N5CCC(C)CC5)cc4F)c3)CC2)cn1C,LXXSNLHSUFJVMV-UHFFFAOYSA-N
-rxn:4:221417:222634,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5ccc(OCCNC6CCCC6)c(F)c5)o4)CC3)n2)n1,BKJUOQQLLMIEDU-UHFFFAOYSA-N
-rxn:4:221422:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,QQLMZFBJUKUULE-UHFFFAOYSA-N
-rxn:4:221425:223105,CNS(=O)(=O)c1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)c(F)cc1C,HZTVJLIFPAARJE-UHFFFAOYSA-N
-rxn:4:221446:226844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,HREKFSSOUQTTHN-UHFFFAOYSA-N
-rxn:4:221447:223057,Cc1cc(N2CCN(Cc3ccc(-c4cc(Cl)nc(C5CCCNC5)c4)cc3)CC2)nc(N2CCOCC2)n1,LUMLFJDDLJYFLS-UHFFFAOYSA-N
-rxn:4:221449:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,SETNMFOJSWPQOW-UHFFFAOYSA-N
-rxn:4:221456:227793,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4F)cc3)CC2)n1,VIAZGABIXLQXQO-UHFFFAOYSA-N
-rxn:4:221491:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CC5CCCC5(COc5ncc(F)cn5)C4)nc3)c(F)c2)CC1,ZGMSXDHRVKPFRY-SKIPHSJMSA-N
-rxn:4:221494:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N(C)C4CN(c5cc6c(nn5)CCC6)C4)c3)c(F)c2)CC1,FUNMKTOXDAEFPH-RQNOJGIXSA-N
-rxn:4:221641:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)c1,BQKJUXKHSIOBJD-UHFFFAOYSA-N
-rxn:4:221641:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)ccn2)CC1,KDSVMUDZBRSQSU-UHFFFAOYSA-N
-rxn:4:221647:223482,CC(=O)Cn1cnc2c(nnn2-c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)c1=O,LDAXFYAYHAVWAW-UHFFFAOYSA-N
-rxn:4:221723:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)c2)CC1,APSPOZTULUGLHV-UHFFFAOYSA-N
-rxn:4:221782:224022,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c(=O)n2C)c(C)c1,JHYDVEJRXNBFJA-UHFFFAOYSA-N
-rxn:4:221836:225805,CC(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1)N1CCOCC1,BREAPUHWXSSROJ-UHFFFAOYSA-N
-rxn:4:221920:224360,CCOc1ccc(-c2ccc(C(=O)OC)n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,PFOYNKHNOUNLCJ-UHFFFAOYSA-N
-rxn:4:221980:222634,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)sc3n2)CC1,CRAFGLGPHDDEGE-UHFFFAOYSA-N
-rxn:4:221980:225982,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(N6CCOCC6)cc5F)c4)sc3n2)CC1,BYTNLLJHQNQOCB-UHFFFAOYSA-N
-rxn:4:221982:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,UEQHUTJNMCZMPV-UHFFFAOYSA-N
-rxn:4:221985:225977,Cn1cc(-c2nc3cnc(-c4cc(Cl)cnc4N4CCOCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,BYGRWLMHFRYUTK-OAQYLSRUSA-N
-rxn:4:222034:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5cccn5)nn4)CC3)cc2)CC1,ASJVXDRDYNTDKS-UHFFFAOYSA-N
-rxn:4:222061:222694,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cccc(S(=O)(=O)NC6CCCCC6)c5)c4)CC3)nn2)c(C)c1C,CZDZYYLRERUHRE-UHFFFAOYSA-N
-rxn:4:222102:222935,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNS(=O)(=O)N(C)C)cc6)cc5)no4)C3C2=O)cc1,BHEHMBREALJFAO-UHFFFAOYSA-N
-rxn:4:222108:223054,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCC(O)C7)s6)cc5)no4)C3C2=O)cc1F,WZXBMURKNKHBSU-UHFFFAOYSA-N
-rxn:4:222108:224257,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCCCC7C)ccc6Cl)cc5)no4)C3C2=O)cc1F,YWPIVBVGCNNOBG-UHFFFAOYSA-N
-rxn:4:222108:224400,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,RHYNJBZFESYDTK-UHFFFAOYSA-N
-rxn:4:222331:225009,Cc1cnc(OC2CCCCC2)c(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)c1,KLGQTDJRIMCIJG-UHFFFAOYSA-N
-rxn:4:222331:225222,CC1CCCCN1c1cc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)c(F)cn1,LFEOHQAREPUNKT-UHFFFAOYSA-N
-rxn:4:222335:222853,Cc1cc(N2CCN(c3ncc(-c4ccc(CN5CCC(O)CC5)cc4)cn3)CC2)nc(N2CCCC2)n1,XPXQSCHXKKBGSL-UHFFFAOYSA-N
-rxn:4:222335:224882,Cc1cc(N2CCN(c3ncc(-c4ccc(CN5CCCCCC5)cc4)cn3)CC2)nc(N2CCCC2)n1,DZJVANQDOPEIRK-UHFFFAOYSA-N
-rxn:4:222337:222987,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(C5CCNCC5)nc4C)cn3)CC2)n1,HUIYSPVDNLSQCF-UHFFFAOYSA-N
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-rxn:4:222367:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2[N+](=O)[O-])CC1,BOCFVLXFDDXHBV-UHFFFAOYSA-N
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-rxn:5:178467:228321:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(C(=O)OC)c3)c2OC1,GFUFSWBYCIRWRB-UHFFFAOYSA-N
-rxn:5:178556:226329:223007,N#CC1(c2ccc(-c3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3COc3ccc4c(c3)C(=O)CCC4)cc2F)CC1,IMXRYACEVUAHNE-UHFFFAOYSA-N
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-rxn:5:179418:225805:222983,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2cccc(CN3CCC(O)C3)c2)s1)N1CCOCC1,XLPSHHOQNWFQBG-UHFFFAOYSA-N
-rxn:5:179629:227656:225607,COc1ccc(-c2cc(N3CCOCC3)cs2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCCCC2)s1,HLLAGRKXUDXJQV-UHFFFAOYSA-N
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-rxn:5:180422:225832:228193,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cnn(C2CCCC2)c1,RMILYTAJRQAVJX-UHFFFAOYSA-N
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-rxn:5:181908:222998:225880,Cc1cc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2cc(C3CCOCC3)ncc2F)cc1C1OCCO1,HFFRWWAOZFWULO-UHFFFAOYSA-N
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-rxn:5:182010:225832:226685,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCOCC3)nc2)ccc1C1CCOCC1,ZXXGUKZXGXFUAI-UHFFFAOYSA-N
-rxn:5:182012:226067:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3=CCCCC3)cc2)cc1C1CCCOC1,ONXODYWBDJXZDW-UHFFFAOYSA-N
-rxn:5:183189:222988:223061,Cc1cc(-c2cc(-c3cc(C4CCNCC4)ncc3F)cc3c2OC(C)(C)OC3)cc(C2CCNCC2)n1,QBYXYSVOXKKAJQ-UHFFFAOYSA-N
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-rxn:5:189000:226861:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc([N+](=O)[O-])c(OC(C)C)cc1-c1ccc(OC(F)(F)F)c(F)c1,ZKPLEQYZVWCCIU-UHFFFAOYSA-N
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-rxn:5:189209:226959:225797,CC1(C)Cc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)c3)ccc2O1,XMJAJZOHLYDRJJ-UHFFFAOYSA-N
-rxn:5:189211:228012:225634,Cc1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(F)c2C2CC2)cnc1N1CCCCC1,QTGZGDZQHXFGGZ-UHFFFAOYSA-N
-rxn:5:189212:225811:229054,COCc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)cs1,QSHQHRYMPBVOQT-UHFFFAOYSA-N
-rxn:5:189320:226847:222991,CSc1ncc(C(F)(F)F)cc1-c1cc(C(=O)OC(C)(C)C)cnc1-c1ccc(N2CCCC(O)C2)cc1,IKPRVVQYEQRCTG-UHFFFAOYSA-N
-rxn:5:189512:225655:225849,CC1CCN(c2cncc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)c4cccc(-c5cnc(N6CCCCC6)cc5F)c4)c3)c2)CC1,UQAJNXXTYSWVLS-UHFFFAOYSA-N
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-rxn:5:189667:226328:226350,COC(=O)c1c(C)ccc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3ccc(C(C)(C)C#N)c(F)c3)c2)c1C,VYYFKHSTHKAWPN-HLPADPFCSA-N
-rxn:5:189672:225633:226050,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(N3CCCCCC3)nc2)c1-c1c(F)cc(OC(F)(F)F)cc1F,XFNSPOQBISTTER-IZYHBKOJSA-N
-rxn:5:189673:226028:227530,COC(=O)c1ccc(F)c(-c2cc(-c3ccc(C(F)(F)F)c(C#N)c3F)ccc2/C=N/S(=O)C(C)(C)C)c1,FLXDSBHOMRNBMN-HBHSWBPBSA-N
-rxn:5:189826:225797:226050,CC(C)(C)c1ccc(-c2cc(-c3c(F)cc(OC(F)(F)F)cc3F)ccc2CC(=O)N2CCOCC2)cc1[N+](=O)[O-],QPOUMUKNZGUIMU-UHFFFAOYSA-N
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-rxn:5:189909:222985:226449,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2ccccc2C2(C)OCCO2)cc1CCN1CCOCC1,UYENWFJMGJJRTP-UHFFFAOYSA-N
-rxn:5:189909:225834:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2cc(N3CCCCC3)ncc2F)c(CCN2CCOCC2)c1,GQVXRGRKZYVTCQ-UHFFFAOYSA-N
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-rxn:5:189952:223056:223113,COc1c(-c2ccc(N3CCC(O)CC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,OMAJQRDCIUIPOF-UHFFFAOYSA-N
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-rxn:5:189952:227769:226181,COc1ncc([N+](=O)[O-])cc1-c1cc(C(=O)N2CCOCC2)cc(-c2ccc(C3=CCCCC3)nc2)c1OC,WXXPNVPXIWCTIY-UHFFFAOYSA-N
-rxn:5:190000:226450:223065,CC1(c2cccc(-c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3CC(=O)N3CCCCC3)c2)OCCO1,GCSQCJMYSOLJGA-UHFFFAOYSA-N
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-rxn:5:190127:227513:225515,COc1nc(OC)c(-c2ccc(-c3cccc4c3OCC(C)(C)CO4)c(C(=O)N3CCC(OC)CC3)c2)cc1C,SZMSIEPLVJVKCJ-UHFFFAOYSA-N
-rxn:5:190132:228368:225636,COC1CCN(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3C)cc2-c2ccnc(N3CCC(C)CC3)c2)CC1,LPLCRSILRKWWSU-UHFFFAOYSA-N
-rxn:5:190194:222989:223388,COC1CCN(Cc2cccc(-c3ccc(N4CCNCC4)cc3C)c2-c2ccc(S(=O)(=O)O)cc2)CC1,KZFPXROPZVXMOX-UHFFFAOYSA-N
-rxn:5:190194:223388:223006,COC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2-c2ccc(F)c(C3CCNCC3)c2)CC1,AXZXKVZMEWHUDB-UHFFFAOYSA-N
-rxn:5:190194:226050:222960,COC1CCN(Cc2cccc(-c3c(F)cc(OC(F)(F)F)cc3F)c2-c2cc(C)cc(C3CCNCC3)c2)CC1,HAMZXMUKCQFWKM-UHFFFAOYSA-N
-rxn:5:190195:223113:225784,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(CN3CCOCC3)nc2)c1)C1CCOCC1,BXXMNWIEBQTQAY-UHFFFAOYSA-N
-rxn:5:190195:223113:225803,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccnc(OC3CCOCC3)c2)c1)C1CCOCC1,RODYLSRIMDHEBX-UHFFFAOYSA-N
-rxn:5:190195:225441:227546,COC(=O)c1cccc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cc(C3CC3)cnc2C(C)(C)C)c1F,RQJWRNUNXBNLEG-UHFFFAOYSA-N
-rxn:5:190196:226645:223113,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DFHWLRXGKZSZJS-UHFFFAOYSA-N
-rxn:5:190201:223113:225976,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccnc(N3CCOCC3)c2F)CCO1,UAKOFGJPDIGAGJ-UHFFFAOYSA-N
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-rxn:5:190336:225831:226779,COc1c(-c2ccc(C(=O)C(F)(F)F)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1cnc(N2CCOCC2)c(C)c1,NXWFWZQGCMAMJS-UHFFFAOYSA-N
-rxn:5:190404:225932:226772,COC(=O)c1cc(F)c(-c2ccccc2C2CCN(C(=O)c3ccc(-c4ccc(N(C)C)c(C(F)(F)F)c4)o3)CCS2)c(F)c1,FWYKDSIQWGJPCP-UHFFFAOYSA-N
-rxn:5:190484:223135:227506,O=C(c1cccc(-c2cccnc2C2CCCNC2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,TZFAUAWNVPKJCM-HMMYKYKNSA-N
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-rxn:5:226464:178118:226432,COc1ccc2c(c1-c1ccc(-c3ccc(C4CCCC4)nc3F)cc1OCC1CCCCO1)OCCO2,UWJFSQHMDFLGFN-UHFFFAOYSA-N
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-rxn:5:226652:181904:223061,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2cc(C3CCNCC3)ncc2F)n(C2CCCCO2)n1,KZSSSPHJQRGDHT-UHFFFAOYSA-N
-rxn:5:226686:193541:223135,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)cc(-c2cccnc2C2CCCNC2)c1,DHEQGFHPKWIVPF-UHFFFAOYSA-N
-rxn:5:226686:196870:223064,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCOCC2)c1,HQOALZOFYLOLHI-UHFFFAOYSA-N
-rxn:5:226686:196970:223058,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1cc(F)nc(C2CCCNC2)c1,BXPLOACDZIEDNF-UHFFFAOYSA-N
-rxn:5:226910:178295:227812,CCC(C)(C)c1ccc(-c2ccc(-c3cccc(CC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,XYFLLBUXZUCJSM-UHFFFAOYSA-N
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-rxn:5:226914:178295:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,UGRMNENHIPJVPC-UHFFFAOYSA-N
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-rxn:5:226920:178295:227822,COC(=O)C1(c2cc(-c3c(C)cccc3C(C)C)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,ISALGFCBKARYKI-UHFFFAOYSA-N
-rxn:5:226925:178295:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C3CC3)cc(C)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,HSKSAAAGCIIWIR-UHFFFAOYSA-N
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-rxn:5:227049:178295:227933,CCOc1c(C)cc(-c2ccc(-c3cc(OC)ccc3CC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,PAHVCQBFSLWVPY-UHFFFAOYSA-N
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-rxn:5:227108:193506:227379,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)ccc3F)cc2-c2cccnc2N2CCCC2)CC1,UJTSRRZSCUSKMB-UHFFFAOYSA-N
-rxn:5:227287:178295:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2ccc(C(C)C)nc2OC)CCC(=O)CC1,HEHYUWWBJMIWOZ-UHFFFAOYSA-N
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-rxn:5:227588:180662:225499,COC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)cc3F)cc(-c3c(OC)cc(F)cc3OC)c2OC1,LBYWNVCBIQMULN-UHFFFAOYSA-N
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-rxn:5:227819:191026:227352,CCc1cc(CC)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)ccc4C(=O)OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,NOMSEJWIFOLAAQ-UHFFFAOYSA-N
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-rxn:4:187311:224614,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(N(C)C(=O)OC(C)(C)C)cc2)C1,XHPCEPDEFSMSCW-UHFFFAOYSA-N
-rxn:4:187320:223873,CCOc1cccc(-c2ccccc2CCC(=O)N2CCC(C)CC2)c1CN1CCC(F)(F)CC1,DGVUTRJMTPBIJX-UHFFFAOYSA-N
-rxn:4:187325:225379,COC(=O)c1cc(F)c(N2CCC(OC)CC2)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,FGSQOHWDOPUWMM-UHFFFAOYSA-N
-rxn:4:187326:225341,CCOc1ccc(OC(F)(F)F)c(-c2cc(OC)c(C(=O)N3CCC(F)CC3)c(OC)c2)c1,XRPZUHDAGRSFQX-UHFFFAOYSA-N
-rxn:4:187328:222818,COC(=O)c1cc(-c2ccc(C3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)c(F)cc1NC(C)=O,BGFCYHIQAPYVJO-UHFFFAOYSA-N
-rxn:4:187353:223508,CC(C)[Si](c1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)co1)(C(C)C)C(C)C,CFMVMJDAPAUWEK-UHFFFAOYSA-N
-rxn:4:187357:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(CN4CCCCC4)c(OC)c3)c(F)c2)CC1,FUXULEQNIKFVPP-HZCBDIJESA-N
-rxn:4:187377:224977,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)c(C#N)c3)cc2)CC1,KWELDABOZIDGTR-UHFFFAOYSA-N
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-rxn:4:187504:223959,CCN1CCN(C(=O)c2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc2Cl)CC1,TZVVEJJWZBJWKY-UHFFFAOYSA-N
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-rxn:4:187543:225187,COc1cc(-c2cc(Cl)ccc2CN2CCOCC2)cc(OC)c1CN1CCCC(C)C1,UKOWOBCFQDDDID-UHFFFAOYSA-N
-rxn:4:187555:225176,O=C(CCc1ccccc1-c1ccc(CN2CCOCC2)c(Cl)c1)N1CCC2(CC1)OCCS2,XWJITTZUPHCANT-UHFFFAOYSA-N
-rxn:4:187574:222886,CC(C)(C)OC(=O)N1CCC(c2ccccc2-c2ccc(N3CCNCC3)cc2C#N)CC1,KAFRQQMKWWXZLE-UHFFFAOYSA-N
-rxn:4:187580:226246,CCCCOc1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)o2)c1F,LMZIBAAMDHSUDP-UHFFFAOYSA-N
-rxn:4:187616:222929,O=C(c1ccccc1-c1cnc(Cl)c(N2CCC(O)CC2)c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,SBQYACNTRHKJJW-UHFFFAOYSA-N
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-rxn:4:187634:227446,O=C(C1CCCCC1)N(c1ccc(-c2ccc(C3OCCO3)cc2)cc1)C1C=CS(=O)(=O)C1,WRIDLFNXGPSBKD-UHFFFAOYSA-N
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-rxn:4:187668:226056,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2c3c(cc4c2CCC4)CCC3)cc1,VYIUWAULZTURHJ-UHFFFAOYSA-N
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-rxn:4:187679:222486,O=C(c1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1)N(C1CCCCC1)C1CCCCC1,MRVSZYXNJCYPRZ-UHFFFAOYSA-N
-rxn:4:187692:225594,O=C(c1ccc(-c2ccc(F)cc2CN2CCCC2)c(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2,VLPRZPMLIXNTJN-UHFFFAOYSA-N
-rxn:4:187693:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)c(F)c2)CC1,POYXIOVUASRBJK-UHFFFAOYSA-N
-rxn:4:187693:225978,O=C(c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,NOCFSUPLTKBTFS-UHFFFAOYSA-N
-rxn:4:187742:223844,COCCCN1C(=O)C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)ccc21,HLTWDUCKNQQBGX-UHFFFAOYSA-N
-rxn:4:187750:222696,CCOC(=O)c1cnc2c(C(F)(F)F)cc(-c3ccc(F)c(C(=O)N4CCC(O)CC4)c3)cc2c1Cl,MZAJOVYJBRGMMF-UHFFFAOYSA-N
-rxn:4:187808:222744,COCCCN1Cc2cc(-c3ccccc3CNC(=O)OC(C)(C)C)ccc2OCC1=O,JGZCAEMRZYTVOI-UHFFFAOYSA-N
-rxn:4:187827:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c2c1ccn2C(=O)OC(C)(C)C,XGBCNKNPYHRWEQ-UHFFFAOYSA-N
-rxn:4:187916:227610,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccn(C2CCCCO2)n1,XLBMATHGSDWLHU-UHFFFAOYSA-N
-rxn:4:187920:224330,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1ccc(Cl)c(C(=O)N2CCC(=O)CC2)c1,FJSXXZMCRUIZFS-UHFFFAOYSA-N
-rxn:4:187924:224405,CCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCCC1,UNAPJHPZYSYZPZ-UHFFFAOYSA-N
-rxn:4:187945:225625,COC(=O)C1=Cc2cc(-c3cc(OC4CCCC4)ccc3F)ccc2N(CC(C)C)CCC1,OAOKJHAOYFBFKG-UHFFFAOYSA-N
-rxn:4:187961:222680,COC(=O)Cc1cc2c(n1-c1ccc(-c3cccc(NC(=O)OC(C)(C)C)c3OC)cc1)CC(C)(C)CC2=O,UTUGAOYKDIFOSJ-UHFFFAOYSA-N
-rxn:4:187962:225104,CCN(CC)C(=O)c1ccc(F)c(-c2cc(F)c3c(c2)C(C)(C)N(Cc2ccc(OC)cc2OC)C3=O)c1,SQBXPBBDJPJWDV-UHFFFAOYSA-N
-rxn:4:187968:223687,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc21,XRMNFGCGSFAGRE-UHFFFAOYSA-N
-rxn:4:187971:223883,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc21,BUVLYHOFSOXJIF-UHFFFAOYSA-N
-rxn:4:188730:223683,CC(=O)Cc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1[N+](=O)[O-],HGJHCOUSIITYOH-UHFFFAOYSA-N
-rxn:4:188829:223559,CCOC(=O)c1ccc(C)nc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,VGWPHNRPKZPPSU-UHFFFAOYSA-N
-rxn:4:189002:223840,COc1ccc(-c2cnc(OC(C)C)c([B-](F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,VGULWLYAAUVVRM-UHFFFAOYSA-N
-rxn:4:189339:223712,COc1ccc(-c2cnc(OCC3CCCO3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,OPCBTTNWXCLAIO-UHFFFAOYSA-N
-rxn:4:189505:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)ccc1Cl,LSYWSRXCOFLECH-UHFFFAOYSA-N
-rxn:4:189599:223602,Cc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,MKWHFEFWKGVGMX-UHFFFAOYSA-N
-rxn:4:189601:224189,COc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(C)c2)ccc1O[Si](C)(C)C(C)(C)C,HENTXBUEJJWHIK-UHFFFAOYSA-N
-rxn:4:189703:224018,COC(=O)C1CC(=O)N(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)c2)C1,CDMQSABDCIMJMJ-UHFFFAOYSA-N
-rxn:4:189849:223537,CC(C(=O)c1ccc(-c2cc3cc(OC(F)(F)F)ccc3n2C(=O)OC(C)(C)C)cc1)N1C(=O)CCC1=O,UVPUOCDCXNRZQJ-UHFFFAOYSA-N
-rxn:4:189872:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCSCC3)cc2C)c1,VMRKEWUROKTWDJ-UHFFFAOYSA-N
-rxn:4:189872:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(F)(F)F)cc1C(=O)N1CCSCC1,LNWAOCISSFOTFD-UHFFFAOYSA-N
-rxn:4:189960:223712,COc1ccc(-c2cc(F)c(C(=O)N3CCOCC3)c(OC)c2)cc1C12CC3CC(CC(C3)C1)C2,BZNXLMQDKGYRKH-UHFFFAOYSA-N
-rxn:4:189972:222835,CC(C)CC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(C(F)(F)F)c2)cc1,OPBSCRNSMVCYRB-UHFFFAOYSA-N
-rxn:4:190116:222713,CCc1cc(-c2cc(OC)ccc2S(=O)(=O)NC(C)(C)C)ccc1S(=O)(=O)N1CCCC1,QHFIXYUVOYMVJG-UHFFFAOYSA-N
-rxn:4:190124:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4CCCCC4)nc3C(=O)OC)c(F)c2)CC1,OAGKHYBLOKTRNL-UHFFFAOYSA-N
-rxn:4:190162:224061,CCCC1CCC(c2ccc(-c3cc(C(=O)N4CCC(F)(F)CC4)cc(Cl)c3OC)c(F)c2)CC1,QKPNWBVXQIUVGI-UHFFFAOYSA-N
-rxn:4:190166:222938,O=C(NCC(F)(F)F)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1,VGKCYGJDINPLSB-UHFFFAOYSA-N
-rxn:4:190168:225144,COC(=O)c1cc(F)c(N2CCC(F)(F)CC2)cc1-c1ccc(N2CCOCC2)cc1C#N,OKGYBIFBPFQSJL-UHFFFAOYSA-N
-rxn:4:190202:224414,CN(Cc1ccc(F)c(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)c1)C1CCOCC1,BHSCQNSUOVWXDZ-UHFFFAOYSA-N
-rxn:4:190216:223652,COc1ccc(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCCCC1,OVXGFHOFYIIEIR-UHFFFAOYSA-N
-rxn:4:190221:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(CN4CCC(F)(F)CC4)c(OC)c3)c2)CC1,AVNBTIJBGQDRAQ-UHFFFAOYSA-N
-rxn:4:190254:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(CC(=O)N4CCC(C)CC4)cc3)cc2)CC1,MZXDHNUYZHMLMJ-UHFFFAOYSA-N
-rxn:4:190256:222723,COc1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)ccc1OC1CCN(C)CC1,KQUAWABXPYRHHX-UHFFFAOYSA-N
-rxn:4:190257:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1OC1CCN(C)CC1,DMEDHWZZUTXJPA-UHFFFAOYSA-N
-rxn:4:190272:225361,CC1CCCN(C(=O)Cc2ccc(F)cc2-c2cn(C3CCCC3)nc2C(F)(F)F)C1,UQDARCJQMNVJFH-UHFFFAOYSA-N
-rxn:4:190276:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C(=O)N(C)C4(C)CCS(=O)(=O)C4)cc3)cnc21,HHRFFDAREPPYOH-UHFFFAOYSA-N
-rxn:4:190342:223530,CC(c1ccccc1-c1cc(F)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1)N1CCCC(C(F)(F)F)C1,RMTDFBBHLNNZIQ-UHFFFAOYSA-N
-rxn:4:190355:222981,CC1CCN(S(=O)(=O)c2cc(-c3ccnc(NC4CCCCC4)c3)cc(C(F)(F)F)c2)CC1,MPYZWRMFCNXPQK-UHFFFAOYSA-N
-rxn:4:190373:225297,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCC2)c1,NOQONZASHHDUFG-UHFFFAOYSA-N
-rxn:4:190386:224958,CCC(=O)C1CCCN(c2ccc(-c3cccc(OCC4CCCCO4)c3)cc2C)C1=O,JCYWPCMVMPYSAR-UHFFFAOYSA-N
-rxn:4:190389:224704,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)c2)CC1,PBVGYESAPDFJFV-UHFFFAOYSA-N
-rxn:4:190392:224078,CC(C)C(=O)C1CCCN(c2ccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)cc2F)C1=O,RZZYKVJCDVUPIY-UHFFFAOYSA-N
-rxn:4:190433:224991,Cc1cc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,FQILXLBEESOFKX-UHFFFAOYSA-N
-rxn:4:190444:225189,Cc1cc(S(=O)(=O)N2CCOCC2)c(C(C)C)cc1-c1cccc(CN2C(=O)CCC2=O)c1,KMDYKZHMOLKITQ-UHFFFAOYSA-N
-rxn:4:190484:223835,Cc1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,XKEJVUBHNBDOCB-UHFFFAOYSA-N
-rxn:4:190485:224976,N#Cc1c(-c2cccc(C(=O)N3CCC(c4ccccc4F)S(=O)(=O)CC3)c2)cccc1N1CCCCC1,WPDJFJRAZKXRCQ-UHFFFAOYSA-N
-rxn:4:190674:223559,COC(=O)c1c(OC)ccc2nccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c12,QARZHLOBEYMFOU-UHFFFAOYSA-N
-rxn:4:190678:224059,CCOC(=O)C1C=Nc2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)ccc2C1=O,XTXFCQMTNURCOR-UHFFFAOYSA-N
-rxn:4:190749:223812,COCCN1C(=O)CCc2cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)ccc21,YRSBMJWFUOVYJC-UHFFFAOYSA-N
-rxn:4:190858:223596,COC(=O)c1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc2c1CCN2C(C)C,MRHFRHBTYCEWLE-UHFFFAOYSA-N
-rxn:4:190894:223712,COC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc2c1c(C)cn2C(C)C,AFHZKFDOLPVQLQ-UHFFFAOYSA-N
-rxn:4:190926:222908,CC(C)(C)OC(=O)Nc1cncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)c1,PSFBBCYXODJLRL-UHFFFAOYSA-N
-rxn:4:190948:224821,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)ccc2S1(=O)=O,WBGRPMWFJNSIJJ-UHFFFAOYSA-N
-rxn:4:190972:225456,CN1CCC(c2ccc(-c3ccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)o3)cc2)CC1,PFDPIHGRFNSFIF-UHFFFAOYSA-N
-rxn:4:190991:225338,CC(C)(C)OC(=O)N1CCSc2cc(-c3ccc(F)c(COCC(F)(F)F)c3)ccc2C1,DKXSZVOJGPINSV-UHFFFAOYSA-N
-rxn:4:191015:223996,COc1cc(C)c(-c2ccc(N3CCN(C)CC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCc2ccccc21,LRYWDKQLTZFVEP-UHFFFAOYSA-N
-rxn:4:191030:222782,Cc1cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cnc1NC(=O)OC(C)(C)C,RFXDZCGTAHVWMT-UHFFFAOYSA-N
-rxn:4:191036:222758,Cc1cc(-c2ccc3c(c2)CC(C)N(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,NDVLDHGVYFPZCV-UHFFFAOYSA-N
-rxn:4:191062:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,QJLCKLXRTWUPKU-UHFFFAOYSA-N
-rxn:4:191062:224846,CCC1CCC(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)cc2)CC1,JCIYSMKQSBSAIE-UHFFFAOYSA-N
-rxn:4:191062:224884,CC1CCN(Cc2cccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)CC1,MWDHKXXTASGXEF-UHFFFAOYSA-N
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-rxn:4:203939:223972,CC1CCCCN1c1ccc(-c2cccc(N3CCN(S(=O)(=O)C4CC4)CC3)c2)c(C(F)(F)F)c1,YRQRVQPAIDDUJX-UHFFFAOYSA-N
-rxn:4:203940:225354,CCOc1cc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)cc(C(F)(F)F)c1F,DDGIEOLXKAGCEB-UHFFFAOYSA-N
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-rxn:4:203972:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C,MIOOEPYYIYJWPA-UHFFFAOYSA-N
-rxn:4:203987:222930,O=C(c1cc(-c2cnc(Cl)c(N3CCCC(O)C3)c2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,GKWFRQBYTFNGSI-UHFFFAOYSA-N
-rxn:4:203987:227294,Cc1cnc(OC(C)C)c(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,GYDGADPOEXWANR-UHFFFAOYSA-N
-rxn:4:204019:225805,CC(c1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)s1)N1CCOCC1,ZGYUDIUUNATWEO-UHFFFAOYSA-N
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-rxn:4:204780:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,RPMSAAKSPGQAML-UHFFFAOYSA-N
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-rxn:4:204808:226679,O=C(C1=CN(c2ccc(-c3cnc(N4CCCC4)cc3F)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1,JHGAXCFQQMNAIF-UHFFFAOYSA-N
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-rxn:4:204918:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc3oc4c(c(=O)c3c2)C(c2ccccn2)N(Cc2ccccc2)C4=O)CC1,SLPOXIRKKKWZSA-UHFFFAOYSA-N
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-rxn:4:206593:223606,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1N1CCCCC1,UMIAOOGTGVITAL-UHFFFAOYSA-N
-rxn:4:206647:224126,CCN1CCN(C(C)c2cccc(-c3ccc(N4CCCC(F)(F)C4)c(C#N)c3)c2)CC1,SUEJZCLPAJILRN-UHFFFAOYSA-N
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-rxn:4:206785:222466,COC1CCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,UTNYZEQFFHSDJN-UHFFFAOYSA-N
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-rxn:4:206844:224011,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)CC1,RORYGZLJYZNMBN-UHFFFAOYSA-N
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-rxn:4:206929:222538,CN1CCN(Cc2ccc(F)cc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)CC1,ICDKVHHVPRGOPM-UHFFFAOYSA-N
-rxn:4:206944:224395,CC1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)nc2)CC1,UBOBGJIEMHXGPG-UHFFFAOYSA-N
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-rxn:4:206966:223508,N#Cc1cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)ccc1N1CCC2(CC1)CC2,PFHRAQJUWPUHLQ-UHFFFAOYSA-N
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-rxn:4:207073:223508,CN1CCN(c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)c(C3CC3)c2)CC1,YNBDGDNPEYGKOA-UHFFFAOYSA-N
-rxn:4:207447:223712,COc1ccc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc1C12CC3CC(CC(C3)C1)C2,QXQKPPAYTCYRTJ-UHFFFAOYSA-N
-rxn:4:207736:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,GSIAHXCEOWGCHV-UHFFFAOYSA-N
-rxn:4:207843:224877,CCN1CCN(C2CCCc3cc(-c4ccc(COC5CCCCC5)cc4)ccc32)CC1,MRRVNCJQSYWRTE-UHFFFAOYSA-N
-rxn:4:207854:222958,Cc1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1C1CCNCC1,PUYXMNAPARMNHF-UHFFFAOYSA-N
-rxn:4:207854:225674,Fc1cc(C2CCCCC2)ncc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,XLKAZDKQAIPXQQ-UHFFFAOYSA-N
-rxn:4:207856:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,YOSULBAKBGNOGZ-UHFFFAOYSA-N
-rxn:4:207890:225043,Cc1c(-c2ccc(OC3CCCCC3)c(F)c2)cnn1CC12CC3CC(CC(C3)C1)C2,YLJIDXDQFGRHFR-UHFFFAOYSA-N
-rxn:4:207943:223786,CN1CCN(CCCOc2ccc(-c3ccc(N4C(=O)c5cccc6c(N7CCOCC7)ccc(c56)C4=O)cc3)cc2Cl)CC1,RCOKLRNQTXLPAT-UHFFFAOYSA-N
-rxn:4:207959:223141,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(C5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,KLGYEJIJNIISDY-UHFFFAOYSA-N
-rxn:4:207959:226056,Cc1ccc(C2=NN3C(C2)c2cc(-c4c5c(cc6c4CCC6)CCC5)ccc2OC3C2CCCCC2)cc1,CRYOPNQPQZNJMO-UHFFFAOYSA-N
-rxn:4:209214:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc(N4CCOCC4)n3)cc2Cl)CC1,SUXQRFCVFHNPMQ-UHFFFAOYSA-N
-rxn:4:209507:223697,O=S(=O)(c1ccc(-c2ccncc2N2CCC(F)(F)C2)c(C(F)(F)F)c1)N1CCCCC1,MKTCHCCEYYKGHJ-UHFFFAOYSA-N
-rxn:4:209728:223660,CC1CCN(c2nc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cs2)CC1,MSIIMJQIDRPPPH-UHFFFAOYSA-N
-rxn:4:209889:223835,Cc1cc(F)c(-c2cnc(N3CCC(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,MAQZTZYESAVKPA-UHFFFAOYSA-N
-rxn:4:211068:224194,CCN1CCN(Cc2ccc(-c3ccc4c(c3)N3CCCC3=C(C#N)S4(=O)=O)cc2Cl)CC1,TWKIIBPTVDLNQJ-UHFFFAOYSA-N
-rxn:4:211068:224330,N#CC1=C2CCCN2c2cc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)ccc2S1(=O)=O,CDKPIRVQGGMSEX-UHFFFAOYSA-N
-rxn:4:212414:223500,CN1C(=O)C(C)(C)c2ncc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,MKDVIZJOJQDHAJ-UHFFFAOYSA-N
-rxn:4:212492:223785,CCN1CCN(CCOc2ccc(-c3ccc4c(c3)CCc3cccnc3C4=C3CCN(C)CC3)cc2Cl)CC1,VTRCMFDJYJTUNL-UHFFFAOYSA-N
-rxn:4:212514:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cn(COCC[Si](C)(C)C)c([N+](=O)[O-])n1,AGIOOPRYVYDINP-UHFFFAOYSA-N
-rxn:4:212545:222788,CC(C)(C)OC(=O)Nc1ccc(-c2cnn(CC3CN(S(=O)(=O)c4ccccc4OC(F)(F)F)C3)c2)c(F)c1,VMVLWVDVNFSMEK-UHFFFAOYSA-N
-rxn:4:212547:223671,CCOCCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,OBHSXJCOWPAQJA-UHFFFAOYSA-N
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-rxn:4:212615:224593,CC1CCN(Cc2cc(-c3cncc(C(=O)OCC(=O)N4CCN(c5ccc(F)cc5)CC4)c3)ccc2F)CC1,JWNHKRXIHNCHEU-UHFFFAOYSA-N
-rxn:4:212644:226427,CC1CCN(c2csc(-c3cnc(OCC4CCCN(S(=O)(=O)Cc5ccc(F)cc5)C4)nc3)c2)CC1,UOHAFZLGBBEOQA-UHFFFAOYSA-N
-rxn:4:212649:224718,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,LRSKLIBYASLBHR-UHFFFAOYSA-N
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-rxn:4:212906:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cncc(OC3CN(C(=O)OC(C)(C)C)C3)n2)cc1,YVTKUBQRVFNSAU-UHFFFAOYSA-N
-rxn:4:212943:222595,CCOC(=O)N1CCN(c2ncc(-c3cccc(C(=O)Nc4ccc(F)c(F)c4)c3)cc2C(F)(F)F)CC1,LMLGJNWIQSIQFO-UHFFFAOYSA-N
-rxn:4:213010:225898,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,WRPZLRSOWPLTOY-FQEVSTJZSA-N
-rxn:4:213057:224613,CCc1ncnc(OC2CCN(C(=O)c3ccccc3-c3cccc(N(C)C(=O)OC(C)(C)C)c3)C2)c1F,AJCCWHXOXJRBCN-UHFFFAOYSA-N
-rxn:4:213058:224690,O=C1CCN(Cc2ccc(-c3cnc(OC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)c(F)c2)CC1,DWEOWNXNTFMFGQ-UHFFFAOYSA-N
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-rxn:4:213094:225007,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cccc(CN3CCCCC3)c2F)CC1,VACSZXWTTLLWLR-UHFFFAOYSA-N
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-rxn:4:213132:225875,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,MMSYHMSGRLIDHO-UHFFFAOYSA-N
-rxn:4:213135:222634,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,QSQKWGITABBELM-UHFFFAOYSA-N
-rxn:4:213139:228084,CCCOc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,GTKXMSSXDKBZRX-UHFFFAOYSA-N
-rxn:4:213151:223184,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCNCC4)nc3)cc(F)c2[N+](=O)[O-])CC1,ZTGVKTNYXLRZEF-UHFFFAOYSA-N
-rxn:4:213153:222748,O=C(NCC1CCCO1)c1cccc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])c1,KHWLWQNLAJDMFQ-UHFFFAOYSA-N
-rxn:4:213159:223670,COc1cc(N2CCN(C(=O)Cc3ccccc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)ccn1,YRYNMDUZVCHBPY-UHFFFAOYSA-N
-rxn:4:213170:224757,O=C(c1cc(Cl)cc(-c2cccc(S(=O)(=O)N3CCN(CCc4ccccn4)CC3)c2)c1)N1CCOCC1,UEIWRKPBWJWNMD-UHFFFAOYSA-N
-rxn:4:213192:227445,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(C4CCC4)c3)n2)CC1,GCJSAJYNQNWKIV-UHFFFAOYSA-N
-rxn:4:213214:225347,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(OC(C)C)c(C(F)(F)F)c3)n2)CC1,XGJRGQFFXVAOGZ-UHFFFAOYSA-N
-rxn:4:213215:227056,COc1cccc(C2CC2)c1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,YCNADPVVSZJESZ-UHFFFAOYSA-N
-rxn:4:213216:227270,CCOCc1ccc(F)c(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1,OFLVSMMXKROFLN-UHFFFAOYSA-N
-rxn:4:213216:228340,COc1nc(C2CC2)sc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,NPHZLLJAUSZFJI-UHFFFAOYSA-N
-rxn:4:213217:227028,CCN1CCN(c2ncc(-c3cccc(C4(C#N)CC4)c3)cc2C(=O)OC(C)(C)C)CC1,CYXHJBSVUNJTJA-UHFFFAOYSA-N
-rxn:4:213218:222972,C[C@H]1CN(Cc2ccc(-c3ccccc3NC(=O)C(C)(C)C)cn2)CCN1C(=O)OC(C)(C)C,VBIVUACWEMERJB-IBGZPJMESA-N
-rxn:4:213220:228304,CC(C)Oc1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c([N+](=O)[O-])c2)cn1,CZZWZXZCKVQCDS-UHFFFAOYSA-N
-rxn:4:213222:225178,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccc(CN5CCOCC5)cc4F)o3)CC2)n1,YVNKOLWRNLZIEM-UHFFFAOYSA-N
-rxn:4:213223:223542,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,QLZGNPRGGVLSAB-UHFFFAOYSA-N
-rxn:4:213247:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnn(CC3CN(C(=O)C4(c5ccccc5)CCOCC4)C3)c2)CC1,ZWNKWRUBZSAGKQ-UHFFFAOYSA-N
-rxn:4:213266:224707,COC(=O)c1cc(Cl)cc2cc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)cnc12,XOJRDAHECJVOGM-UHFFFAOYSA-N
-rxn:4:213268:223091,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cnc(NC(=O)OC(C)(C)C)s4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,QXTPPQBLGOTQLY-JXFKEZNVSA-N
-rxn:4:213354:226844,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,MPXMTZBPOZTKQW-UHFFFAOYSA-N
-rxn:4:213381:224753,CCN1CCN(c2nc3ccc(OC(=O)c4ccc(-c5cc(S(=O)(=O)N6CCCC6)ccc5C)cc4)cc3s2)CC1,QLGNBNJXWONVBK-UHFFFAOYSA-N
-rxn:4:213407:223085,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5cnc(Cl)c(N6CCC(O)C6)c5)cc4s3)CC2)cc1,SFYUYAQJRSXZCE-UHFFFAOYSA-N
-rxn:4:213415:227787,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3cc(Cl)c(F)c([N+](=O)[O-])c3)cc1)SCC2)N1CCCCCC1,DMAKDJWLEVOWKU-UHFFFAOYSA-N
-rxn:4:213480:222847,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C#N)cc(C5CCCNC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UOIVUZAMWBUMNH-YKJUYZJUSA-N
-rxn:4:213480:226505,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(OCC(C)C)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DHNNTBLXXRJQOA-UCKIBBKRSA-N
-rxn:4:213481:223007,COC12CC(COC(=O)c3cncc(-c4cc(F)cc(C5CCNCC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,PGPFWNVYHNNJEW-UHFFFAOYSA-N
-rxn:4:213653:225684,Cc1nc(C2CCOCC2)ccc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,ABVJRZLRMCZOHA-UHFFFAOYSA-N
-rxn:4:213653:225765,CC(C)COc1c(F)ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1F,FRBGVLVMCYZNEN-UHFFFAOYSA-N
-rxn:4:213685:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(CC4CCOC4)C3)c2)cc1,FAGLVBBKWZAPKL-UHFFFAOYSA-N
-rxn:4:213698:223787,Cc1nc(C(=O)N2CCC(Oc3ccc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)C2)cs1,FBVJHTUBOASOQZ-UHFFFAOYSA-N
-rxn:4:213711:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ccco6)no5)C4)c3)ccc2OC)CC1,XEYVQYAOFVNILB-UHFFFAOYSA-N
-rxn:4:213715:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)C2)c1,ZTGXXOOVPTVAEN-UHFFFAOYSA-N
-rxn:4:213739:223841,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(Cl)cn4)C3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,LUNNPCKUUWYCEM-UHFFFAOYSA-N
-rxn:4:213778:224737,CCN1CCN(c2ccc(-c3ccc(OCC(C)C)cc3C(F)(F)F)c(C(=O)OC)n2)CC1,NLAUEXYTSYHJOU-UHFFFAOYSA-N
-rxn:4:213781:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc(C)cs5)CC4)o3)c3ccccc23)CC1,YAQQIAXARBWOLL-UHFFFAOYSA-N
-rxn:4:213794:223953,COCCN1CCN(c2cc(F)cc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)c2)CC1,WJEMENOCTMZJIB-UHFFFAOYSA-N
-rxn:4:213798:224759,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,CARNMGJTRVHDHX-UHFFFAOYSA-N
-rxn:4:213803:222584,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,YOLFZFCFGHAGBL-UHFFFAOYSA-N
-rxn:4:213834:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,WNQGOHOGHNEQAB-UHFFFAOYSA-N
-rxn:4:213886:222581,CC(C)NS(=O)(=O)c1ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc12,IAPIFWUTYLLXLG-UHFFFAOYSA-N
-rxn:4:213919:224396,Cc1cc(-c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)ccc1S(=O)(=O)N1CCOCC1,YVCJEWKSEYCRJW-UHFFFAOYSA-N
-rxn:4:213974:226472,CN(C)CCOc1cc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)ccn1,MEEXRZAJWIDXQS-UHFFFAOYSA-N
-rxn:4:213986:224818,Cc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,PHRCDBDQCOUERW-UHFFFAOYSA-N
-rxn:4:213994:226437,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2cc(C3CCCC3)ncc2F)c1,KJMFAXFCIPVBMW-QGZVFWFLSA-N
-rxn:4:214020:224391,Cc1cc(OC2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3C)CC2)nc(C)n1,LPWQGHITWAGCQP-UHFFFAOYSA-N
-rxn:4:214069:222604,COc1ccc(-c2ccc(-c3noc(C4CCCN(S(=O)(=O)c5ccc(C)cc5)C4)n3)cc2)cc1S(=O)(=O)NC1CCCC1,KNHBUAZGBJBRGY-UHFFFAOYSA-N
-rxn:4:214111:222519,CCOC(=O)Cn1c(=O)n(C)c2ncc(-c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)cc21,QKRSQXASVYOBMQ-UHFFFAOYSA-N
-rxn:4:214180:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)cc1,RLADNZDEHCJHAI-UHFFFAOYSA-N
-rxn:4:214203:225805,CC(c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(S(C)(=O)=O)CC3)c2)s1)N1CCOCC1,UPSGETRAYDMZKF-UHFFFAOYSA-N
-rxn:4:214220:222584,CC(C)(C)OC(=O)N1CCCC1c1nc2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ccc2[nH]1,KZKNSHYAHUEXHQ-UHFFFAOYSA-N
-rxn:4:214234:223033,CCCNC(=O)c1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(Cl)c1,QCKNLFMNCCNDJR-UHFFFAOYSA-N
-rxn:4:214274:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cccc2c1cnn2C1CCN(C(=O)OC(C)(C)C)CC1,TZRPGLTZRFAFCD-UHFFFAOYSA-N
-rxn:4:214306:224188,CC(C)N(C(=O)c1ccc(-c2cccc(C(=O)N3CCN(C(=O)c4cn(C)c5ccccc45)CC3)c2)c(Cl)c1)C(C)C,QRHGRRFDWYOENO-UHFFFAOYSA-N
-rxn:4:214347:222651,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3cc(C(=O)NC4CCCCC4)ccc3F)ccc21,NQYIRAIKHYWRBG-UHFFFAOYSA-N
-rxn:4:214357:224485,CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1,OHKYLYNBWUODPX-UHFFFAOYSA-N
-rxn:4:214361:222794,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4ccc(C(=O)Nc5cnccn5)cc4)ccc32)CC1,YPHBCILAKDXTJY-AMIUEWMLSA-N
-rxn:4:214480:222615,CC(C)Cc1cc(-c2cnc(C(=O)ON3C(=O)CCC3=O)cn2)cc(C2CCNCC2)c1,BWBOFXWEDILDNM-UHFFFAOYSA-N
-rxn:4:214586:223522,CC(=O)N1CCC(Oc2cnc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cn2)C1,MWEPXAQHLNGUAI-UHFFFAOYSA-N
-rxn:4:214628:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)c2)CC1,ARTWTFWGDPRVFE-UHFFFAOYSA-N
-rxn:4:214663:222972,Cn1ncc(-c2ccccc2NC(=O)C(C)(C)C)c1C(=O)N1CCCC(C(F)(F)F)C1,XTTZIFDPLNNPAH-UHFFFAOYSA-N
-rxn:4:214695:223540,CCN1CCN(Cc2ccc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)nc2)CC1,ILFMMKMRDYZJJV-UHFFFAOYSA-N
-rxn:4:214706:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CC2CCCN(S(C)(=O)=O)C2)cn1,QIFPGYFWEIMANV-UHFFFAOYSA-N
-rxn:4:214730:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)c2)CC1,SWAHVQMZYRMZAB-UHFFFAOYSA-N
-rxn:4:214730:225050,CC1CCN(c2cc(F)cc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)c2)CC1,STSVPUYNRNZUNH-UHFFFAOYSA-N
-rxn:4:214731:224768,O=C(c1c(F)cc(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1F)N1CCCC1,OCMQUPMGIFTASR-UHFFFAOYSA-N
-rxn:4:214742:222825,CN(C)C1CCN(c2ccc(C#N)c(-c3cc(Cl)ccc3S(=O)(=O)NC(C)(C)C)c2)CC1,BSAUKBCVAAGJHG-UHFFFAOYSA-N
-rxn:4:214753:222924,Cc1ccc(-c2cnc(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)cc1S(=O)(=O)NC(C)C,CFUCXSWYSZXURS-UHFFFAOYSA-N
-rxn:4:214753:222947,CC(C)N1CCN(C(=O)c2ncc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2Cl)CC1,ZDFBKGSBVDNSMJ-UHFFFAOYSA-N
-rxn:4:214753:223522,CC(C)N1CCN(C(=O)c2ncc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2Cl)CC1,VLYQVTFBICCVAW-UHFFFAOYSA-N
-rxn:4:214772:222607,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,PZVHBMSNMBKQMC-UHFFFAOYSA-N
-rxn:4:214772:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,AIPRIGHKYMZSFR-UHFFFAOYSA-N
-rxn:4:214775:224424,CCCC1CCC(c2ccc(-c3cnc(OC4CCN(C5CCSC5)CC4)nc3)cc2)CC1,ANYJODGNJKHWKM-UHFFFAOYSA-N
-rxn:4:214776:223665,CC(C)N1CCN(c2cc(-c3ccccc3COc3ccc(OC(F)(F)F)cc3)cc(F)c2[N+](=O)[O-])CC1,WPQGHQGFOPLMER-UHFFFAOYSA-N
-rxn:4:214818:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)c(F)c2)CC1,NEOSWGDJZZHKCZ-RZWCHVLBSA-N
-rxn:4:214821:226654,CC1CCN(c2nc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)c(F)c3)cs2)CC1,DABCHKOWAMEEBK-UHFFFAOYSA-N
-rxn:4:214837:223653,COc1cc2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)n(C(=O)OC(C)(C)C)c2cc1Cl,GAQVCILOYSGUQU-UHFFFAOYSA-N
-rxn:4:214838:227218,O=C(C1CN(c2ncc(-c3ccccc3OCCCF)cc2F)CCO1)N1CCOCC1,LUEDQAFZFBWXAI-UHFFFAOYSA-N
-rxn:4:214855:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,XSEHTRJXQKWOEW-UHFFFAOYSA-N
-rxn:4:214870:223712,COc1ccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1C12CC3CC(CC(C3)C1)C2,OBFZHUTVJDWCHY-UHFFFAOYSA-N
-rxn:4:214880:223285,Cc1cc(-c2ccccc2NS(C)(=O)=O)cnc1N1CCOC(C(=O)N2CCOCC2)C1,UXQRFBXXSLOCAM-UHFFFAOYSA-N
-rxn:4:214880:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c1Cl,HWXJPABREJWOTD-UHFFFAOYSA-N
-rxn:4:214880:227499,CCN(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cnc1Cl,SCLQYSVATHRLKA-UHFFFAOYSA-N
-rxn:4:214883:223378,O=C(C1CCN(c2ccncc2-c2cnc3c(c2)NCCO3)CC1)N1CCC(F)(F)CC1,JATHGJONDUAPDX-UHFFFAOYSA-N
-rxn:4:215027:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)c(F)ccc21,GURDKPYEGJCJJT-UHFFFAOYSA-N
-rxn:4:215066:223774,COc1cccc2c1cc(-c1cnn3c1N(C(=O)OC(C)(C)C)CCC3)n2C(=O)OC(C)(C)C,XAMCELJETMXCNS-UHFFFAOYSA-N
-rxn:4:215096:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3C)cc1,SQHPTXOCRWAWMV-UHFFFAOYSA-N
-rxn:4:215104:224421,CC(C)c1cc(C(C)C)c(-c2ncn3c2CCN(C(=O)OC(C)(C)C)CC3)c(C(C)C)c1,NNLURFTTYOFRHV-UHFFFAOYSA-N
-rxn:4:215170:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,JAWHFMJZINSXJA-UHFFFAOYSA-N
-rxn:4:215190:223712,COc1ccc(-c2ccccc2CN2CCC3CN(c4ccccn4)CC32)cc1C12CC3CC(CC(C3)C1)C2,XCMPXKSNSMHKNY-UHFFFAOYSA-N
-rxn:4:215198:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)cc1,HCPPPJGEEDWRMU-UHFFFAOYSA-N
-rxn:4:215277:223568,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)ccc2OC3c2ccncc2)cc1,IUKGFOJTOSBXCD-UHFFFAOYSA-N
-rxn:4:215304:222984,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN5CCC(O)C5)cc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,GVVQBSFKIAVRNK-UHFFFAOYSA-N
-rxn:4:215309:225898,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3cnn(CCN4CCOCC4)c3)cccc1-2,SDZFALPXMXDJEW-QFIPXVFZSA-N
-rxn:4:215685:222584,O=[N+]([O-])c1c(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnn1C1CCCCO1,FPDXVKZACPWQNH-UHFFFAOYSA-N
-rxn:4:215788:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(N4CCCCC4)c([N+](=O)[O-])c3)cc2F)CC1,NVQVMDPALWKDAL-UHFFFAOYSA-N
-rxn:4:215877:223660,CCN1CCN(c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,BYLKFZBEVLZCAE-UHFFFAOYSA-N
-rxn:4:215898:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)s2)CC1,JFEKMDQLALGMBP-UHFFFAOYSA-N
-rxn:4:215912:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c2)CC1,QDINEMUTNOUNPX-UHFFFAOYSA-N
-rxn:4:215915:224081,CN1CCN(c2cc(C(F)(F)F)c(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)cn2)CC1,ZRMLRWAXLHTIAU-UHFFFAOYSA-N
-rxn:4:215949:224011,CC(C)c1nc(N2CCN(C)CC2)sc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,DGIQIULHUMEFAQ-UHFFFAOYSA-N
-rxn:4:215990:223508,CN1CCC(N2CCN(c3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2)CC1,VGQXNDHFLAERBE-UHFFFAOYSA-N
-rxn:4:216196:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CC5CCCC5C4)c(C#N)c3)cc2)CC1,RPHFSGGZIBIBAM-UHFFFAOYSA-N
-rxn:4:216204:223748,COc1ccc2c(n1)c(-c1cc(N3CCCCC3)cc(N3CCCCC3)c1)nn2C1CCCCO1,MGYNPNJJJVXGMO-UHFFFAOYSA-N
-rxn:4:216213:223671,CC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2[nH]1,YLJSFZSMALGWFN-QHCPKHFHSA-N
-rxn:4:216221:223671,CC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3s2)CC1,OTRVXTUZJQGLMY-UHFFFAOYSA-N
-rxn:4:216319:224378,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)ccc3S2(=O)=O)n1,YNWFMPCWRZVUBJ-UHFFFAOYSA-N
-rxn:4:217857:223834,Cc1cc(-c2cnn(C)c2C23CCN(C)CC2O3)cc(C)c1S(=O)(=O)N1CCN(C)CC1,CAYCSOFVMYOUJE-UHFFFAOYSA-N
-rxn:4:217865:223687,C=C1CC2CCC(C1)N2c1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,PVJUYNNLUBPRRU-UHFFFAOYSA-N
-rxn:4:218569:224817,COCc1cn(C2CCN(C(=O)Cc3ccc(-c4ccccc4S(=O)(=O)N4CCOCC4)cc3)C2)nn1,GSQYLPIRBYYQBJ-UHFFFAOYSA-N
-rxn:4:218604:224393,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cn3)CC2)cn1,DCRVRGCJEVYMFG-UHFFFAOYSA-N
-rxn:4:218615:228016,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(C3CCCC3)cs2)cn1,QSRHUYASSMUKAX-UHFFFAOYSA-N
-rxn:4:218637:223686,Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2ccccc2-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)c1C,IGERVCCEIYJOFI-UHFFFAOYSA-N
-rxn:4:218675:224974,CN1CCN(Cc2ccccc2-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)CC1,RNYUNSGPPCVTKA-UHFFFAOYSA-N
-rxn:4:218677:224182,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCOCC6)c(C)c5)o4)CC3)nn2)cc1,FHPDCGSGXIEEMF-UHFFFAOYSA-N
-rxn:4:218678:222511,COc1cccc(-c2cc(C(=O)N3CCC(Oc4ncccc4-c4cc(C(=O)NC5CCCCC5)cc([N+](=O)[O-])c4)C3)n(C)n2)c1,CADSKBFICYRPNG-UHFFFAOYSA-N
-rxn:4:218682:225818,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(C(F)(F)F)cc4C4CC4)cn3)C2)CC1,SYHNFLRUBINJMP-UHFFFAOYSA-N
-rxn:4:218705:224842,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3)n[nH]2)CC1,YALCZYPBIIQEGB-UHFFFAOYSA-N
-rxn:4:218705:225984,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3)n[nH]2)CC1,VCIRCDLWEASBTE-UHFFFAOYSA-N
-rxn:4:218711:227726,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4cccn4)nc3)CC2)CC1,AMXPFHFRUFACRC-UHFFFAOYSA-N
-rxn:4:218777:223558,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2,JEOSJPWPBIVEKZ-UHFFFAOYSA-N
-rxn:4:218785:226025,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(OC4CCOC4)nc3Cl)cc1-2,OJBGOPBALMQIBY-UHFFFAOYSA-N
-rxn:4:218824:222632,CN(CC1CN(c2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,NQQAHHGUNOWPOY-UHFFFAOYSA-N
-rxn:4:218824:222732,CN(CC1CN(c2ncc(-c3ccc(C(=O)NC4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,OJWRZTNFPARJEA-UHFFFAOYSA-N
-rxn:4:218831:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c2)CC1,WLMGGNCTLCSEEH-UHFFFAOYSA-N
-rxn:4:218851:225313,CN1CCN(c2ccc(-c3cnc(N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)c(F)n2)CC1,XNDKVZUCNDSAMR-UHFFFAOYSA-N
-rxn:4:218854:223542,COCc1cn(C2CCN(C(=O)c3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)ccc3Cl)C2)nn1,WRAHGYWJCXCGIT-UHFFFAOYSA-N
-rxn:4:218867:225833,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCCC4)c3F)c2)no1,WPUBPPVZUPQCMV-UHFFFAOYSA-N
-rxn:4:218867:227404,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCCCC4)cs3)c2)no1,ZOGUNTSEEPJFRQ-UHFFFAOYSA-N
-rxn:4:218868:224153,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cc2)no1,BLDHGGHZJQNKDT-UHFFFAOYSA-N
-rxn:4:218877:223032,CCCNC(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)c(F)c1,HEXHBVSTPHIFEZ-UHFFFAOYSA-N
-rxn:4:218903:227722,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(SC(F)(F)F)c3)cc2C#N)CC1,TVKAWEOJZLAQCA-UHFFFAOYSA-N
-rxn:4:218919:224791,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(C(=O)OC(C)C)cc3[N+](=O)[O-])C2)cn1,QAELULNNZAHIKR-UHFFFAOYSA-N
-rxn:4:218972:224649,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(F)ccc4OCC4CCCCO4)cn3)C2)s1,MHSUNEQLWIGEQP-UHFFFAOYSA-N
-rxn:4:218976:226844,O=C1C(N2CCC(Oc3ncc(-c4ccnc(C(=O)C(F)(F)F)c4)cn3)CC2)CCN1CC(F)(F)F,HVEAVPRENGWUNJ-UHFFFAOYSA-N
-rxn:4:218977:225878,O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CC(Cn2cc(-c3cc(Cl)cc(N4CCOCC4)c3)cn2)C1,SHWJZQRDBBADKD-UHFFFAOYSA-N
-rxn:4:218992:222723,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)CC1,FCCAQRXGDZQIAC-UHFFFAOYSA-N
-rxn:4:218992:225120,CCCc1nc(-c2ccc(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)cc2)no1,PGKPWUKMKAAJMU-UHFFFAOYSA-N
-rxn:4:219001:225959,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cnc(-n4cnc(C)c4)c(Cl)c3)C2)C(=O)C1=O,GTJWKWXIXHJNKR-UHFFFAOYSA-N
-rxn:4:219066:223754,CC1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)C5CC(=O)N(c6ccccc6)C5)CC4)nc3)cc2Cl)CC1,JOAFGMIOLXXOMO-UHFFFAOYSA-N
-rxn:4:219120:224718,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)nc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XUCJPJZIEKAKPT-UHFFFAOYSA-N
-rxn:4:219129:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)CC1,DHWJHVZRDWZABP-UHFFFAOYSA-N
-rxn:4:219130:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c2)CC1,VOZOEWWYDVVFPI-UHFFFAOYSA-N
-rxn:4:219184:224690,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(CN5CCC(=O)CC5)cc4F)cc2)OC3)CC1,FZHTUDRLMDZRNF-UHFFFAOYSA-N
-rxn:4:219208:223573,CCC(Sc1nc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2c2nc3ccccc3n12)C(=O)N1CCOCC1,ITVQORNBXIOYIE-UHFFFAOYSA-N
-rxn:4:219245:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnn(C4CN(C(=O)OC(C)(C)C)C4)n3)c(F)ccc21,YFTVFVXIWIEWRA-UHFFFAOYSA-N
-rxn:4:219253:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccccc3C(=O)N3CC(Cn4ccnn4)C3)cn2)C1,KWQSPHDCLZRSMM-UHFFFAOYSA-N
-rxn:4:219281:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1C,KDGCMHKQIHMKGQ-UHFFFAOYSA-N
-rxn:4:219353:222976,Cc1cc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)ccc1C(=O)NC1CC1,GXEJNPMLPFRFKM-UHFFFAOYSA-N
-rxn:4:219402:225800,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(C(=O)N4CCSC4)cc3)cn2)CC1,PVAZSUGKNBDGPR-UHFFFAOYSA-N
-rxn:4:219402:225943,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(C(=O)N4CCOCC4)s3)cn2)CC1,XBBOWGPDNFKPOF-UHFFFAOYSA-N
-rxn:4:219453:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(C4CCN(C(C)C)C4=O)C3)c2)cc1,NBYWMGFKRHHGSE-UHFFFAOYSA-N
-rxn:4:219454:222638,Cc1c(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,KSSLTXGDKWMUQO-UHFFFAOYSA-N
-rxn:4:219466:222426,Cc1cccc(CN2CCC(Oc3ncc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cn3)CC2)n1,YZFOAHXHDZLIHN-UHFFFAOYSA-N
-rxn:4:219479:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(Cl)c(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)c1,HDVXWEMIYILAEZ-UHFFFAOYSA-N
-rxn:4:219479:225849,O=C(c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,JJZGYBDJKXZYSQ-UHFFFAOYSA-N
-rxn:4:219501:227571,CCOc1cc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,MSVHKULMCITWPB-UHFFFAOYSA-N
-rxn:4:219501:228143,CCCc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,GVTDSLWDNQYNIY-UHFFFAOYSA-N
-rxn:4:219529:228211,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cc(N2CCCC2)cs1,UFOBULVXRQHJQV-UHFFFAOYSA-N
-rxn:4:219543:225666,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(N5CCCCC5)c4)cc3)CC2)n1,VFACOXVYANUXKM-UHFFFAOYSA-N
-rxn:4:219563:223591,COc1ccc(N2CCN(c3ccc(-c4ccc(-c5cc(N6CCN(C(=O)OC(C)(C)C)CC6)ccc5F)cc4)nn3)CC2)cc1,JEGNCGKBAXALQQ-UHFFFAOYSA-N
-rxn:4:219565:223140,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,LYFBPJKCUXBPQA-UHFFFAOYSA-N
-rxn:4:219620:223695,CS(=O)(=O)c1cccc2sc(N3CC(Cn4cc(-c5cccc(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)cn4)C3)nc12,XHPWKASKODOINQ-UHFFFAOYSA-N
-rxn:4:219653:224398,Cc1cc(F)c(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1S(=O)(=O)N1CCCC1,OALPKMMXDOVJMT-UHFFFAOYSA-N
-rxn:4:219654:225980,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(N5CCOCC5)ncc4F)cc23)CC1,DUMDELPYPPRDSK-UHFFFAOYSA-N
-rxn:4:219702:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nc4c(c(=O)n(Cc5ccccc5)c(=O)n4C)n3Cc3ccccc3Cl)cc21,GBKKFSYXWXAZEQ-UHFFFAOYSA-N
-rxn:4:219704:224194,CCN1CCN(Cc2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cc2Cl)CC1,JCQORCVXIVTVQY-UHFFFAOYSA-N
-rxn:4:219707:227495,CCN(C)c1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)c(F)cn1,RVUNXHFDVOQOPJ-UHFFFAOYSA-N
-rxn:4:219758:222859,CN(C)CCNC(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc1,IJOXNYQAUAIXBL-UHFFFAOYSA-N
-rxn:4:219840:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(CCF)CC4)nc3)cnc2C1,XAGUKBQKSYFZBY-UHFFFAOYSA-N
-rxn:4:219904:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,SYROZMZUPRRTCX-UHFFFAOYSA-N
-rxn:4:219937:224253,CC1CCCCN1C(=O)c1cc(-c2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)ccc1F,AGSDCKIGPYTNGV-UHFFFAOYSA-N
-rxn:4:219950:225382,CSc1ncc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)c(N2CCN(C3CCC3)CC2)n1,OJLIEGGLDFBTFN-UHFFFAOYSA-N
-rxn:4:219953:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(c5cnn(C)c5)C4)c3)c2)CC1,VXDXSNPCAFXMHK-UHFFFAOYSA-N
-rxn:4:219954:222582,Cn1nccc1C1CCCCN1C(=O)c1cncc(-c2cccc(C(=O)NCCN3CCOCC3)c2)c1,KYSBLUWMTFZPOT-UHFFFAOYSA-N
-rxn:4:219955:223712,COc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,GUSJXAQPGLETNA-UHFFFAOYSA-N
-rxn:4:219962:224405,Cc1cc(-n2nnc(C(=O)N3CCSCC3)c2C)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCCC1,ZRLKUQQNBMDUDR-UHFFFAOYSA-N
-rxn:4:219975:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1,VJESHQYPHLQIJK-UHFFFAOYSA-N
-rxn:4:220134:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1ccnn1)C2,LKJCKXDYKDQBCH-UHFFFAOYSA-N
-rxn:4:220136:224672,CCN1CCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(Cl)c2)CC1,AKNASROJDDICGQ-UHFFFAOYSA-N
-rxn:4:220136:224679,O=C(c1cc(Cl)cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)c1)N1CCCCC1,HJSHBAZEQPUKNX-UHFFFAOYSA-N
-rxn:4:220136:224768,O=C(c1c(F)cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1F)N1CCCC1,XFRIGCOYUXQUIJ-UHFFFAOYSA-N
-rxn:4:220136:225218,CC1CCCN(c2ncc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2Cl)C1,GMPNHKUBVXDVQV-UHFFFAOYSA-N
-rxn:4:220137:224768,O=C(c1c(F)cc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)cc1F)N1CCCC1,UDKMHRAELUIUOS-UHFFFAOYSA-N
-rxn:4:220164:224017,O=S1(=O)CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nnc5ccccn45)CC3)cc2)c(C(F)(F)F)c1,PVGXFZZRPLXVDR-UHFFFAOYSA-N
-rxn:4:220205:223894,CN1CCN(CCCOc2cccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c2)CC1,KNVJDDHWMLGATA-UHFFFAOYSA-N
-rxn:4:220209:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1ccccc1S(=O)(=O)N1CCCc2cnc(N3CCOCC3)nc21,CPJLVMPYPKIUDG-UHFFFAOYSA-N
-rxn:4:220209:225805,CC(c1ccc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)s1)N1CCOCC1,HUMCXNZBCUTYRV-UHFFFAOYSA-N
-rxn:4:220429:222947,OC1CCCN(c2ncc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c(Cl)n2)C1,PFDPKAVQDGJKSZ-UHFFFAOYSA-N
-rxn:4:220540:225215,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccnc(N6CCC(C)CC6)c5Cl)cc4)C3C2=O)c1,XMRFQNLIXZFODL-UHFFFAOYSA-N
-rxn:4:220816:222389,Cn1nc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)nc1N1CCCCCC1,RJIFAABCHGBENI-UHFFFAOYSA-N
-rxn:4:221107:222583,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cn3)C2)c(=O)c1C,KTNFINHRIQWXKD-UHFFFAOYSA-N
-rxn:4:221110:223244,COc1cc2[nH]ncc2cc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,AXHIKTQRPYNNRX-UHFFFAOYSA-N
-rxn:4:221114:229145,CCOc1ccc(-c2cccc(Cl)c2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,DFVWXYNTLJEGJO-UHFFFAOYSA-N
-rxn:4:221128:223540,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC7(CC6)OCCO7)ccc5OC)cc4)nnn3c3ccccc23)C1,AIXUQDOGPOGTNN-UHFFFAOYSA-N
-rxn:4:221152:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCC(C)CC1,BOPFJCSDUXJLIN-UHFFFAOYSA-N
-rxn:4:221152:224718,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,OMSGKBUGFGOVGN-UHFFFAOYSA-N
-rxn:4:221173:224759,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)ccc1=O,QMDRSXUZCALVIZ-UHFFFAOYSA-N
-rxn:4:221175:227071,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(C)cc(COC)cc4C)cn3)C2)C(=O)C1=O,JEKHRRIFJCKBMW-UHFFFAOYSA-N
-rxn:4:221175:227402,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)nc(C(C)(C)C)c4)cn3)C2)C(=O)C1=O,PSYFJPAKOVXHGC-UHFFFAOYSA-N
-rxn:4:221175:228638,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)cc(C)c4Cl)cn3)C2)C(=O)C1=O,LPNJNLMGFNDAFO-UHFFFAOYSA-N
-rxn:4:221175:228643,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(Cl)c4C)cn3)C2)C(=O)C1=O,HLEQMRUILSPNLS-UHFFFAOYSA-N
-rxn:4:221175:228743,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)ccc4C#N)cn3)C2)C(=O)C1=O,DVRFIJRTUPRDBX-UHFFFAOYSA-N
-rxn:4:221175:228842,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(F)c4C)cn3)C2)C(=O)C1=O,IEBVTKDYBYQFPF-UHFFFAOYSA-N
-rxn:4:221175:228887,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)ncc4Cl)cn3)C2)C(=O)C1=O,UQIYZHOQQVNADG-UHFFFAOYSA-N
-rxn:4:221180:223755,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)CC2)nn1C,QYCWIAYUNBLUPG-UHFFFAOYSA-N
-rxn:4:221181:222715,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c4)cn3)C2)nn1C,CNOJYLUCQGFVKQ-UHFFFAOYSA-N
-rxn:4:221193:224108,COc1ccc(COc2ccccc2-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)cc1,HZALRFYRQJFQOD-UHFFFAOYSA-N
-rxn:4:221194:225827,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccnc(N5CCN(C)CC5)c4)cn3)CC2)cn1C,UVHOBFWXQQNSLV-UHFFFAOYSA-N
-rxn:4:221197:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CC(C(=O)N4CC(c5nc(-c6ccncc6)no5)C4)CC3=O)c2)cc1,CKHHNCQUVYEIMQ-UHFFFAOYSA-N
-rxn:4:221232:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c(F)c2)CC1,OAZHGFVGGAHXGZ-UHFFFAOYSA-N
-rxn:4:221240:223041,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(C(=O)NC5CC5)ccc4F)cn3)C1)CCC2,CVUMCVXERRYFJM-UHFFFAOYSA-N
-rxn:4:221297:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CN(c5nc(C6CC6)ns5)C4)c3)c(F)c2)CC1,TUFWWLQDJIJDRV-AQYVVDRMSA-N
-rxn:4:221326:223671,Cc1cc(C(=O)N2CC(Cn3cc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)nn1C,SOYVPXXUVYYHIL-UHFFFAOYSA-N
-rxn:4:221360:222694,Cn1cnc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c1,JODXUQYBVVXRMU-UHFFFAOYSA-N
-rxn:4:221369:224620,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)cn3)C2)ccc1=O,POKFPZVCJPBDAR-UHFFFAOYSA-N
-rxn:4:221410:222657,CN(C)c1cc(N2CCN(Cc3ccc(-c4ccc(F)c(C(=O)NC5CCCCC5)c4)cc3)CC2)ncn1,ORLVTHRZBQILHG-UHFFFAOYSA-N
-rxn:4:221414:226543,CCCOc1ccc(F)c(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)c2)c1F,BVAPLYMKULHOJI-UHFFFAOYSA-N
-rxn:4:221415:225871,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5C(=O)C=CC5=O)c4)cc3)CC2)n1,LEEBIMGRUJPYPM-UHFFFAOYSA-N
-rxn:4:221423:223025,CCCNC(=O)c1cc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)ccc1Cl,IZYZNXGRONIAQU-UHFFFAOYSA-N
-rxn:4:221432:222898,COC(=O)CNC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)cc1,QBAFULCVMZHEQT-UHFFFAOYSA-N
-rxn:4:221440:226675,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)nc4Cl)cc3)CC2)n1,SCVSKDGNKQWPAT-UHFFFAOYSA-N
-rxn:4:221440:227465,COCCOc1cncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,UETFIWUBPCDOFL-UHFFFAOYSA-N
-rxn:4:221444:223114,CCCNC(=O)c1cccc(-c2ccccc2CN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1,PENDIJHJTNFWOE-UHFFFAOYSA-N
-rxn:4:221456:228008,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C5CC5)c4)cc3)CC2)n1,NBOJIAWHEAUGDH-UHFFFAOYSA-N
-rxn:4:221456:228416,COc1cc(F)cc(F)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,DXDSQKYWNXJBIN-UHFFFAOYSA-N
-rxn:4:221642:225262,COc1cc(C(=O)N(C)OC)ccc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,LIXZBXFKFXSYKM-UHFFFAOYSA-N
-rxn:4:221680:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CC(Cn5nc6c(cc5=O)CCC6)C4)nc3)c2)CC1,LQCZKNPQGHODHK-UHFFFAOYSA-N
-rxn:4:221836:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,QFVATVCGWFSQKF-UHFFFAOYSA-N
-rxn:4:221836:224592,N#CC1(c2ccc(F)c(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CCCCC1,XMBNXHBSOHGEGD-UHFFFAOYSA-N
-rxn:4:221972:222788,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)c(F)c1,MCUBDJUTEGYITD-UHFFFAOYSA-N
-rxn:4:221977:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c2)CC1,MHZZGJBUWQEBAB-UHFFFAOYSA-N
-rxn:4:221978:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)cc2F)CC1,SXIVMBXDIMTFGH-UHFFFAOYSA-N
-rxn:4:221980:225975,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccnc(N6CCOCC6)c5Cl)c4)sc3n2)CC1,LNJMXGFNKGXCGA-UHFFFAOYSA-N
-rxn:4:222108:222884,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,UUANTRHRKKLNOA-UHFFFAOYSA-N
-rxn:4:222108:224169,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCCCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,LWISMQMSJUERDR-UHFFFAOYSA-N
-rxn:4:222108:224802,COC(OC)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,MSPVCXWNXYPSGV-UHFFFAOYSA-N
-rxn:4:222124:225295,O=C1C2N=NN(Cc3nc(-c4cccc(-c5ccccc5S(=O)(=O)N5CCCC5)c4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,WMEVRMORKRCVIW-UHFFFAOYSA-N
-rxn:4:222127:222707,Cn1nc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccnc(CNC(=O)OC(C)(C)C)c5F)cc4)n[nH]3)CC2)c2ccccc21,ZLIQJKXFSIKCCS-UHFFFAOYSA-N
-rxn:4:222185:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3[nH]nc4ncnc(N5CCN(c6ccccc6OC)CC5)c34)c(F)c2)CC1,JHDDHRAXUPPEDM-RQNOJGIXSA-N
-rxn:4:222219:223979,Cc1nc(C)c(F)c(N2CCN(c3ncc(-c4cc(C(=O)N5CCCCC5)cc([N+](=O)[O-])c4)cn3)CC2)n1,AFUOHRRLVPGMDV-UHFFFAOYSA-N
-rxn:4:222229:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c(F)cc(F)c2s1,BRVNTLJWSDXNIX-UHFFFAOYSA-N
-rxn:4:222288:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)c2)c1,KNYVAYFSVZJQGP-UHFFFAOYSA-N
-rxn:4:222302:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)c2)C1,ILANUJATXAXLSA-UHFFFAOYSA-N
-rxn:4:222331:224356,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc2sc(Cl)cc21,VXTKWSUJCSJOPG-UHFFFAOYSA-N
-rxn:4:222332:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1Cl,KKIPXIWFELSZNX-UHFFFAOYSA-N
-rxn:4:222332:225221,CC1CCCN(c2cc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c(F)cn2)C1,BPPUIXDRGHMZOQ-UHFFFAOYSA-N
-rxn:4:222337:222981,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccnc(NC5CCCCC5)c4)cn3)CC2)n1,NLDHZESJQXWACP-UHFFFAOYSA-N
-rxn:4:222363:223957,Cc1cc(CN2CCN(c3c(-c4cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XKGLUJBQNBWDIU-UHFFFAOYSA-N
-rxn:4:222389:185530,COC(=O)CC1COc2ccccc2N1S(=O)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,FDIJEOZKINOIBJ-UHFFFAOYSA-N
-rxn:4:222389:206674,CC(C)c1nc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cn1C1CCOC1,VBWFLPMUMGDNRX-UHFFFAOYSA-N
-rxn:4:222389:209886,Cc1cc(N2CCCCCC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,YTYGJXFHUGVQOI-UHFFFAOYSA-N
-rxn:4:222581:187494,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2)c2ccccc12,BNLXWGXBQUTJIZ-UHFFFAOYSA-N
-rxn:4:222581:213945,CC(C)NS(=O)(=O)c1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)c2ccccc12,MJJZQBZNQZJPIZ-UHFFFAOYSA-N
-rxn:4:222623:189943,CCC(C)c1cc(-c2ccccc2CS(=O)(=O)N2CCOCC2)cc(C2CCNCC2)n1,NIZISQFAOGMNTB-UHFFFAOYSA-N
-rxn:4:222723:214675,CN(C)C(=O)C1CCN(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,YNZAVBLURTXNGI-UHFFFAOYSA-N
-rxn:4:222742:214074,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,AYDUOKHLWZEXMW-UHFFFAOYSA-N
-rxn:4:222780:219619,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3cc(F)cc(C(=O)NCCN(C)C)c3)cc12,CVEPTZAZTIKYLZ-UHFFFAOYSA-N
-rxn:4:222792:187961,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(NC(=O)OC(C)(C)C)ccc3F)cc1)CC(C)(C)CC2=O,NPMJGURRDOVQML-UHFFFAOYSA-N
-rxn:4:222901:219468,CCCS(=O)(=O)NCc1ccc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1,WTNJHTRFOAATLV-UHFFFAOYSA-N
-rxn:4:222940:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)c12)(C(C)C)C(C)C,IDQVOIYABWAHOS-UHFFFAOYSA-N
-rxn:4:222940:199501,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)c1,YIBIPXKNUYAIOR-UHFFFAOYSA-N
-rxn:4:223582:178371,COC(=O)c1ccc2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)n(C(=O)OC(C)(C)C)c2c1,IBKIOQXOIAXNAB-UHFFFAOYSA-N
-rxn:5:176993:225607:223007,CCCC(=O)c1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,IKPCVRAZARTDBK-UHFFFAOYSA-N
-rxn:5:177180:223064:223064,CCOC(=O)c1c(C)cc(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(C2CCNCC2)nc1F,RWKDKOWWVLVOTA-UHFFFAOYSA-N
-rxn:5:177180:225472:225823,CCOC(=O)c1c(C)cc(-c2cccc(N3CCCCC3C)c2)cc1-c1cc(C(C)C)cc(C(F)(F)F)c1,LWBHIYSKEPNOKN-UHFFFAOYSA-N
-rxn:5:177185:223006:226661,CC(C)OC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ccc1-c1cc(N2CCN(C)CC2)cs1,YHNMMJKEURRISN-UHFFFAOYSA-N
-rxn:5:177185:225454:223062,CC(C)OC(=O)c1cc(-c2ccc(C3=CCN(C)CC3)cc2)ccc1-c1cnc(C2CCNCC2)cc1F,KYYPXFGQFGKIPP-UHFFFAOYSA-N
-rxn:5:177185:225507:223062,COC(=O)C1CCc2cc(-c3ccc(-c4cnc(C5CCNCC5)cc4F)c(C(=O)OC(C)C)c3)ccc21,USQVODDXMSRDBB-UHFFFAOYSA-N
-rxn:5:177185:225976:225784,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)nc1,NXJMKFKABIXQLX-UHFFFAOYSA-N
-rxn:5:177189:222989:223065,CCOC(=O)c1c(-c2ccc(N3CCNCC3)cc2C)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,VDMVONFLXRJIRR-UHFFFAOYSA-N
-rxn:5:177190:222990:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,BBDGVRKJUBNYMR-UHFFFAOYSA-N
-rxn:5:177190:223054:225684,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,JEHNLCYRXRPYJK-UHFFFAOYSA-N
-rxn:5:177190:223056:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,IGBIFIQHLHUXMG-UHFFFAOYSA-N
-rxn:5:177190:225462:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cccc(N3CCC(C)CC3)c2)c1,RXSSSUILWCAQCQ-UHFFFAOYSA-N
-rxn:5:177190:225462:225640,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3C)c2)c(-c2cccc(N3CCC(C)CC3)c2)c1,MNMOEXSFXOUBGJ-UHFFFAOYSA-N
-rxn:5:177190:225462:225849,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cccc(N3CCC(C)CC3)c2)c1,VUCWBFNHJGXBFT-UHFFFAOYSA-N
-rxn:5:177190:225466:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCCCC3C)cc2)c1,JRPPOSGFFVEFEL-UHFFFAOYSA-N
-rxn:5:177190:225633:225640,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,RRRCBGPCELTYRF-UHFFFAOYSA-N
-rxn:5:177190:225634:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,CIDPPYGEUOTQFZ-UHFFFAOYSA-N
-rxn:5:177190:225634:225638,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,JVNIFAJRUBCKNM-UHFFFAOYSA-N
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-rxn:5:178467:228318:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnccc3C(=O)OC)c2OC1,WLDHEGJJZHEHAU-UHFFFAOYSA-N
-rxn:5:178467:228321:225636,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,CFNKRZMEPKLUIM-UHFFFAOYSA-N
-rxn:5:178467:228964:223002,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)cc3F)cc(-c3cnc(C(=O)OC)s3)c2OC1,HZRWHCQIVJTXNQ-UHFFFAOYSA-N
-rxn:5:179393:225805:225987,CC(c1ccc(-c2cc(OC3COC3)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2)s1)N1CCOCC1,KHGAPPGALXUEMB-UHFFFAOYSA-N
-rxn:5:179418:225805:225622,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccccc2OC2CCCCO2)s1)N1CCOCC1,GQOTWOXTUZLOBF-UHFFFAOYSA-N
-rxn:5:179629:226583:225620,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(OC2CCOCC2)cc1,FOAKYCFLLFEPDZ-UHFFFAOYSA-N
-rxn:5:180021:225985:227103,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1sccc1C1CCCCC1,YHLFEUGFLQNQJT-UHFFFAOYSA-N
-rxn:5:180022:223002:227390,COc1c(-c2ccnn2C2CCCCC2)ccc(-c2ccc(C3CCNCC3)cc2F)c1C1OCCO1,UJGCRPLXJRCUFO-UHFFFAOYSA-N
-rxn:5:180022:225514:223136,COc1c(-c2ccncc2C2CCCNC2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,PPFJHEJHNQXGDR-UHFFFAOYSA-N
-rxn:5:180022:225880:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2cc(C3CCOCC3)ncc2F)c1C1OCCO1,FTLBALOEFRDHMY-UHFFFAOYSA-N
-rxn:5:180022:226583:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccc(CN3CCOCC3)s2)c1C1OCCO1,BXPPYQRLKCKELT-UHFFFAOYSA-N
-rxn:5:180022:226729:225498,COc1c(-c2cc(C3CCCCC3)ccc2F)ccc(-c2cnc(OC3CCOC3)nc2)c1C1OCCO1,ARTIDUVQLIFYKB-UHFFFAOYSA-N
-rxn:5:180022:227390:225514,COc1c(-c2cccc3c2OCC2(CC2)CO3)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,WBTVZNRJCFUUIJ-UHFFFAOYSA-N
-rxn:5:180422:223134:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1cnccc1C1CCCNC1,HBZFSDAEXTVSCA-UHFFFAOYSA-N
-rxn:5:180602:222982:223138,COC(=O)C1Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2O1,JMNRJASPUUGAAT-QZWVJJBASA-N
-rxn:5:180602:223294:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3csc(N4CCNCC4)n3)c2O1,SVLQNHNIVBDIGD-UHFFFAOYSA-N
-rxn:5:180602:223294:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3csc(N4CCNCC4)n3)c2O1,QNSCMLQCWMKFGY-UHFFFAOYSA-N
-rxn:5:180602:226395:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(N4CCCCC4)c3)c2O1,WOPZUKHCMADROA-UHFFFAOYSA-N
-rxn:5:180662:222987:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,RZHORHGTAQHEFQ-UHFFFAOYSA-N
-rxn:5:180662:223141:223141,COC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cncc(C4CCNCC4)c3)c2OC1,MSYMDTKYDGYCNS-UHFFFAOYSA-N
-rxn:5:180662:225499:227075,COC(=O)C1=Cc2cc(-c3cc(OC)cc(C(C)C)c3)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,QCMPGIKUGLQCQE-UHFFFAOYSA-N
-rxn:5:181904:223001:222986,Cc1cc(-c2c(-c3cc(C4CCCNC4)ccc3F)ccc(C3OCCO3)c2C)cc(C2CCCNC2)n1,GSISTISVGBMMMB-UHFFFAOYSA-N
-rxn:5:181904:225880:222986,Cc1cc(-c2c(-c3cc(C4CCOCC4)ncc3F)ccc(C3OCCO3)c2C)cc(C2CCCNC2)n1,CIHFGMRWUSUUPX-UHFFFAOYSA-N
-rxn:5:181906:225832:226197,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(C2CCCOC2)cc1,IHXNSJNKNBMBAB-UHFFFAOYSA-N
-rxn:5:181907:222959:226686,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,AVGIPJVGCXVTEQ-UHFFFAOYSA-N
-rxn:5:182009:225832:227386,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCC3)c2)cc1C1CCOCC1,CSBFRNNEKBDARK-UHFFFAOYSA-N
-rxn:5:182010:226652:223061,Cc1cc(-c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2C2CCOCC2)n(C2CCCCO2)n1,GQSHLTQWDPLYHR-UHFFFAOYSA-N
-rxn:5:182011:227386:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cnn(C2CCCCC2)c1,QENUMGSPYNSQKZ-UHFFFAOYSA-N
-rxn:5:182013:223058:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1C1CCOCC1,LJUBFZJMPQUANK-UHFFFAOYSA-N
-rxn:5:183189:222959:223064,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cc3c2OC(C)(C)OC3)ccc1C1CCNCC1,WIPUFLPJCLMOAM-UHFFFAOYSA-N
-rxn:5:183189:222996:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3ccc(F)cc3C3CCCNC3)c1)OC(C)(C)OC2,WKTCMZWJAQLSKA-UHFFFAOYSA-N
-rxn:5:183189:225683:225672,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2cc(F)nc(C3CCCCC3)c2)cc2c1OC(C)(C)OC2,YPVDSTSZVKCGGY-UHFFFAOYSA-N
-rxn:5:183189:226330:222956,Cc1ccc(-c2cc3c(c(-c4ccc(C(C)N5CCCC5)s4)c2)OC(C)(C)OC3)c(C2CCCNC2)c1,CGRMKEQDLWVHGY-UHFFFAOYSA-N
-rxn:5:183229:225815:225601,CC1(C)CCSc2c(-c3ccc(C4(C#N)CCC4)cc3F)cc(-c3ccc(C4CC4)cc3C(F)(F)F)cc21,VUACBPSTDUTOKY-UHFFFAOYSA-N
-rxn:5:188448:225598:227768,COC(=O)c1cc(-c2cccn2S(=O)(=O)N(C)C)c([N+](=O)[O-])cc1-c1cccc(CN2CCSCC2)c1,MQQUIWACBNOSMD-UHFFFAOYSA-N
-rxn:5:188930:223135:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1cccnc1C1CCCNC1,STOQBUFSFPPWDW-UHFFFAOYSA-N
-rxn:5:188931:227369:225930,COC(=O)c1cc(-c2cc(F)ccc2OC2CC2)cc(S(N)(=O)=O)c1-c1cc(C)ccc1S(=O)(=O)N(C)C,QASUWFJLFLHOCQ-UHFFFAOYSA-N
-rxn:5:188932:225639:226645,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)c1,LLMHFFWGHRVRBU-UHFFFAOYSA-N
-rxn:5:189207:226580:228388,Cc1cnc(C(F)F)cc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)cc1C(=O)ON1C(=O)CCC1=O,IVBTXCZJQGMYGA-UHFFFAOYSA-N
-rxn:5:189207:227039:227505,CC(C)(C)Oc1ccc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,UIVJTAKKVLFZFA-WUKNDPDISA-N
-rxn:5:189207:228220:223065,CC(C)c1cc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)c(C(=O)ON3C(=O)CCC3=O)c2)c(F)cn1,ZZEUJFFERBVTNL-UHFFFAOYSA-N
-rxn:5:189209:223266:227591,CNC(=O)c1ccc(F)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C(F)F)cc2OC)c1,UORMNVOBVWMHBY-UHFFFAOYSA-N
-rxn:5:189209:225617:228739,COc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(OC4CCCCO4)cc3)c2)c(C)cn1,ZTRNJTZPDZVXMG-UHFFFAOYSA-N
-rxn:5:189209:225799:228530,O=C(ON1C(=O)CCC1=O)c1cc(-c2cncc(OC3CCOCC3)c2)cc(-c2ccc3c(c2)OCC3)c1,RILRJYCETGWKIV-UHFFFAOYSA-N
-rxn:5:189210:222960:227976,Cc1cc(-c2cccc(-c3ccc([Si](C)(C)C)cc3)c2C(=O)ON2C(=O)CCC2=O)cc(C2CCNCC2)c1,ZSGQFAPODJYMQH-UHFFFAOYSA-N
-rxn:5:189210:228964:223064,COC(=O)c1ncc(-c2cccc(-c3ccc(C4CCNCC4)nc3F)c2C(=O)ON2C(=O)CCC2=O)s1,NKFWDRGEPLPWLL-UHFFFAOYSA-N
-rxn:5:189321:225805:226679,CC(c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)c(C(=O)OC(C)(C)C)n2)s1)N1CCOCC1,SPIAWKKGHZNHBU-UHFFFAOYSA-N
-rxn:5:189449:226603:226771,COC(=O)c1cc(F)c(C)c(-c2ccc(-c3cc(F)c(F)cc3C(=O)OC)cc2C(=O)N2CC(OC)C2)c1,BPRFECZTLKSSTL-UHFFFAOYSA-N
-rxn:5:189449:227311:225638,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(N4CCC(C)CC4)nc3)cc2C(=O)N2CC(OC)C2)cn1,QEOOYZQGJFWGBY-UHFFFAOYSA-N
-rxn:5:189449:227342:225507,COC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2C(=O)N2CC(OC)C2)cc1C,VNPYWGBFCXOZEH-UHFFFAOYSA-N
-rxn:5:189512:225849:225633,O=[N+]([O-])c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1S(=O)(=O)c1cccc(-c2ccc(N3CCCCCC3)nc2)c1,PUQDDXXHIJJDDQ-UHFFFAOYSA-N
-rxn:5:189513:225633:225849,O=[N+]([O-])c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1S(=O)(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1,KSJYAAKNUPRDSU-UHFFFAOYSA-N
-rxn:5:189513:225849:225633,O=[N+]([O-])c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1S(=O)(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1,YBSVQSIQIZXSAH-UHFFFAOYSA-N
-rxn:5:189676:225985:226946,CN1CCc2cc(-c3ccc(CC(=O)N4CCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)ccc2C1,GZBBVPAKAYFHSF-UHFFFAOYSA-N
-rxn:5:189718:223307:225671,O=[N+]([O-])c1cc(-c2cc(C3CCCCC3)ncc2F)c(-c2ccc3c(c2)CCNC3)cc1OC1CCOCC1,DTDYXTYQZWXOCU-UHFFFAOYSA-N
-rxn:5:189910:227379:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cccnc2N2CCCC2)cc1CCN1CCOCC1,HOQPMTQZSMKJQQ-UHFFFAOYSA-N
-rxn:5:189952:226395:223141,COc1c(-c2cncc(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cncc(N2CCCCC2)c1,QNFDRLGTNNROCM-UHFFFAOYSA-N
-rxn:5:190127:225591:227544,COC(=O)c1ccc(F)cc1-c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1C(=O)N1CCC(OC)CC1,CNGJZJXVENJZLW-UHFFFAOYSA-N
-rxn:5:190128:226734:225872,COC1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N(C)C)c3)c(-c3cc(F)c(F)c(N4CCCC4)c3)c2)CC1,XETNLRJVTODMHF-UHFFFAOYSA-N
-rxn:5:190131:226748:223008,COc1cc(C(F)(F)F)ccc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C3CCNCC3)ccc2F)c1OC,GAJFCVSNUZHNLN-UHFFFAOYSA-N
-rxn:5:190194:226898:228334,CCOc1cnc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cn(S(=O)(=O)N(C)C)nc2C)c1,FVZFEBKPCNOEQQ-UHFFFAOYSA-N
-rxn:5:190195:222417:223061,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,GGDGRJDGDQUHCQ-UHFFFAOYSA-N
-rxn:5:190197:226583:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(CN2CCOCC2)s1)C1CCOCC1,RWVRXQOBTQYAOO-UHFFFAOYSA-N
-rxn:5:190199:222417:223065,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1CN(C)C1CCOCC1,NBJQWGILFMASOH-UHFFFAOYSA-N
-rxn:5:190199:222417:226571,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnn(CC3CCOCC3)c2)cc1CN(C)C1CCOCC1,YMNMTAVCDPGVSV-UHFFFAOYSA-N
-rxn:5:190199:225978:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(N2CCOCC2)nc1F)C1CCOCC1,MXYQNWGCFFPYMM-UHFFFAOYSA-N
-rxn:5:190199:226583:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCOCC3)s2)c(CN(C)C2CCOCC2)c1,XGGFAQWXAIXHJO-UHFFFAOYSA-N
-rxn:5:190200:226061:223186,CC(C)c1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3cnn(C4CCCCO4)c3)c2)cc(C2CC2)c1,VDDRGFMTYOIAQY-UHFFFAOYSA-N
-rxn:5:190231:223141:227968,COc1c(-c2cncc(C3CCNCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnccc1C1CCC1,YAQYXWQTJVWVNO-UHFFFAOYSA-N
-rxn:5:190231:225620:226827,COc1c(-c2ccc(OC3CCOCC3)cc2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C(F)(F)F)c(C)c1F,OKVSRQIFBNFQOX-UHFFFAOYSA-N
-rxn:5:190231:226645:222417,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(=O)[nH]c1C(C)C,NKCUNQZTGPDISW-UHFFFAOYSA-N
-rxn:5:190231:228504:226172,COc1c(-c2cc(N3CCCC3)ccc2C)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc2c1CCC2,ORIKFRNQWDGDEX-UHFFFAOYSA-N
-rxn:5:190299:227304:227044,COc1ccc(-c2cnc(OC(C)C)cc2C)cc1C=C1SC(=O)N(c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)C1=O,VKZIQWJOXSWBRQ-UHFFFAOYSA-N
-rxn:5:190299:227592:225435,COc1ccc(-c2cc(F)cc(OC)c2OC)cc1C=C1SC(=O)N(c2ccc(-c3ccccc3CN3CCCCC3)cc2)C1=O,ZVRFUWXRWDCEOK-UHFFFAOYSA-N
-rxn:5:190337:225657:228443,COc1c(-c2ccc(N3CCOCC3)c(C)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc(F)c(SC)c1F,GVHWWTOZYRYLBJ-UHFFFAOYSA-N
-rxn:5:190337:228119:225832,COc1c(-c2ccc(SC(C)C)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(C)nn(C2CCCCO2)c1C,MIRKFDIBJONXNS-UHFFFAOYSA-N
-rxn:5:190418:227668:223064,COc1c(F)cc(-c2ccc(CC3CC(=O)N(c4ccc(-c5ccc(C6CCNCC6)nc5F)cc4C)C3=O)cc2)c(C)c1F,GGDZJLCVGFBYDM-UHFFFAOYSA-N
-rxn:5:190484:223423:226581,CN(C)C(=O)c1cccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(C=NO)c4)c3)CCS2(=O)=O)c1F,NFSAZTNHCAPQKE-UHFFFAOYSA-N
-rxn:5:190484:225880:228490,O=C(c1cccc(-c2cc(C3CCOCC3)ncc2F)c1)N1CCC(c2ccccc2-c2cccc(S(=O)(=O)F)c2)S(=O)(=O)CC1,BKVIBZCPSFEGTK-UHFFFAOYSA-N
-rxn:5:190484:226164:227080,O=C(c1cccc(-c2ccc(N3CCCCC3)cc2)c1)N1CCC(c2ccccc2-c2cccc(N3CCCC3)c2)S(=O)(=O)CC1,KVPNPVSGNKYQBF-UHFFFAOYSA-N
-rxn:5:190484:227438:227507,O=C(c1cccc(-c2ccnc(C3CCOC3)c2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,QSTIWRDIBYBSCR-UHFFFAOYSA-N
-rxn:5:190484:227507:223240,O=C(c1cccc(-c2cccc(C=C[N+](=O)[O-])c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)nc2)S(=O)(=O)CC1,SPCBGMKBDKMDGI-UHFFFAOYSA-N
-rxn:5:190484:228965:223134,O=C(c1cccc(-c2ccc([N+](=O)[O-])nc2)c1)N1CCC(c2ccccc2-c2cnccc2C2CCCNC2)S(=O)(=O)CC1,KTJYSDXOLDGZNC-UHFFFAOYSA-N
-rxn:5:190740:223062:225833,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccnc(N2CCCCC2)c1F,DQACYQPCCNCSLO-UHFFFAOYSA-N
-rxn:5:190740:225976:223064,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(C2CCNCC2)nc1F,FZQYBEFVBJTQPF-UHFFFAOYSA-N
-rxn:5:190740:225982:226661,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cc(N2CCN(C)CC2)cs1,NFZKKNHIAGOALL-UHFFFAOYSA-N
-rxn:5:190741:223061:225833,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,PAKFAKWAPRBPGJ-UHFFFAOYSA-N
-rxn:5:190741:223064:225784,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,RXDGHFGXPQTDPW-UHFFFAOYSA-N
-rxn:5:190741:225833:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,PTAUCDCEJVZBRJ-UHFFFAOYSA-N
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-rxn:5:196188:225832:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCC2)c(-c2c(C)nn(C3CCCCO3)c2C)c1,XXDQBHRMFMUVKX-UHFFFAOYSA-N
-rxn:5:196408:223146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cccc(C3CNCCO3)c2)c1,JPXGYNNJICXEPE-UHFFFAOYSA-N
-rxn:5:196408:225832:226447,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCOCC3)c2)ccc1C1=NOCCO1,NTJRAOXYTXZIPM-UHFFFAOYSA-N
-rxn:5:196619:225674:225986,O=C1CCCN1c1ccc(-c2cnc(C3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,HFLQGUDSUWUKBG-UHFFFAOYSA-N
-rxn:5:196620:225925:225640,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCCCC3C)c2)ccc1N1CCCC1=O,FIHWBUFMUBQYJC-UHFFFAOYSA-N
-rxn:5:196794:225655:226645,CC1CCN(c2cncc(-c3ccc(-c4ccnc(N5CCOCC5)c4)c(N4CCOCC4=O)c3)c2)CC1,OWRZTMGHGQHPLB-UHFFFAOYSA-N
-rxn:5:196794:226794:225849,O=C1COCCN1c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cnc(N2CCCCC2)cc1F,BUXVZUJAJHWDIZ-UHFFFAOYSA-N
-rxn:5:196858:222988:225880,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cc(C3CCOCC3)ncc2F)cc(C2CCNCC2)n1,AELONBFEYBGNCA-UHFFFAOYSA-N
-rxn:5:196859:225684:222957,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCOCC3)nc2C)cc(C2CCCNC2)c1,TWYZACRJJBKCHG-UHFFFAOYSA-N
-rxn:5:196873:225982:225834,Fc1cc(N2CCOCC2)ncc1-c1ccc(N2CCOCC2)cc1-c1cc(N2CCCCC2)ncc1F,VBJGUBFHSGQIJO-UHFFFAOYSA-N
-rxn:5:196917:225633:223173,CC1(C)COC(c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2ccc(N3CCCCCC3)nc2)=N1,AWOXZVNNXJQIOQ-UHFFFAOYSA-N
-rxn:5:196917:225633:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(N3CCCCCC3)nc2)=N1,YODGAQBSIUNGKM-UHFFFAOYSA-N
-rxn:5:196917:225833:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2ccnc(N3CCCCC3)c2F)=N1,HIIYNIFTTWBSBA-UHFFFAOYSA-N
-rxn:5:196917:225834:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,JJMYXMUQIPDXCH-UHFFFAOYSA-N
-rxn:5:196917:225985:225834,CC1(C)COC(c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,DXZYPMIPMKYVIZ-UHFFFAOYSA-N
-rxn:5:196917:225985:227403,CC1(C)COC(c2cc(-c3ccc(N4CCCCC4)s3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,RSLKMGSNNGGNMF-UHFFFAOYSA-N
-rxn:5:196917:225986:225655,CC1CCN(c2cncc(-c3ccc(-c4ccccc4N4CCCS4(=O)=O)c(C4=NC(C)(C)CO4)c3)c2)CC1,FUIWIGCDQAGHNK-UHFFFAOYSA-N
-rxn:5:196917:226181:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(C3=CCCCC3)nc2)=N1,BFRZAQQGCBDPOT-UHFFFAOYSA-N
-rxn:5:196917:226366:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2ccnc(N3CCCCC3)c2)=N1,RQMCGYMPNBEWOX-UHFFFAOYSA-N
-rxn:5:196917:226395:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2cncc(N3CCCCC3)c2)=N1,VYZRBGUBVLGDDP-UHFFFAOYSA-N
-rxn:5:196917:226412:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cc(F)cc(N3CCCC3)c2)=N1,BYCQMGYDUXWCNH-UHFFFAOYSA-N
-rxn:5:196917:226658:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2ccc(N3CCCC3)nc2F)=N1,DQCDSPPJPXJIQA-UHFFFAOYSA-N
-rxn:5:196917:226794:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cnc(N3CCSCC3)nc2)=N1,ACTJNWFMOIFWNN-UHFFFAOYSA-N
-rxn:5:196919:223065:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,OXFKDIMIHQGITJ-UHFFFAOYSA-N
-rxn:5:196919:225636:225986,CC1CCN(c2cc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)ccn2)CC1,LPETZASSVQUYOH-UHFFFAOYSA-N
-rxn:5:196919:225655:226175,Cc1cc(N2CCCC2)ccc1-c1cc(-c2cncc(N3CCC(C)CC3)c2)ccc1C1=NC(C)(C)CO1,DOTIEFLAZSIXBO-UHFFFAOYSA-N
-rxn:5:196919:225834:225985,CC1(C)COC(c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,QTTHDIZCUKWLHJ-UHFFFAOYSA-N
-rxn:5:196919:225834:225987,CC1(C)COC(c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,RGBHRELDUCYYHH-UHFFFAOYSA-N
-rxn:5:196919:225985:225636,CC1CCN(c2cc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3C3=NC(C)(C)CO3)ccn2)CC1,OPPZKTIVRHICFL-UHFFFAOYSA-N
-rxn:5:196919:225985:225652,CC1CCCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3C3=NC(C)(C)CO3)c2)C1,MBACPWOMYJGLJX-UHFFFAOYSA-N
-rxn:5:196919:225985:226181,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(C3=CCCCC3)nc2)=N1,MFGGWYABSGAGJQ-UHFFFAOYSA-N
-rxn:5:196919:225985:226794,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cnc(N3CCSCC3)nc2)=N1,SPYNKWDPJIOQBS-UHFFFAOYSA-N
-rxn:5:196919:225986:225833,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccnc(N3CCCCC3)c2F)=N1,FLNNXQHMZAKUIZ-UHFFFAOYSA-N
-rxn:5:196919:225986:226366,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccnc(N3CCCCC3)c2)=N1,AVQQOXAAPZSFKT-UHFFFAOYSA-N
-rxn:5:196919:225986:226395,CC1(C)COC(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cncc(N3CCCCC3)c2)=N1,AQQXKUTZHIBTPM-UHFFFAOYSA-N
-rxn:5:196919:225987:225833,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2ccnc(N3CCCCC3)c2F)=N1,APZWTXYWADSVBM-UHFFFAOYSA-N
-rxn:5:196919:225987:226395,CC1(C)COC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2-c2cncc(N3CCCCC3)c2)=N1,AJNDLDSELPTRSB-UHFFFAOYSA-N
-rxn:5:196919:226183:225985,CC1(C)COC(c2ccc(-c3cnccc3C3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,XWRRMZAMHNHHHN-UHFFFAOYSA-N
-rxn:5:196919:226364:225986,CC1(C)COC(c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,NNQIYZQUCVMTSI-UHFFFAOYSA-N
-rxn:5:196919:226395:225987,CC1(C)COC(c2ccc(-c3cncc(N4CCCCC4)c3)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,LROAJNOSLLQPIM-UHFFFAOYSA-N
-rxn:5:196919:226679:225987,CC1(C)COC(c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,BIPGYRKXKYMODZ-UHFFFAOYSA-N
-rxn:5:196919:227403:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCCCC4)s3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,RGFRBZHRUCFAFY-UHFFFAOYSA-N
-rxn:5:196923:223065:225986,O=C1CCCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,KYWMAONQZPREFE-UHFFFAOYSA-N
-rxn:5:196923:225986:225849,O=C1CCCCN1c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(-c2cnc(N3CCCCC3)cc2F)c1,LEXTYISCPOQYDX-UHFFFAOYSA-N
-rxn:5:196969:223062:222988,Cc1cc(-c2cc(C3CCCCC3)ncc2-c2cnc(C3CCNCC3)cc2F)cc(C2CCNCC2)n1,BOCQKDGVMMTZJN-UHFFFAOYSA-N
-rxn:5:196969:226686:225656,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1cncc(N2CCCCC2C)c1,PXAHWDPDYVTKHA-UHFFFAOYSA-N
-rxn:5:196970:226654:222988,Cc1cc(-c2nccc(C3CCCCC3)c2-c2csc(N3CCC(C)CC3)n2)cc(C2CCNCC2)n1,KXONRDCISJUJKV-UHFFFAOYSA-N
-rxn:5:196971:225881:222988,Cc1cc(-c2cc(-c3ccc(C4CCOCC4)nc3F)ncc2C2CCCCC2)cc(C2CCNCC2)n1,YKVUCCUTTCBLQL-UHFFFAOYSA-N
-rxn:5:196977:225455:225985,Cc1ccc(N2CCCCC2)cc1-c1ccc(N2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,JBLCLCZSJYDXHX-UHFFFAOYSA-N
-rxn:5:196977:225636:225986,CC1CCN(c2cc(-c3ccc(N4CCCCC4)cc3-c3ccccc3N3CCCS3(=O)=O)ccn2)CC1,VBNIAFLMNWTXDE-UHFFFAOYSA-N
-rxn:5:196977:225639:225987,CC1CCN(c2ncccc2-c2ccc(N3CCCCC3)cc2-c2ccc(N3CCCS3(=O)=O)cc2)CC1,DRXRPNNKCYYFAS-UHFFFAOYSA-N
-rxn:5:196977:225655:225987,CC1CCN(c2cncc(-c3ccc(N4CCCCC4)cc3-c3ccc(N4CCCS4(=O)=O)cc3)c2)CC1,ATTHDAQSYQRXIH-UHFFFAOYSA-N
-rxn:5:196977:225985:225462,CC1CCN(c2cccc(-c3cc(N4CCCCC4)ccc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,UIQQUPAHLTWDCS-UHFFFAOYSA-N
-rxn:5:196977:225986:225655,CC1CCN(c2cncc(-c3cc(N4CCCCC4)ccc3-c3ccccc3N3CCCS3(=O)=O)c2)CC1,IUFLFFDILIIUMV-UHFFFAOYSA-N
-rxn:5:196977:225987:225655,CC1CCN(c2cncc(-c3cc(N4CCCCC4)ccc3-c3ccc(N4CCCS4(=O)=O)cc3)c2)CC1,IJVAFBUXBOALNX-UHFFFAOYSA-N
-rxn:5:196978:225636:225985,CC1CCN(c2cc(-c3ccc(N4CCCCC4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)ccn2)CC1,CCSAILGNBXUPGA-UHFFFAOYSA-N
-rxn:5:196978:225636:225986,CC1CCN(c2cc(-c3ccc(N4CCCCC4)c(-c4ccccc4N4CCCS4(=O)=O)c3)ccn2)CC1,DYXSCWLBDGWKOM-UHFFFAOYSA-N
-rxn:5:196978:225636:225987,CC1CCN(c2cc(-c3ccc(N4CCCCC4)c(-c4ccc(N5CCCS5(=O)=O)cc4)c3)ccn2)CC1,BWYFLXOLYNWVTG-UHFFFAOYSA-N
-rxn:5:196978:225655:225986,CC1CCN(c2cncc(-c3ccc(N4CCCCC4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2)CC1,FEURUKTXESVEDX-UHFFFAOYSA-N
-rxn:5:196978:225985:225462,CC1CCN(c2cccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3N3CCCCC3)c2)CC1,ZCKKISBQKZNUEM-UHFFFAOYSA-N
-rxn:5:196978:225985:225634,Cc1cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2N2CCCCC2)cnc1N1CCCCC1,GKQCGKDDBBWABG-UHFFFAOYSA-N
-rxn:5:196978:225985:225638,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3N3CCCCC3)cn2)CC1,ZMFGKHJYPUSWQE-UHFFFAOYSA-N
-rxn:5:196978:225985:225655,CC1CCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ccc3N3CCCCC3)c2)CC1,ZXBSYRWBVPTANT-UHFFFAOYSA-N
-rxn:5:196978:225986:225638,CC1CCN(c2ccc(-c3cc(-c4ccccc4N4CCCS4(=O)=O)ccc3N3CCCCC3)cn2)CC1,FYFUYVHRBMLSRN-UHFFFAOYSA-N
-rxn:5:196978:225987:225639,CC1CCN(c2ncccc2-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2N2CCCCC2)CC1,KGEIXEBVHCSFLU-UHFFFAOYSA-N
-rxn:5:196978:225987:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(N5CCCS5(=O)=O)cc4)ccc3N3CCCCC3)c2)CC1,LICDJZNQGDJXRF-UHFFFAOYSA-N
-rxn:5:196978:226429:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(-c2ccc(N3CCCC(C)C3)s2)ccc1N1CCCCC1,MFDVQLFQRHQSPA-UHFFFAOYSA-N
-rxn:5:196979:225636:225987,CC1CCN(c2cc(-c3cc(-c4ccc(N5CCCS5(=O)=O)cc4)cc(N4CCCCC4)c3)ccn2)CC1,QFPRFXVPRGIOGM-UHFFFAOYSA-N
-rxn:5:196979:225638:225987,CC1CCN(c2ccc(-c3cc(-c4ccc(N5CCCS5(=O)=O)cc4)cc(N4CCCCC4)c3)cn2)CC1,BCSTWOYJJDILBE-UHFFFAOYSA-N
-rxn:5:196979:225639:225987,CC1CCN(c2ncccc2-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)cc(N3CCCCC3)c2)CC1,IWYOBTHQSPEKRO-UHFFFAOYSA-N
-rxn:5:196979:225655:225987,CC1CCN(c2cncc(-c3cc(-c4ccc(N5CCCS5(=O)=O)cc4)cc(N4CCCCC4)c3)c2)CC1,JBWDFGIJHLYTSF-UHFFFAOYSA-N
-rxn:5:196979:225871:222957,Cc1cc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)cc(N3CCCCC3)c2)cc(C2CCCNC2)c1,HHGZRUAJKVMGBN-UHFFFAOYSA-N
-rxn:5:196979:225987:225638,CC1CCN(c2ccc(-c3cc(-c4ccc(N5CCCS5(=O)=O)cc4)cc(N4CCCCC4)c3)cn2)CC1,BCSTWOYJJDILBE-UHFFFAOYSA-N
-rxn:5:197876:223113:227912,COC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,LISRAEWWLYVIGJ-UHFFFAOYSA-N
-rxn:5:197876:223113:227921,COC(C)c1cccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SWKGYEAAYQBRID-UHFFFAOYSA-N
-rxn:5:197876:228219:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cnc(C(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,YRYKBPFGWBZABO-UHFFFAOYSA-N
-rxn:5:222981:181908:226686,Cc1cc(-c2ccnc(NC3CCCCC3)c2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,OGGCARSMTGWTKO-UHFFFAOYSA-N
-rxn:5:223008:196970:222988,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cc(C3CCNCC3)ccc2F)cc(C2CCNCC2)n1,NBPFRRDYTCIOAQ-UHFFFAOYSA-N
-rxn:5:225498:178295:228697,COCc1cc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,AOIRHSYZWXEQBD-UHFFFAOYSA-N
-rxn:5:225636:181908:222959,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(N3CCC(C)CC3)c2)ccc1C1CCNCC1,KDFBPRWVFOXSQJ-UHFFFAOYSA-N
-rxn:5:225638:196977:225985,CC1CCN(c2ccc(-c3ccc(N4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)cn2)CC1,NRDXYXVPFWQQRZ-UHFFFAOYSA-N
-rxn:5:225638:196978:225985,CC1CCN(c2ccc(-c3ccc(N4CCCCC4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)cn2)CC1,ZYUBOLSSTGSNKK-UHFFFAOYSA-N
-rxn:5:225640:181908:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(N3CCCCC3C)c2)c(C2CCCNC2)c1,JNDBBOVQTXAHMX-UHFFFAOYSA-N
-rxn:5:225655:196977:225985,CC1CCN(c2cncc(-c3ccc(N4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,MFDGKPGFYSNKMV-UHFFFAOYSA-N
-rxn:5:225671:196970:226654,CC1CCN(c2nc(-c3nccc(C4CCCCC4)c3-c3cc(C4CCCCC4)ncc3F)cs2)CC1,DUVLVYITLBUUBM-UHFFFAOYSA-N
-rxn:5:225832:182012:226663,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCSCC3)nc2)c(C2CCCOC2)c1,FERANRMMVWHHLM-UHFFFAOYSA-N
-rxn:5:225832:196681:223064,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1N1CCCC1,XSKJFJPLMXOGMW-UHFFFAOYSA-N
-rxn:5:225832:196858:226183,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cnccc1C1CCCCC1,CFNCSYYDHBYKBX-UHFFFAOYSA-N
-rxn:5:225832:196969:226643,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccc(N2CCOCC2)nc1,BIIVISXJOPMWBS-UHFFFAOYSA-N
-rxn:5:225832:196977:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1cccnc1C1CCCNC1,KRLSGKAPJMJZJH-UHFFFAOYSA-N
-rxn:5:225849:189513:225633,O=[N+]([O-])c1ccc(-c2cnc(N3CCCCC3)cc2F)cc1S(=O)(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1,YBSVQSIQIZXSAH-UHFFFAOYSA-N
-rxn:5:225849:196923:223173,O=C1CCCCN1c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,DHVLMRZCHIKOCK-UHFFFAOYSA-N
-rxn:5:225871:189322:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ncc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1C(=O)OC(C)(C)C,CKSKKGPCWRAEAL-UHFFFAOYSA-N
-rxn:5:225881:180022:226183,COc1c(-c2cnccc2C2CCCCC2)ccc(-c2ccc(C3CCOCC3)nc2F)c1C1OCCO1,ISAFFRTWLVXITE-UHFFFAOYSA-N
-rxn:5:225886:178295:226067,COC(=O)C1(c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,GKSLRNJUNSOROI-UHFFFAOYSA-N
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-rxn:5:227998:193506:226794,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3C3CC3)cc2-c2cnc(N3CCSCC3)nc2)CC1,RRXRESJWGNMLQK-UHFFFAOYSA-N
-rxn:5:228119:190484:227409,CC(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cn1,LQWFFSQVIMTDFD-UHFFFAOYSA-N
-rxn:5:228156:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc(OC)ccc2OC)CCC(=O)CC1,REWAVSKHFYUNGN-UHFFFAOYSA-N
-rxn:5:228177:178295:227512,COCc1ccc(F)cc1-c1ccc(-c2cc(C(=O)OC)ncc2C)cc1C1(C(=O)OC)CCC(=O)CC1,TXGSQIGXQKVMIX-UHFFFAOYSA-N
-rxn:5:228178:178295:226924,COCc1ccc(F)c(-c2ccc(-c3cc(C)cc(C4CC4)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DTMDLFKQJWQMRM-UHFFFAOYSA-N
-rxn:5:228178:178295:227408,COCc1ccc(F)c(-c2ccc(-c3cc(C4CCC4)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RBNWEZQIOQNSSS-UHFFFAOYSA-N
-rxn:5:228179:178295:227544,COCc1cc(F)cc(-c2ccc(-c3cc(F)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ONNVZQLTCOGYHE-UHFFFAOYSA-N
-rxn:5:228253:178295:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2ccc(P(C)(C)=O)cc2)CCC(=O)CC1,RWINPHXFTTUHMS-UHFFFAOYSA-N
-rxn:5:228268:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C)c(F)c2SC)c(C2(C(=O)OC)CCC(=O)CC2)c1,DUGWJBGHIVBCNO-UHFFFAOYSA-N
-rxn:5:228279:178295:227512,CCc1cc(F)c(-c2ccc(-c3cc(C(=O)OC)ncc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,VFUQYKKCCXWPQO-UHFFFAOYSA-N
-rxn:5:228324:178295:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2cc(OC)ncc2OC)CCC(=O)CC1,KJXUTRWEDUQXMU-UHFFFAOYSA-N
-rxn:5:228415:178295:227313,CCC(C)c1cc(-c2ccc(-c3cc(F)ccc3C(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,OIXGWHOBZRZLCV-UHFFFAOYSA-N
-rxn:5:228428:178295:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cc(OC)cc(F)c2F)CCC(=O)CC1,VVIVJOFUEKGYRY-UHFFFAOYSA-N
-rxn:5:228503:178295:223189,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2-c2ccc3c(c2)CCC3)CCC(=O)CC1,WXBGXIOYMOXYBC-UHFFFAOYSA-N
-rxn:5:228520:178295:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2cc(C)c(C)cc2C)CCC(=O)CC1,KFFCXZLCPBQUIN-UHFFFAOYSA-N
-rxn:5:228564:178295:227079,CCC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,VHYYYEYHOMYPDW-UHFFFAOYSA-N
-rxn:5:228567:178295:227591,CCC(C)c1sccc1-c1ccc(-c2ccc(C(F)F)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,PDKYSHINLYPZMJ-UHFFFAOYSA-N
-rxn:5:228605:178295:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2cccc(C)c2OC)CCC(=O)CC1,OYOXNUHGLQTVLZ-UHFFFAOYSA-N
-rxn:5:228623:178295:227312,CCC(C)c1ccc(-c2ccc(-c3sccc3C3CCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,FGBMITWJMSCWOR-UHFFFAOYSA-N
-rxn:4:173508:222948,COc1cc(-c2cnc(N3CCC(O)CC3)nc2Cl)ccc1OCCOC1CCCCO1,QHRFPHULDYAMNP-UHFFFAOYSA-N
-rxn:4:173548:223997,Cc1cc(-c2ccc(OCc3ccccc3)cc2C(=O)OC(C)(C)C)cc(C)c1S(=O)(=O)N1CCOCC1,WPGWMXSDLDDODM-UHFFFAOYSA-N
-rxn:4:173636:225452,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3ccc(OC4C=CCCC4)cc3)ccc1OC)C2=O,GZQOXACAFAPEPB-UHFFFAOYSA-N
-rxn:4:173654:222971,CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(NC(=O)C(C)(C)C)cc3)c1)C2=O,SYPAQLBLIVNIBS-UHFFFAOYSA-N
-rxn:4:173665:224059,COC(=O)Cc1c(C)c2ccc(OCc3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OC)cc3F)cc2oc1=O,OLPQKBIWVODNPP-UHFFFAOYSA-N
-rxn:4:173673:222404,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc1OC)C2=O,YRQIIYQSNQGZFZ-UHFFFAOYSA-N
-rxn:4:173681:224318,COC(=O)Cc1c(C)c2ccc(OCc3ccc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)cc3)c(C)c2oc1=O,WLUOBRFWPDCTOM-UHFFFAOYSA-N
-rxn:4:173810:223075,O=S(=O)(Nc1ccc(-c2ccc(C(F)(F)F)c(OC(C(F)(F)F)C(F)(F)F)c2)cc1)C1CC1,LDDKDJASICRNQR-UHFFFAOYSA-N
-rxn:4:173926:224244,C#Cc1cc(F)c(OC(C)C(=O)OC)c(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)c1,LANPSNFLSHRSHV-UHFFFAOYSA-N
-rxn:4:173993:223640,CCOC(=O)c1c(-c2cc(F)cc3c2C(=O)C2C(C)(C)C2(OCC)C3=O)ccc(OCC)c1Cl,BCNQPOXIULGRSI-UHFFFAOYSA-N
-rxn:4:174104:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC4(C(=O)OC)CC4)c(OC)c3)c(F)c2)CC1,JDQJPUYQBSGLOT-UHFFFAOYSA-N
-rxn:4:174217:223559,COC(=O)c1ccc(OCc2ccccc2)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,UJFMWHHRGAYXRX-UHFFFAOYSA-N
-rxn:4:174302:224128,CCOC(=O)C(C)(C)c1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1OC,OSDOVAZFVFNTJP-UHFFFAOYSA-N
-rxn:4:174315:223982,CCOc1cc(C(=O)OC(C)(C)C)ccc1-c1ccc(N2CCN(S(=O)(=O)CC)CC2)cc1,VZGYDRSCSDCWFI-UHFFFAOYSA-N
-rxn:4:174406:224664,COC(=O)C1(c2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2)CC(OC)(OC)C1,HFBUELORZBPIEX-UHFFFAOYSA-N
-rxn:4:174428:224306,CC(C)(C)OC(=O)C(C)(C)Sc1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1,BNLZMQBUYVJMEI-UHFFFAOYSA-N
-rxn:4:174444:225685,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2cnc(Cl)c(C3CCCCC3)c2)c1,ONLUOXGVYTWGIP-UHFFFAOYSA-N
-rxn:4:174522:222467,CC(C)[Si](C#Cc1ccc(-c2ccc(NC(=O)OC(C)(C)C)c3ccccc23)cc1)(C(C)C)C(C)C,OHQJAIRZPYJFTC-UHFFFAOYSA-N
-rxn:4:174544:223740,COC(=O)C12CC(COc3ccc(Cl)c(-c4cc(O[Si](C)(C)C(C)(C)C)cc5ccccc45)c3)(C1)C2,NORKVTUKJLEWAN-UHFFFAOYSA-N
-rxn:4:174604:224853,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(C3CCC(C)(C)CC3)cc1)C2=O,PNYPLAIAHPDWHK-UHFFFAOYSA-N
-rxn:4:174624:222837,COc1ccc(-c2cccc(CC(=O)NC(C)(C)C)c2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,PGZNKWFOPAVARL-UHFFFAOYSA-N
-rxn:4:174641:224761,COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2-c2cccc(S(=O)(=O)N4CCCCC4)c2)C3=O)cc1,DILLDLWIHPQSCG-UHFFFAOYSA-N
-rxn:4:174657:222626,COc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,FNHYWTSHWIGEPD-UHFFFAOYSA-N
-rxn:4:174673:222658,O=C(NC1CCCCC1)c1cc(F)cc(-c2cc(OC(F)(F)F)cc(SC(F)(F)F)c2)c1,GREZRNZLZWNIIJ-UHFFFAOYSA-N
-rxn:4:175061:223712,CCOc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(F)c1C(=O)OC,DSQLRUFZBWIHDE-UHFFFAOYSA-N
-rxn:4:175089:222722,CS(=O)(=O)OCc1ccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c(C(F)(F)F)c1,JIMIIEQJRWBXSY-UHFFFAOYSA-N
-rxn:4:175371:222466,Fc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(F)cc1OCCC1OCCO1,SQHAQZATZLSLTD-UHFFFAOYSA-N
-rxn:4:175741:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3OC(F)(F)C(F)(F)[Si](C)(C)C)cc2)CC1,OMUXNMGBCKEJCJ-UHFFFAOYSA-N
-rxn:4:175784:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)ccc1S(=O)(=O)c1cccc(Cl)c1,OOUOEMRPPLGINT-UHFFFAOYSA-N
-rxn:4:175897:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC4CCOCC4)cc(C(=O)OC)c3)c(F)c2)CC1,YZXUVWJEOUZBDH-MXVIHJGJSA-N
-rxn:4:176147:224411,CN(C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)Oc3ccc(C4SCCCS4)cc3)cc2)c(C(F)(F)F)c1,VCPXPYQVKODXTE-UHFFFAOYSA-N
-rxn:4:176155:222619,Cc1cc(-c2ccc(CNC(=O)C3CCCCC3)cc2)ccc1CO[Si](C)(C)C(C)(C)C,GHIQSSVHTZYJIU-UHFFFAOYSA-N
-rxn:4:176182:223929,CC(C)c1cc(C(C)C)c(-c2ccccc2-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(C(C)C)c1,PTFVPGLLOZQIKP-UHFFFAOYSA-N
-rxn:4:176919:223588,Cc1cc(-c2ccc(F)c(F)c2COS(C)(=O)=O)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NLDMWVUJKRLQCA-UHFFFAOYSA-N
-rxn:4:176935:223998,Cc1cccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c1OS(=O)(=O)C(F)(F)F,IBBNFMRLNGBQCS-UHFFFAOYSA-N
-rxn:4:177173:223559,CCc1ccc(C(=O)OC)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,DLDDFMXIGAZDAL-UHFFFAOYSA-N
-rxn:4:177320:223521,COc1cc(C(C)=O)c(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,SRTAMIPUYKDRBY-UHFFFAOYSA-N
-rxn:4:177839:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C4(C(=O)OC)CCC4)c3)c(F)c2)CC1,XCSLIDLBUSQPCR-HZCBDIJESA-N
-rxn:4:177990:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4OCCO4)c(OC)cc3OC)cc2)CC1,AFWDNRJXYDCMDZ-MEMLXQNLSA-N
-rxn:4:178021:223813,COc1cc(C2OCCO2)c(OC)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,BQSLFQGNBPUECQ-UHFFFAOYSA-N
-rxn:4:178099:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3C)cc21,KFNKHHBGCJJUTE-UHFFFAOYSA-N
-rxn:4:178175:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4(C(=O)OC)CCCC4)cc3)c(F)c2)CC1,WFKWSNBPJKMOHB-UHFFFAOYSA-N
-rxn:4:178381:224325,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c(C(C)(C)C)c1,PAPFBWPPIZRROF-UHFFFAOYSA-N
-rxn:4:178384:226539,CCOC(=O)c1ccc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,RZGXRKVZSMOPKJ-UHFFFAOYSA-N
-rxn:4:178384:226923,Cc1cc(C2CC2)c(C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IZBDSYBGPOYSLU-UHFFFAOYSA-N
-rxn:4:178384:227062,CCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1C,PWLPVYQPMQVECT-UHFFFAOYSA-N
-rxn:4:178384:227541,CCOc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,LFSQDDYCRYKRPG-UHFFFAOYSA-N
-rxn:4:178384:228689,CCOc1ccncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NGLOTYKHGODMDW-UHFFFAOYSA-N
-rxn:4:178384:228922,COc1ccnc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZPTCCAVEKDUGNT-UHFFFAOYSA-N
-rxn:4:178432:223712,COC(=O)CC1COc2cccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c21,VFIOPGSXMTVHFM-UHFFFAOYSA-N
-rxn:4:178467:224376,CCOC(=O)C1=Cc2cc(Cl)cc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c2OC1,ZHQPLVHGCAPHEC-UHFFFAOYSA-N
-rxn:4:178562:222545,COc1ccc2c(c1)OC(=Cc1cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)ccc1OC)C2=O,RKUDTBLAZDFUGD-UHFFFAOYSA-N
-rxn:4:178594:223169,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cnc(C2CCNCC2)nc1,AIXIVUCHAKFHKZ-UHFFFAOYSA-N
-rxn:4:178597:225230,Cc1ccc(C)n1-c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)cn1,OWKHSCRREXYSCX-UHFFFAOYSA-N
-rxn:4:179270:223534,CC(=O)Cc1c(F)cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1F,KKRYCXQGQBIFGL-UHFFFAOYSA-N
-rxn:4:179292:223637,CC(=O)c1cc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1C(F)(F)F,DDYQRWAZYZUNBE-UHFFFAOYSA-N
-rxn:4:180211:222389,CCc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(F)c(C2OCCO2)c1,YRIHJZLULNNEGX-UHFFFAOYSA-N
-rxn:4:180507:222430,C[Si](C)(C)c1c(C2OCCO2)cc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c(F)c1F,QVDADHFDCYGZSR-UHFFFAOYSA-N
-rxn:4:180772:223948,CCC1(CC)CCc2cc(-c3cc(C(=O)OC)cc(C(=O)OC(C)(C)C)c3)ccc2C1=O,UXVNYUUQGAXRJR-UHFFFAOYSA-N
-rxn:4:180792:224649,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3OCC3CCCCO3)cc1C2=O,KEBXQTINJYUPHV-UHFFFAOYSA-N
-rxn:4:180815:222855,COc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C2CCCNC2)c1,ILYNZLGXYHQLKF-UHFFFAOYSA-N
-rxn:4:180815:224064,COc1ccc(-c2cc(C3CC3)cc(N3CCCCC3C)c2)cc1C12CC3CC(CC(C3)C1)C2,UYSKBSZVVLHGGU-UHFFFAOYSA-N
-rxn:4:182066:223520,CC(c1ccc(-c2cccc(C3CC4(CC(=O)C4)C3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,MKHALWIHHNRTCN-UHFFFAOYSA-N
-rxn:4:182354:223814,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c2c1OC1(CCCC1)C2,WTHDWWJOYSYIAE-UHFFFAOYSA-N
-rxn:4:182359:223951,COC1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cc1C2=O,KOPKXFKYUMHTSN-UHFFFAOYSA-N
-rxn:4:182372:223920,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3Cl)cc1C2=O,LKSRJZARASEMOL-CBHYQUCXSA-N
-rxn:4:182374:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)c1,YJELGXFZGKZPSR-UHFFFAOYSA-N
-rxn:4:182376:223003,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(Cl)c(C5CCNCC5)c4)cc3C2=O)C[C@@H]1C,LWDIEIVDVKLLSO-OSELZAKSSA-N
-rxn:4:182376:223712,COc1ccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)cc1C12CC3CC(CC(C3)C1)C2,CMWIWMDFZTVLSQ-DXIONUHESA-N
-rxn:4:182409:222623,CCC(C)c1cc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)ccc3c2)cc(C2CCNCC2)n1,RWQNGPBXTKDGKT-UHFFFAOYSA-N
-rxn:4:183271:222696,O=C(c1cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)ccc1F)N1CCC(O)CC1,LGZSTQIJAKBILN-UHFFFAOYSA-N
-rxn:4:183272:222460,COc1cc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cc2)ccc1F,AWERLZOYQGTMCF-UHFFFAOYSA-N
-rxn:4:183272:223064,Fc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,CNHGYHDTKGRGIH-UHFFFAOYSA-N
-rxn:4:183272:227377,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C2CCCC2)n1,OVBNUEFIAUHVDJ-UHFFFAOYSA-N
-rxn:4:183272:227381,c1cc2c(cc1-c1cnc(C3CCCC3)nc1)OCCOCCOCCOCCOCCO2,ZEIQMTJIFMIFBI-UHFFFAOYSA-N
-rxn:4:183273:222592,Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,VALAAZRPOHHWDM-UHFFFAOYSA-N
-rxn:4:183274:226622,Cc1nn(-c2ccncc2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,LTXPHGHFMKRWKX-UHFFFAOYSA-N
-rxn:4:183274:228199,Cc1nn(C2CCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,XVCCJOQADJKPKY-UHFFFAOYSA-N
-rxn:4:183745:225683,COC(=O)CSC1CCN(C(=O)c2cccc(-c3ccc(C4CCCOC4)nc3C)c2)C1,LFWKVRPMMAKHOH-UHFFFAOYSA-N
-rxn:4:183750:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cc(OC(F)(F)F)ccc1OCCN1CCOCC1,RPXUOSFKCPRKIG-UHFFFAOYSA-N
-rxn:4:183752:225761,CCOC(=O)CCN1C(=O)C(=Cc2cccc(-c3ccc(CC(C)C)cc3[N+](=O)[O-])c2)SC1=S,NGFNWHDRPWTEOE-UHFFFAOYSA-N
-rxn:4:183770:223179,CONC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)ccc1F,PZXXUCUPTPFRQP-UHFFFAOYSA-N
-rxn:4:183791:222933,CCN(Cc1cc(F)cc(-c2cnc(NC(=O)OC(C)(C)C)nc2)c1)C(=O)OC(C)(C)C,AFOXJNUUZUMTQX-UHFFFAOYSA-N
-rxn:4:183798:225603,COCCOc1cc(-c2cccc(C3(C#N)CCC3)c2F)ccc1C(=O)N1CCOCC1,XLJFDLRHYUCDJV-UHFFFAOYSA-N
-rxn:4:183818:225293,CC(C)Oc1cc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)ccc1C(F)(F)F,YBDYWNAZZOCASP-UHFFFAOYSA-N
-rxn:4:183820:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)cc1,CXZLWVDMJBTZFP-UHFFFAOYSA-N
-rxn:4:183889:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3ccc(C(=O)N4CCC(CSCc5ccco5)CC4)o3)ccc21,BXDSUBJXYQZPMK-UHFFFAOYSA-N
-rxn:4:183940:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)c4ccccc4)cc3)c3ccccc23)CC1,KRTTXTOOORHQDJ-UHFFFAOYSA-N
-rxn:4:183962:226310,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(F)c(OCC(C)C)c2)c1,AHRZCUZUIZOBQJ-UHFFFAOYSA-N
-rxn:4:183968:223918,CN(C(=O)c1ccc(F)c(-c2cc(F)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)c1)C1CCCCC1,SDIJSASIJKLDRP-UHFFFAOYSA-N
-rxn:4:183979:225177,COc1ccc(S(=O)(=O)C2CN(C(=O)Cc3ccc(-c4ccc(CN5CCSCC5)c(F)c4)cc3)C2)cc1,NGDCIXUMYIIXOL-UHFFFAOYSA-N
-rxn:4:183987:222673,COc1ccc(-c2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1C=NOC(=O)c1ccc(C(C)(C)C)cc1,IVIQHKFDILEAHB-UHFFFAOYSA-N
-rxn:4:183993:222808,Cc1ccc(-c2cc(C(=O)NC(C)C)cc([N+](=O)[O-])c2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,ZMKKZXGSENYABI-UHFFFAOYSA-N
-rxn:4:184004:225592,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)SC2=S)cc1OC,ZARSWIRWYUQAQY-UHFFFAOYSA-N
-rxn:4:184040:225116,CCCCOc1c(F)c(C)cc(-c2ccccc2C(=O)N2CCC(COCc3ccc(F)cc3)CC2)c1F,DWGLWVROPRCZHN-UHFFFAOYSA-N
-rxn:4:184042:226023,O=C(c1cc(-c2ccc(Cl)c(OCC(F)F)c2F)ccc1Cl)N1CCC(COCc2ccc(F)cc2)CC1,GZZMSUOTLORHFI-UHFFFAOYSA-N
-rxn:4:184072:226024,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cccc(OCC(F)(F)F)c3F)cc2)C1,AOSLTQMOOJRKTH-UHFFFAOYSA-N
-rxn:4:184085:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc1,TXFCTAJKPLQYJC-UHFFFAOYSA-N
-rxn:4:184095:225085,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc3ccc(C(F)(F)F)cc3c2)cc1,XBJRYHZSROPXHO-RUZDIDTESA-N
-rxn:4:184103:222445,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3cccc(C(=O)NCc4cccc(OC)c4)c3F)ccc21,IPYVWZDTJWNXJB-UHFFFAOYSA-N
-rxn:4:184152:224647,CCOC(=O)c1c(C)oc2cc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3F)c(OC(=O)N3CCOCC3)cc12,CMRQKJKLLAHOKQ-UHFFFAOYSA-N
-rxn:4:184154:224424,CCCC1CCC(c2ccc(-c3ccc(CN(CC)C(=O)OC(C)(C)C)c4ccccc34)cc2)CC1,WFMBJBHULNUKMZ-UHFFFAOYSA-N
-rxn:4:184312:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc([N+](=O)[O-])c2OC(C(F)(F)F)C(F)(F)F)c1,CBJAGTOELAXYLW-UHFFFAOYSA-N
-rxn:4:184404:222466,COC(=O)Cc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc(C(F)F)c1C#N,IWOGNJRYNRNGGS-UHFFFAOYSA-N
-rxn:4:184450:224502,COC(=O)Cc1ccc(C(F)(F)F)c(-c2cccc(OCC3CCCCN3C)c2)c1C#N,UUQFYMRGKQEHJM-UHFFFAOYSA-N
-rxn:4:184558:223792,CCOC(=O)c1cc(OC)c(C#N)cc1-c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1,YGYULUVZMZEGFU-UHFFFAOYSA-N
-rxn:4:184584:223541,CCOC(=O)Cc1cc([N+](=O)[O-])c(F)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,BDEWJMPQCUZKGU-UHFFFAOYSA-N
-rxn:4:184763:222389,COC(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)n1C(=O)OC(C)(C)C,JMOYRVNCGZUSDT-UHFFFAOYSA-N
-rxn:4:184832:223866,CCN(CC)c1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1C(=O)OC,CIAFWROOTITLSA-UHFFFAOYSA-N
-rxn:4:184886:224756,O=C(c1ccc(-c2cc(F)ccc2C(=O)N2CCOCC2)c(OCC(F)(F)F)c1)N1CCCC1,OTGXUQWHXNCAOY-UHFFFAOYSA-N
-rxn:4:184913:223813,COC(=O)C1CN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc2OC)C1,VYUDJVLDCKZXER-UHFFFAOYSA-N
-rxn:4:185110:222541,COC1CCN(Cc2ccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cc2OC(F)(F)F)CC1,FUKBOZAERYAPCY-UHFFFAOYSA-N
-rxn:4:185136:224774,FC(F)(F)c1cc(-c2ccccc2CCCN2CCC(C(F)(F)F)CC2)ccc1N1CCCC1,VFIOXVZSDFUNGX-UHFFFAOYSA-N
-rxn:4:185140:225408,COC(=O)C1CCCN(CCc2ccc(F)c(-c3cc4c5c(c3)CCCN5CCC4)c2)C1,FKGLISMGHZTBBL-UHFFFAOYSA-N
-rxn:4:185203:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(OC)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1,SQXAUIBXCWPZSF-UHFFFAOYSA-N
-rxn:4:185217:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccccc2C(=O)N(Cc2ccco2)C2CCOCC2)c1,QSKNGYWNNNDIHK-UHFFFAOYSA-N
-rxn:4:185247:226907,COc1cc(-c2cccc3c2CCC32CC2)cc(OC)c1CN1CCC(C(F)(F)F)CC1,QGGMZFYEXBHOLV-UHFFFAOYSA-N
-rxn:4:185248:223790,COc1cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,BYNGIKIPUBBFBA-UHFFFAOYSA-N
-rxn:4:185278:222819,O=C(Nc1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)c2)cn1)N1CCOCC1,CQESKPHIXOOSNP-UHFFFAOYSA-N
-rxn:4:185306:226179,CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cncc(C2CCCCC2)c1,QTDZROIUKZJPFY-UHFFFAOYSA-N
-rxn:4:185347:226473,CCC1CCCCN1S(=O)(=O)c1cc(OC)c(-c2cccnc2OCCN(C)C)cc1OC,WWCNAWLCKWYVPR-UHFFFAOYSA-N
-rxn:4:185406:223279,COc1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,NAXXSZUIMFFZGF-UHFFFAOYSA-N
-rxn:4:185534:225389,CCC(C)c1cc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cc(C2CC2)c1,CGJYRJFUANIGTQ-UHFFFAOYSA-N
-rxn:4:185626:224663,CN1CCN(Cc2ccc(-c3cc(F)cc4c3C[C@](c3ccccc3)([C@@H]3CCCN3C(=O)OC(C)(C)C)O4)cc2F)CC1,OKCWBJCPBSNDBW-SHUZPENHSA-N
-rxn:4:185647:225914,CCOc1cc(-c2ccc3c(c2)CC[C@H]2N(C(=O)OC(C)(C)C)CC[C@@]32S(=O)(=O)c2ccc(F)cc2)cc(C(F)(F)F)c1,VRXRCHXRPKMCFF-GRKNLSHJSA-N
-rxn:4:185836:223827,CCOC(=O)c1c(F)cc(C#N)cc1-c1cc(C(F)(F)F)ccc1N1CCN(CC)CC1,OKCLOEFAHHMVOS-UHFFFAOYSA-N
-rxn:4:186081:223712,CCOC(=O)c1nc(C2CC2)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)s1,WXOMSLYZKKYKFI-UHFFFAOYSA-N
-rxn:4:186699:223841,CCOc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)ccc1C(=O)N1CCC1,KARGWSKDLSKAJD-UHFFFAOYSA-N
-rxn:4:186744:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(C(=O)N3CCCC3)c(OC(F)(F)F)c2)cc1,FHNMKAMMTXSPQZ-UHFFFAOYSA-N
-rxn:4:186920:224976,N#Cc1c(-c2cccc(S(=O)(=O)CC(=O)N3CCC(F)(F)C3)c2)cccc1N1CCCCC1,SHJAFZHBJXEYNA-UHFFFAOYSA-N
-rxn:4:186955:224063,COC(=O)C1CN(Cc2cc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)ccc2C)C1,LOWMGOCZRJDVMU-UHFFFAOYSA-N
-rxn:4:187122:223584,CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1,RNJHDGZEBYRZON-UHFFFAOYSA-N
-rxn:4:187144:224969,Cc1cc(-c2cc(CC(=O)N3CCCC(C(F)(F)F)C3)ccc2Cl)ccc1C(=O)OC(C)(C)C,WPARTQICPGLJOB-UHFFFAOYSA-N
-rxn:4:187156:222887,O=C(CS(=O)(=O)c1ccccc1-c1cccc(C(=O)N2CCNCC2)c1)N1CCC(F)(F)CC1,ZVPACUAFUIESPX-UHFFFAOYSA-N
-rxn:4:187177:223835,Cc1cc(F)c(-c2ccc(OCC(=O)N3CCCC(C)C3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,QEDNMJJQXCXWIM-UHFFFAOYSA-N
-rxn:4:187210:222537,COC(=O)C1CCN(Cc2cc(F)ccc2-c2cc(C3CCCC3)nc(C3CCCNC3)c2)CC1,YIQRIWRUGIHNQI-UHFFFAOYSA-N
-rxn:4:187300:224393,CC1CCN(CCOc2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2Cl)CC1,JCCKSXPWAACTDN-UHFFFAOYSA-N
-rxn:4:187323:224587,CC1CCN(Cc2ccc(-c3ccc(CN4CCC(C)CC4)c(OC(F)(F)F)c3)cc2F)CC1,SIFVLRIGHUHYQT-UHFFFAOYSA-N
-rxn:4:187395:223698,CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)SC2=S)cc1,RIGRADXSIWUBOU-UHFFFAOYSA-N
-rxn:4:187424:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)c(CN4CCCC(C)C4)c3)c(F)c2)CC1,LBUYVAIQUZZWOH-FMWDMEFWSA-N
-rxn:4:187437:225101,CCN(CC)C(=O)c1cc(-c2cc(C)ccc2C2CN(C(=O)OC(C)(C)C)C2)ccc1Cl,JYMILEPQRUKXLJ-UHFFFAOYSA-N
-rxn:4:187483:222923,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)NC3CC3)c2)c(OC)c1,MULASZOIJNQOGC-UHFFFAOYSA-N
-rxn:4:187486:225724,COc1ccc(-c2ccc(OCCN(C)C)c(F)c2)cc1S(=O)(=O)N(C)C1CCCCC1,OECATSNRCRDSFM-UHFFFAOYSA-N
-rxn:4:187542:224426,COc1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc(OC)c1CN1CCC(C)CC1,GWTOTSWAAXRSDD-UHFFFAOYSA-N
-rxn:4:187542:224570,COc1cc(-c2ccc(C(C)N3CCN(C)CC3)cc2)cc(OC)c1CN1CCC(C)CC1,GHJVPJIJRPACPW-UHFFFAOYSA-N
-rxn:4:187542:224846,CCC1CCC(c2ccc(-c3cc(OC)c(CN4CCC(C)CC4)c(OC)c3)cc2)CC1,JBHIVRLTJSYQQO-UHFFFAOYSA-N
-rxn:4:187564:224312,CN1CCN(C(=O)c2cc(-c3ccc(CN4CCC(F)(F)CC4)c(Oc4ccccc4)c3)ccc2F)CC1,KGMVBVYPOBYUBJ-UHFFFAOYSA-N
-rxn:4:187591:223812,CC(C)(C)OC(=O)N1CCCC(c2cc(F)ccc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,IJWKMKPVRUPBMK-UHFFFAOYSA-N
-rxn:4:187596:223179,CONC(=O)c1cc(-c2ccc(F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,KMHROAOZAVLPEO-UHFFFAOYSA-N
-rxn:4:187597:223183,CNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)c(C)c1,APFVNMLDDNBPFX-UHFFFAOYSA-N
-rxn:4:187611:224704,COc1ccc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)cc1C1SCCN1S(=O)(=O)c1cccc(C)c1,IJMTZOHHGZNDAC-UHFFFAOYSA-N
-rxn:4:187623:222585,CC(C)Oc1cccc(-c2ccccc2C(=O)NCCN2CCOCC2)c1CN1CCCCC1C,XYTNPRAJSZDGKP-UHFFFAOYSA-N
-rxn:4:187631:223576,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,ZDXMNNMAPYHNSO-UHFFFAOYSA-N
-rxn:4:187634:222958,Cc1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc1C1CCNCC1,MIHURNOPIAWFEJ-UHFFFAOYSA-N
-rxn:4:187642:223812,Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n1,IBDZRPCPBDEKHG-UHFFFAOYSA-N
-rxn:4:187680:227327,CC(C)Oc1ccc(-c2ccccc2C(=O)N(C2CCCCC2)C2CCCCC2)cc1Cl,AECGJNKFFXAFLP-UHFFFAOYSA-N
-rxn:4:187682:222776,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cccc(-c2ccc(CN3CCC(O)CC3)cc2F)c1,AHYMKWIEIGXXHV-UHFFFAOYSA-N
-rxn:4:187688:225748,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccncc2OCC2CCCO2)c(F)c1,IXEYZSHPNLLFQA-UHFFFAOYSA-N
-rxn:4:187692:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)cc3F)c(F)c2)CC1,ILCVVHCHHUZVKD-UHFFFAOYSA-N
-rxn:4:187692:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)cc3F)c2)C1,RRMBEVPCHPPYPC-UHFFFAOYSA-N
-rxn:4:187693:225616,O=C(c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,ZQMPIACPPNVLKA-UHFFFAOYSA-N
-rxn:4:187771:223562,CCOc1cc2nccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2cc1OCC,WGHYMJBOBBBKQD-UHFFFAOYSA-N
-rxn:4:187916:222956,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C)cc1C1CCCNC1,JSEJNWOPFHGXME-UHFFFAOYSA-N
-rxn:4:187916:227119,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C2CCCCC2)cs1,GHPPVKONEFUIJB-UHFFFAOYSA-N
-rxn:4:187956:225107,CCN(CC)C(=O)c1cccc(-c2ccc(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)cc2)c1F,JIZFNAMRYGVXPT-UHFFFAOYSA-N
-rxn:4:187969:224371,COC(=O)C1CCN(c2ncc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cn2)CC1,ACUGEGFRQSUQCO-UHFFFAOYSA-N
-rxn:4:187990:223093,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1,FETOVRRNBPCSKV-UHFFFAOYSA-N
-rxn:4:188557:223598,COC(=O)c1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)noc1C1CC1,QYKFPYAKKXZCSD-UHFFFAOYSA-N
-rxn:4:188787:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc([N+](=O)[O-])c(OC4CC4)cc3Cl)ccc2C)CC1,RYMAIOQOWMLYLV-UHFFFAOYSA-N
-rxn:4:188927:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ncc(C(F)(F)F)cc3S(=O)(=O)CC)c3ccccc23)CC1,JGWRLOHLNBFCFL-UHFFFAOYSA-N
-rxn:4:189370:223993,Cc1cc(-c2ccc(CC(=O)N3CC(F)(F)C3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,LHKUNVMBCGNNSR-UHFFFAOYSA-N
-rxn:4:189384:222522,COc1ccc(-c2cc(C(=O)N3CCC3)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCC(O)CC1,DWAFLENBOCWKJM-UHFFFAOYSA-N
-rxn:4:189847:224462,CC(=O)N(c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,DDEJRNGLWIWXOM-UHFFFAOYSA-N
-rxn:4:189943:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1CS(=O)(=O)N1CCOCC1,ISKFJMIHMKSDAC-UHFFFAOYSA-N
-rxn:4:190076:222606,CC(C)(C)NC(=O)c1c(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2F)cccc1C(F)(F)F,JFEMCSXAHAFGMA-UHFFFAOYSA-N
-rxn:4:190144:222799,Cc1cc(-c2ccc(F)cc2CCN2CCC(F)(F)CC2)ccc1S(=O)(=O)NC(C)(C)C,CYESUQUPGNFGOS-UHFFFAOYSA-N
-rxn:4:190153:222826,COc1c(Cl)cc(C(=O)N2CCC(F)CC2)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,YFJQRFNPIZWPAG-UHFFFAOYSA-N
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-rxn:4:212938:224597,CCC(=O)N1CCCC(COc2ncc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)C1,GOEUJVDZZMJEEV-UHFFFAOYSA-N
-rxn:4:212967:222634,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,CYNDNGOPMASTLX-UHFFFAOYSA-N
-rxn:4:212990:223892,Cc1cccc(CC(=O)N2CC(Cn3cc(-c4ccc(OCCCN5CCN(C)CC5)cc4)cn3)C2)c1,NLAMUDIIBWNLIA-UHFFFAOYSA-N
-rxn:4:212992:225128,COC(=O)C1(c2ccc(F)c(-c3cnc(OCC4CCCN(S(=O)(=O)C5CC5)C4)nc3)c2)CC1,UTIFGXONSDMRQI-UHFFFAOYSA-N
-rxn:4:213014:225794,CCOC(=O)c1nc(N2CCN(CC)CC2)ccc1-c1cnc(OC2CCCCC2)nc1,XIGUTXXJIPDLBR-UHFFFAOYSA-N
-rxn:4:213037:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(CCC(C)C)CC3)nc2)cc1,KNBLXBQXDLYJQQ-UHFFFAOYSA-N
-rxn:4:213037:223602,CC(C)CCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,AXMMJOHGTOZMSQ-UHFFFAOYSA-N
-rxn:4:213037:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OC2CCN(CCC(C)C)CC2)nc1,DYALKSYLWIMKIW-UHFFFAOYSA-N
-rxn:4:213045:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C5CCC5)C4)nc3)c(F)c2)CC1,RJGBHGPWPQYICU-ANRZFKABSA-N
-rxn:4:213079:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,HPVKXYUBQAYYPE-UHFFFAOYSA-N
-rxn:4:213079:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)CC1,ZAXMZSCYPNZZQF-UHFFFAOYSA-N
-rxn:4:213094:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1cccc(C#N)c1N1CCN(C(=O)OC(C)(C)C)CC1,SXZOTENRVIRWGC-UHFFFAOYSA-N
-rxn:4:213112:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccccc3S(=O)(=O)N3CCC(COc4ccc(C)nn4)C3)cc2C)CC1,LXCMFDICKSWVFF-UHFFFAOYSA-N
-rxn:4:213113:224986,N#Cc1cc(N2CCCCC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1,ZXKSEDDHYPYQMD-UHFFFAOYSA-N
-rxn:4:213114:224986,N#Cc1cc(N2CCCCC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)nc1,VJHHBCLRENLCLL-UHFFFAOYSA-N
-rxn:4:213124:224587,CC(C)CN(c1ncc(-c2ccc(CN3CCC(C)CC3)c(F)c2)cc1[N+](=O)[O-])C1CCCCC1,KUTVRRBNAFIJRW-UHFFFAOYSA-N
-rxn:4:213132:222634,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYWIUWBHAIBMQD-UHFFFAOYSA-N
-rxn:4:213132:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)cc1C,DHLQZNHTLGVSRL-UHFFFAOYSA-N
-rxn:4:213141:227884,CCCSc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])cc1,UXAMRSAGOSMHJY-UHFFFAOYSA-N
-rxn:4:213169:224409,O=C(CSc1ccc(-c2ccc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)cc2)nn1)N1CCCCCC1,NUJJXFJRMAHXKW-UHFFFAOYSA-N
-rxn:4:213179:224254,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)c3)CC2)nn1,UHEMCPNPJPUGFJ-UHFFFAOYSA-N
-rxn:4:213195:224704,CC1CCN(c2cc(-c3cnc(OCC4CCN(C(=O)C5CCOCC5)CC4)nc3)cc(F)c2F)CC1,VJLNWCSSYJJLAU-UHFFFAOYSA-N
-rxn:4:213203:224904,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C5CCCCC5)cc4)cc3)CC2)nn1,LNUGXKFAHKUQNP-UHFFFAOYSA-N
-rxn:4:213216:227526,COC(=O)c1ccc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)cc1Cl,XIFZPOJLAUSHDW-UHFFFAOYSA-N
-rxn:4:213222:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)cc(C(F)(F)F)c2)CC1,ZSLGGHKLZHOQJH-UHFFFAOYSA-N
-rxn:4:213222:224718,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCOCC5)nc4)o3)CC2)n1,AEMRGASSEKUEKH-UHFFFAOYSA-N
-rxn:4:213264:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(CC(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)s1,RUQLMMSTZACHRE-UHFFFAOYSA-N
-rxn:4:213265:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)CC1,HTHJKPPIIFKSOQ-UHFFFAOYSA-N
-rxn:4:213268:222818,COC(=O)c1cc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)c(F)cc1NC(C)=O,FODBAGKXFSMDIP-LMKMVOKYSA-N
-rxn:4:213281:226929,Cc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c2cccnc12,ZYZSQSQPBNAQPB-UHFFFAOYSA-N
-rxn:4:213348:223093,CC(=O)N1CCN(C(=O)CCn2ccc3c(-c4cncc(NS(=O)(=O)C(C)C)c4)cccc32)CC1,VJNRHMJKKSBZCS-UHFFFAOYSA-N
-rxn:4:213363:223812,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)nc2c1,JBADCVGVJGLGQE-UHFFFAOYSA-N
-rxn:4:213377:225349,CCCOc1c(F)c(F)c(-c2ccc(Oc3nc4ccccn4c(=O)c3C=C3SC(=S)N(CCC)C3=O)cc2)c(F)c1F,KRLXPEAXSZXSAX-UHFFFAOYSA-N
-rxn:4:213392:224420,Cc1cc2c(cc1-c1cnc(OCC3CCCN(Cc4ccc5c(c4)OCCO5)C3)nc1)C(C)(C)CCC2(C)C,RCNGTXHCLZYQRM-UHFFFAOYSA-N
-rxn:4:213447:222677,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2ccc(F)cc2CNC(=O)OC(C)(C)C)cc1,XNCRGYXZJLDERR-UHFFFAOYSA-N
-rxn:4:213480:224255,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)N5CCCC(C)C5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JJNLEXCWLXHENH-ANLKPUEHSA-N
-rxn:4:213480:224406,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ATXWOOZOJDVKFW-CPPXEKLYSA-N
-rxn:4:213480:225050,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(N5CCC(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YQWVLLFAFWEOGL-RDPIHECBSA-N
-rxn:4:213480:225904,CON(C)C(=O)c1ccc(F)c(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)c1,GCYNCRDCWNKBNO-FGWXRDQWSA-N
-rxn:4:213480:225906,CON(C)C(=O)c1cc(F)cc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)c1,OZMMYWVDMPYJSJ-FGWXRDQWSA-N
-rxn:4:213480:226327,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5(C#N)CC5)cc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XVDSFOIBOKNRFT-IVMILYEGSA-N
-rxn:4:213480:226580,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C(=O)N(C)C)ccc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,SVHWOKRBJWTSOV-FGWXRDQWSA-N
-rxn:4:213481:224968,COC12CC(COC(=O)c3cncc(-c4cc(C)ccc4OCC4CCCO4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,NVQBGWWWWKHNBK-UHFFFAOYSA-N
-rxn:4:213581:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCCN3CCOCC3)nc2)CC1,ZDKZNIFEHKUTLL-UHFFFAOYSA-N
-rxn:4:213633:225294,CCN1CCN(c2ncc(-c3cnn(CC4CCN(CC(F)(F)F)CC4)c3)cn2)CC1,KRWQPYSBRIEVPE-UHFFFAOYSA-N
-rxn:4:213645:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CC(Cn5cc(Cl)cn5)C4)c(F)c3)c(F)c2)CC1,SNZNMWNSCPDANK-AFARHQOCSA-N
-rxn:4:213777:224773,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)c(C)c1,OHVJSILCEVRJKO-UHFFFAOYSA-N
-rxn:4:213782:222614,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)o1)N1CCN(Cc2ccncc2)CC1,LMJCUMPNISAJCZ-UHFFFAOYSA-N
-rxn:4:213794:225226,CC1CCN(c2cc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)c(F)cn2)CC1,DYTQRGIJESDWQA-UHFFFAOYSA-N
-rxn:4:213796:225001,FC1CCCN(Cc2ccc(-c3cnn(CC4CN(CC5CCOCC5)C4)c3)cc2)C1,SPUCUVUHKCJHEI-UHFFFAOYSA-N
-rxn:4:213798:223787,CN1CCN(CCCOc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2F)CC1,DXQDNBSINDOHFM-UHFFFAOYSA-N
-rxn:4:213798:223811,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)C1,JYXXRXZOQKJLGI-UHFFFAOYSA-N
-rxn:4:213799:223046,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(F)c(C(=O)NC4CC4)c3)ncn2)C1,VIGIKHZTIQGMRV-UHFFFAOYSA-N
-rxn:4:213799:225977,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(Cl)cnc3N3CCOCC3)ncn2)C1,RWWUMSINMPRJDU-UHFFFAOYSA-N
-rxn:4:213805:222546,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,ONXPLKQMHNBENP-UHFFFAOYSA-N
-rxn:4:213807:223532,Cc1ccc(=O)n(CC2CN(C(=O)c3ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)C2)n1,ABGXUQLQQFEMGX-UHFFFAOYSA-N
-rxn:4:213822:223812,Cc1nccc(OC2CCN(C(=O)c3cc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)ccc3Cl)C2)n1,NJYWVENSBCLKPK-UHFFFAOYSA-N
-rxn:4:213830:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CCN(CC(C)C)CC3)c2)cc1,VGHQCQTVQNOPII-UHFFFAOYSA-N
-rxn:4:213831:223529,CC(C)CN1CCCC(Cn2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)C1,SQNFSDYRTYWLDA-UHFFFAOYSA-N
-rxn:4:213841:224664,CN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(CC5CCC5)CC4)nc3)c2)CC1,DBIIWNNSUCOLCY-UHFFFAOYSA-N
-rxn:4:213875:225709,CN(C)CCCOc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1,YWOBDHHAYICQPD-UHFFFAOYSA-N
-rxn:4:213878:223182,CCNS(=O)(=O)c1ccc(-c2cnn(C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)c2)cc1,BDZWYQZDGMGMFQ-UHFFFAOYSA-N
-rxn:4:213880:225975,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,GOAIVRAMDVGGJG-UHFFFAOYSA-N
-rxn:4:213910:223285,CS(=O)(=O)Nc1ccccc1-c1cccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1,YIQFCXWAOSEINL-UHFFFAOYSA-N
-rxn:4:213923:224313,CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])c(N4CCN(Cc5ccccc5)CC4)c3)ccc2Cl)CC1,UQPQRHFMCZPWKZ-UHFFFAOYSA-N
-rxn:4:213931:223605,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CCO1)N1CCCC1,QUOSYEPHWWPHGB-UHFFFAOYSA-N
-rxn:4:213944:222516,Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)cc1,GPAXCLQEJVFYBU-UHFFFAOYSA-N
-rxn:4:213948:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnc(OC2CCN(CC3CCCC3)CC2)nc1,GEXAJXDLZPMUBB-UHFFFAOYSA-N
-rxn:4:213948:222958,Cc1ccc(-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)cc1C1CCNCC1,QMFJTBNRRIETMY-UHFFFAOYSA-N
-rxn:4:213954:226259,CCCCOc1ccc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)cc1Cl,FZTQSQNQAKBYRC-UHFFFAOYSA-N
-rxn:4:213990:223880,Cc1ccc2c(c1)cc(-c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc1C)n2C(=O)OC(C)(C)C,FCYQTZGGEKYRCW-UHFFFAOYSA-N
-rxn:4:213991:226760,COC(=O)c1cc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)cc(F)c1F,UNRZWBVVEWGSMK-UHFFFAOYSA-N
-rxn:4:213992:226122,COCc1ccc(C2CC2)c(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)c1,FVRXLLZOZBXYCS-UHFFFAOYSA-N
-rxn:4:214008:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C(C)C)s2)cc1,OVKZXIVHDGNJGO-UHFFFAOYSA-N
-rxn:4:214011:224337,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,UHHHLSDCXIIXIV-UHFFFAOYSA-N
-rxn:4:214033:225633,CC(C)[C@H]1COC(c2cc(-c3ccc(N4CCCCCC4)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,NDYMITQLXUAURT-JWQCQUIFSA-N
-rxn:4:214033:227125,CC(C)[C@H]1COC(c2cc(-c3ccccc3C3CCOC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,YYQLXNSEACRVSY-XTEKXTAFSA-N
-rxn:4:214033:227270,CCOCc1ccc(F)c(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,YZYSZDUWMABJFZ-DNQXCXABSA-N
-rxn:4:214033:227829,CC(C)[C@H]1COC(c2cc(-c3ccccc3C3CCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,PYTXCMSRLYYIIH-JWQCQUIFSA-N
-rxn:4:214078:222433,CCN1CCN(Cc2ccc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cc2N2CCCCC2)CC1,VBJFQQGJQZRJEG-UHFFFAOYSA-N
-rxn:4:214081:229070,COc1ccc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)cn1,IBYJJSTVRLUJDL-UHFFFAOYSA-N
-rxn:4:214082:225748,CC(C)N1CCN(Cc2ccc(-c3ccncc3OCC3CCCO3)cc2N2CCOCC2)CC1,AEKQYHQHCLGBSB-UHFFFAOYSA-N
-rxn:4:214085:228473,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3F)cc2)N=C1C1CCCCC1,MWBXJDTXCREKPB-UHFFFAOYSA-N
-rxn:4:214108:223929,CCOC(=O)c1nc2c([N+](=O)[O-])c(C)ccn2c1-c1cnc2c(c1)CCN(C(=O)OC(C)(C)C)C2,OKCCQBRSRJXEJN-UHFFFAOYSA-N
-rxn:4:214124:223755,COC(=O)c1nn(CC(C)C)c2ncc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)cc12,POPDXOGSEREMMB-UHFFFAOYSA-N
-rxn:4:214146:227036,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2cc(C3CC3)ccc2C#N)C1,YNCLAQUWLCCGTC-UHFFFAOYSA-N
-rxn:4:214153:225222,CC1CCCCN1c1cc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c(F)cn1,JKFVPAIZQQKYNS-OEMAIJDKSA-N
-rxn:4:214153:225831,Cc1cc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cnc1N1CCOCC1,IOQDTOQSRLFODG-QGZVFWFLSA-N
-rxn:4:214162:222826,O=C(c1cc2cc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)ccc2[nH]1)N1CCN(CC(F)(F)F)CC1,ZGYWGHCZTQMJAL-UHFFFAOYSA-N
-rxn:4:214260:224584,CC1CCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCN(C(=O)c5cn(C)c6ccccc56)CC4)o3)c2)CC1,QBVCTBLCWIGIRE-UHFFFAOYSA-N
-rxn:4:214320:222481,Cc1ccc(C)c(NC(=O)c2cc(-c3ccc4ncn(C5CCCN(C(=O)OC(C)(C)C)CC5)c4c3)ccc2F)c1,QYSQDOVMPZDNGW-UHFFFAOYSA-N
-rxn:4:214369:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C3C(C#N)=C(N=CN(C)C)Oc4c3ccc3ccccc43)cc2)cc1,DDGXFGNYEAEJFA-IYOGPWPASA-N
-rxn:4:214384:225852,O=C(N1CCCC(Oc2ncc(-c3cnc(C4CCCCC4)nc3Cl)cn2)C1)C12CC3CC(CC(C3)C1)C2,RHGKTVJDBLQUOY-UHFFFAOYSA-N
-rxn:4:214384:227628,O=C(N1CCCC(Oc2ncc(-c3cnc(C4CCC4)nc3Cl)cn2)C1)C12CC3CC(CC(C3)C1)C2,QVZNMCGBAUFAPJ-UHFFFAOYSA-N
-rxn:4:214390:225975,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(N5CCOCC5)c4Cl)ccc2OC32CCN(C(C)=O)CC2)cc1,MUUJZMBZLNFWQF-UHFFFAOYSA-N
-rxn:4:214629:223712,COc1ccc(-c2cnc(CCC3CCCN3C)cn2)cc1C12CC3CC(CC(C3)C1)C2,GVEKOQOQTLNNKB-UHFFFAOYSA-N
-rxn:4:214650:222466,CN1CCCC(COc2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)C1,XPWQWOSBUUFNTI-UHFFFAOYSA-N
-rxn:4:214680:224762,Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)c(CN2CCCC(C(F)(F)F)C2)n1,PIFYEEFDOAWRIK-UHFFFAOYSA-N
-rxn:4:214680:225004,Cn1cc(-c2ccc(CN3CCC(=O)CC3)cc2)c(CN2CCCC(C(F)(F)F)C2)n1,PYWZSXXXGHPUKA-UHFFFAOYSA-N
-rxn:4:214697:223867,CC1CCN(CCCOc2cccc(-c3cnn(C4CCN(CC5CC5)CC4)c3)c2)CC1,LPNJOVBOHHVQQJ-UHFFFAOYSA-N
-rxn:4:214701:222615,CC(C)Cc1cc(-c2cc([N+](=O)[O-])ccc2CN2CCN(C)CC2)cc(C2CCNCC2)c1,KSTJOWHQJCPGQV-UHFFFAOYSA-N
-rxn:4:214718:224986,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(N4CCCCC4)cc3C#N)c2)CC1,BVABADQUIVTBDO-UHFFFAOYSA-N
-rxn:4:214731:222522,COc1ccc(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1S(=O)(=O)N1CCC(O)CC1,YJZZBCOVIFHKHA-UHFFFAOYSA-N
-rxn:4:214742:224829,COC(=O)c1ccc(-c2cc(N3CCC(N(C)C)CC3)ccc2C#N)cc1OC(F)(F)F,FLQSKZKXJSQFLM-UHFFFAOYSA-N
-rxn:4:214775:224950,COc1ccc(-c2cnc(OC3CCN(C4CCSC4)CC3)nc2)c(CN2CCCC2)c1,ZHCDZOAWZBWURU-UHFFFAOYSA-N
-rxn:4:214791:222704,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1ccc(C2CCNCC2)c(C(F)(F)F)c1,KTNBLAQDQQYKSV-UHFFFAOYSA-N
-rxn:4:214818:226559,CC(C)(C)OC(=O)c1csc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,HMWGLDJVWAWQSN-UHFFFAOYSA-N
-rxn:4:214820:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,YFQSSQXCFKXHOC-UHFFFAOYSA-N
-rxn:4:214826:225275,COCCOc1c(F)c(C)cc(-c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)cn2)c1F,MVDDYMGRCPSSKV-UHFFFAOYSA-N
-rxn:4:214829:226255,CCCCOc1ccc(Cl)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,NNBUMLKRQPFLBP-UHFFFAOYSA-N
-rxn:4:214830:226249,CCCCOc1cc(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,SRKSSVJXMRDELV-UHFFFAOYSA-N
-rxn:4:214836:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,PGYAWQQOOFJIRA-UHFFFAOYSA-N
-rxn:4:214836:224089,CC1CCN(CCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2)CC1,IDBKEJQBBTWEBC-UHFFFAOYSA-N
-rxn:4:214836:226271,CN(C)C(C#N)c1ccccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,LBEDBOMCPNACEZ-UHFFFAOYSA-N
-rxn:4:214837:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1C,MTAPWXYUFXIMMP-UHFFFAOYSA-N
-rxn:4:214837:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,PNAMMUXWSXCDEG-UHFFFAOYSA-N
-rxn:4:214839:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,SOPRIFKLOTUDCV-UHFFFAOYSA-N
-rxn:4:214852:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cncc(C(=O)N2CCC(N3CCCC3)CC2)c1,RHWOMAIBCBKLLQ-UHFFFAOYSA-N
-rxn:4:214854:223106,OC1CCN(c2ncc(-c3cnc(OC4CCN(C5CCOCC5)CC4)nc3)c(Cl)n2)C1,VXYLONYQDRYIRU-UHFFFAOYSA-N
-rxn:4:214855:223056,OC1CCN(c2ccc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)cn2)CC1,ANIOKXKVZJVBEZ-UHFFFAOYSA-N
-rxn:4:214855:225575,COC(=O)c1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1C1CC1,YMJUCLMFEHHAQX-UHFFFAOYSA-N
-rxn:4:214868:225223,CC1CCN(c2cc(F)c(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)cn2)CC1,ASEKQIAXRGHMDA-UHFFFAOYSA-N
-rxn:4:214868:226236,CCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,UHLHAMYHHPANNK-UHFFFAOYSA-N
-rxn:4:214870:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1,XELFBMVCQFGEHM-UHFFFAOYSA-N
-rxn:4:214873:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c(F)c2)CC1,CREUTKUDXMLDKK-FTYYUIOPSA-N
-rxn:4:214875:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1,LJNSSZZRLBTCQS-UHFFFAOYSA-N
-rxn:4:214875:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)c2Cl)CC1,IJNGSEIAAFVNFH-UHFFFAOYSA-N
-rxn:4:214875:223812,O=C(C1CCCN(c2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2F)C1)N1CCSCC1,FJALXZOGDMVOAZ-UHFFFAOYSA-N
-rxn:4:214879:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(N2C(=O)CC(N3CCN(CC)CC3)C2=O)cc1,PMIHDNRKEBUHHU-UHFFFAOYSA-N
-rxn:4:214880:227710,Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,VAKAHJVCKJMWPX-UHFFFAOYSA-N
-rxn:4:214881:228297,CCOC(=O)c1ccc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)s1,HTFXCEXEWNJMCJ-UHFFFAOYSA-N
-rxn:4:214885:227883,CCOCc1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)cc1,HXXSBMGZVQVXEN-UHFFFAOYSA-N
-rxn:4:215027:224400,CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)c21,KBRGSSVRNPVQHT-UHFFFAOYSA-N
-rxn:4:215061:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,XDLUFPKQIPDDAI-UHFFFAOYSA-N
-rxn:4:215142:224059,COc1c(-c2ccc3c(ccn3CC(=O)N3CCN(C)CC3)c2)cc(C(C)(C)C)cc1C(C)(C)C,HAUBQKPTWFRJQE-UHFFFAOYSA-N
-rxn:4:215170:223076,O=C(c1cncc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,VPNFHEGHIKITON-UHFFFAOYSA-N
-rxn:4:215201:224590,CC1CCN(Cc2ccc(-c3cnc4n3CCC43CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,BQBPPBPQOOCYDC-UHFFFAOYSA-N
-rxn:4:215252:223575,CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3c21,YOFGCOLONVSTFJ-NRFANRHFSA-N
-rxn:4:215295:223858,COc1cc2c(cc1-c1cnc3n1CCc1ccccc1C31CCN(C(=O)OC(C)(C)C)CC1)-c1ccccc1C2(C)C,JDUYXGBVUOKYDP-UHFFFAOYSA-N
-rxn:4:215301:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,OZEJENHGTCKVIM-UHFFFAOYSA-N
-rxn:4:215776:223502,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,KCWJIUIPQFMLGA-UHFFFAOYSA-N
-rxn:4:215800:223811,FC(F)(F)C1CCN(c2cncc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)n2)CC1,XCNJKVNAGNANLG-UHFFFAOYSA-N
-rxn:4:215824:223815,COC1CCN(c2ncc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,COHYJHVFRUNWHT-UHFFFAOYSA-N
-rxn:4:215889:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)CC1,QGLLPZGWTYGUHD-UHFFFAOYSA-N
-rxn:4:215911:224672,CCN1CCN(c2ccc(-c3cc(N4CCN(C)CC4)c([N+](=O)[O-])cc3F)c(Cl)c2)CC1,RKRYCVQPMIQGED-UHFFFAOYSA-N
-rxn:4:215950:223835,CCN1CCN(c2ncc(C)cc2-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)CC1,QNMHBBMCPZHDGN-UHFFFAOYSA-N
-rxn:4:215958:222465,CC(C)N1CCN(c2cncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,IWRKGCXNCPBSFU-UHFFFAOYSA-N
-rxn:4:215964:224120,Cc1cc(-c2cc(N3CCCC(C)C3)nc(C3CC3)n2)ccc1CO[Si](C)(C)C(C)(C)C,XKFIHIRACPEKGB-UHFFFAOYSA-N
-rxn:4:215974:224656,COc1ccc(-c2ccc(N3CCC(N4CCOCC4)C3)nc2)c(F)c1OC1CCCC1,ONIAYFUVCXAIIF-UHFFFAOYSA-N
-rxn:4:216204:223811,COc1ccc2c(n1)c(-c1ccc(CN3CCC4(CC3)OCCO4)c(Cl)c1)nn2C1CCCCO1,HJCCXUZDNDPHAP-UHFFFAOYSA-N
-rxn:4:216206:223811,COc1cc2c(cn1)c(-c1ccc(CN3CCC4(CC3)OCCO4)c(Cl)c1)nn2C1CCCCO1,QXIZYLODVSVJQV-UHFFFAOYSA-N
-rxn:4:216265:223490,Cc1ccc(-c2ccc3nc(N4CCN(c5ccccc5)CC4)sc3c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PPMRBUBCKJNGKC-UHFFFAOYSA-N
-rxn:4:217765:223527,Cc1nc(N2CCC2)c2cc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)sc2n1,GCZDHXMYEREKHT-UHFFFAOYSA-N
-rxn:4:217905:223074,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(NS(=O)(=O)C5CC5)c4)ccc2OC32CCN(C)CC2)o1,JYEWCUJXUJRZLG-UHFFFAOYSA-N
-rxn:4:217906:224647,CN1CCC2(CC1)Oc1ccc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3F)cc1C1CC(c3ccccc3)=NN12,BSQADJXKGLMJJZ-UHFFFAOYSA-N
-rxn:4:218579:225313,CCN1CCN(c2oc(COc3ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc3)nc2C#N)CC1,NDRKUDAKRFYLQB-UHFFFAOYSA-N
-rxn:4:218601:222882,CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Cn3cc(-c4cc(F)ccc4C(=O)NC(C)(C)C)cn3)C2)cc1,NWHXSCKASXRLOV-UHFFFAOYSA-N
-rxn:4:218604:224194,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCN(C(=O)c5ccc(OC)nc5)CC4)nc3)cc2Cl)CC1,NINRHMWWQXBCAD-UHFFFAOYSA-N
-rxn:4:218619:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccccc3CCC(=O)N3CCC(n4cc(C5CC5)nn4)C3)cn2)CC1,IKQOUMXPFWNGKN-UHFFFAOYSA-N
-rxn:4:218652:222584,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,LUDJGDBRSXZXJL-UHFFFAOYSA-N
-rxn:4:218655:222896,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cn2)CC1,HUKPQCWGGRDYIY-UHFFFAOYSA-N
-rxn:4:218666:224663,CN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cc2F)CC1,MYXNMFNOTBFBLI-UHFFFAOYSA-N
-rxn:4:218682:224393,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cn3)C2)CC1,UWNZLXKDENHTAJ-UHFFFAOYSA-N
-rxn:4:218704:223812,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)n[nH]2)CC1,GKCRUEGALWRTSK-UHFFFAOYSA-N
-rxn:4:218711:227731,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cscn4)nc3)CC2)CC1,OIYMUAYNITYSAA-UHFFFAOYSA-N
-rxn:4:218729:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(-c2nc3sccn3c2C=NOCC(=O)N2CCOCC2)cc1,ASYGHVFLYFKDMW-UHFFFAOYSA-N
-rxn:4:218755:224612,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4ccc(OCCN5CCOCC5)cc4)cc3n(CC#N)c2=O)CC1,RVVVWYISNGKLMM-UHFFFAOYSA-N
-rxn:4:218766:224572,CC1CCCN(c2ccc(-c3cnc(OCC4CCN(C(=O)Cc5cn(C)c6ccccc56)CC4)nc3)c(C#N)c2)C1,OLCVVSQZJHIBFN-UHFFFAOYSA-N
-rxn:4:218813:224849,CN(CC1CN(c2ncc(-c3cc(C4CCCC4)cc(C4CC4)c3)cn2)C1)C(=O)C1CC1,NRJIKTMBTVVRHI-UHFFFAOYSA-N
-rxn:4:218867:225613,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCCCC4)c3)c2)no1,WWGKKEONGYZJRN-UHFFFAOYSA-N
-rxn:4:218867:226125,COCc1cc(-c2cccc(-c3noc(COC(=O)C4=CN(C)S(=O)(=O)N=C4C)n3)c2)cc(C2CC2)c1,YINZQVPECSSVNV-UHFFFAOYSA-N
-rxn:4:218868:226182,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3C3CCCCC3)cc2)no1,LGMMOFWMDWVRGT-UHFFFAOYSA-N
-rxn:4:218877:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1cnc(OC2CCCN(C(=O)CN3CCOC3=O)C2)nc1,GHNPFHFXEJCGMY-UHFFFAOYSA-N
-rxn:4:218878:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccn4)CC3)c2)cc1F,UEDDEYVLNFURLC-UHFFFAOYSA-N
-rxn:4:218884:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)c(F)cn2)CC1,MOZMBISAKUHTQV-UHFFFAOYSA-N
-rxn:4:218897:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)c2)C1,MSHXSDPFWJIOMB-UHFFFAOYSA-N
-rxn:4:218899:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cnc(OC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1,CKZBARITMHGDIJ-UHFFFAOYSA-N
-rxn:4:218919:222546,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)cn1,DEJXHDXNBGGPBB-UHFFFAOYSA-N
-rxn:4:218944:223084,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3)cc2[N+](=O)[O-])CC1,TUTJGGNBFYFSEW-UHFFFAOYSA-N
-rxn:4:218944:225784,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CN4CCOCC4)nc3)cc2[N+](=O)[O-])CC1,BTWKJTQQFQZOTL-UHFFFAOYSA-N
-rxn:4:218944:227517,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OC4COC4)nc3)cc2[N+](=O)[O-])CC1,ZSZZNUYKLRAQHE-UHFFFAOYSA-N
-rxn:4:218961:223492,COc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)no2)cc1OC,PCWTYBMMXUNBGX-UHFFFAOYSA-N
-rxn:4:218991:223136,Cn1cc(-c2ccncc2C2CCCNC2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,PCNRWBGRERJWCY-UHFFFAOYSA-N
-rxn:4:218998:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)cc(C(F)(F)F)c2)CC1,OKWAYAFAZHKOHX-UHFFFAOYSA-N
-rxn:4:219001:227478,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cncc(C(OC)OC)c3)C2)C(=O)C1=O,ORLGIZHJCURZHR-UHFFFAOYSA-N
-rxn:4:219011:227610,CN(c1cnc(-c2ccn(C3CCCCO3)n2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,WXKCJDYDWZUICH-UHFFFAOYSA-N
-rxn:4:219029:222456,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1,NBPRGXZUKJLDNO-UHFFFAOYSA-N
-rxn:4:219046:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,ULGBXNUSDIOTKF-UHFFFAOYSA-N
-rxn:4:219046:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,LJJFYYAURQLVPJ-UHFFFAOYSA-N
-rxn:4:219072:226612,O=C(Cc1nnc(-c2cccc(-c3cnc(N4CCCCC4)nc3)c2)o1)N1CCN(C2CCCCC2)CC1,QTIDNIWXVQVPBK-UHFFFAOYSA-N
-rxn:4:219101:223931,CCCCn1c(=O)c2c(nc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)n2C(C)C(C)=O)n(C)c1=O,HUIQYNRGVPQTKS-UHFFFAOYSA-N
-rxn:4:219129:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)ccc2Cl)CC1,LWRANNGUHUFXAY-UHFFFAOYSA-N
-rxn:4:219137:223522,CC(C)n1c(SCc2nc(-c3ccc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)cc3)no2)nc2ccccc2c1=O,FQNCSHQHTRMOAF-UHFFFAOYSA-N
-rxn:4:219184:227403,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCCCC5)s4)cc2)OC3)CC1,NTIOEDNJQRISIO-UHFFFAOYSA-N
-rxn:4:219244:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ncnn2C2CN(C(=O)OC(C)(C)C)C2)c1,NOWMSOBBDLGPGH-UHFFFAOYSA-N
-rxn:4:219271:222437,O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1,DBRDJFPEOUWZAR-UHFFFAOYSA-N
-rxn:4:219343:223755,CC1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(c4nnc(C5CC5)s4)C3)cc2F)CC1,QQXYJIGGLMAAPP-UHFFFAOYSA-N
-rxn:4:219354:222583,CN(C1CCN(c2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,QSFBHSHHHOYGGW-UHFFFAOYSA-N
-rxn:4:219354:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)C2)nc1,RTCHLSWUMPQXJR-UHFFFAOYSA-N
-rxn:4:219354:222693,CN(C1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,UGVPEHMFLBMCRG-UHFFFAOYSA-N
-rxn:4:219354:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(N(C)S(=O)(=O)C5CC5)C4)nc3)cc2)CC1,WGTUIQBLUJSSIE-IGFROFNYSA-N
-rxn:4:219400:223553,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(-c3cncc(C(=O)N4CCN(c5ccnc(C(F)(F)F)c5)C(=O)C4)c3)cc2)cc1,WPKLASGMHRVKLX-UHFFFAOYSA-N
-rxn:4:219403:226144,C[Si](C)(C)C#Cc1ccc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)cc1,BYPXAOHSAMZWJJ-UHFFFAOYSA-N
-rxn:4:219403:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cnn(CC2CN(C3CCN(C4CC4)C3=O)C2)c1,KKVHWKLUFZOESK-UHFFFAOYSA-N
-rxn:4:219419:223608,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)o3)CC2)cc(C(F)(F)F)n1,WRBAAVMGWYVJKS-UHFFFAOYSA-N
-rxn:4:219451:223074,Cn1cc(-c2cccc(NS(=O)(=O)C3CC3)c2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,ZPBXMVZBKSRGGY-UHFFFAOYSA-N
-rxn:4:219453:223639,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(N5CCN(Cc6ccccc6)CC5)nc4)cn3)C2)C1=O,NFBKBXCNMRMJJJ-UHFFFAOYSA-N
-rxn:4:219463:223533,Cc1cc(OCC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)ccn1,JZTFLBURQYBHIG-UHFFFAOYSA-N
-rxn:4:219488:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1,VZACMVOYGWYOPW-SFHVURJKSA-N
-rxn:4:219501:224016,CSc1ncc(-c2cn(S(=O)(=O)N(C)C)nc2-c2ccccn2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,AEHLQUGLECCTOC-UHFFFAOYSA-N
-rxn:4:219506:225679,O=S(=O)(c1ccc(-c2ccc(N3CCCCC3)cc2F)cc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,NGPADPJDSLCLGP-UHFFFAOYSA-N
-rxn:4:219516:222947,CN1CC(CN2CCC(Oc3ncc(-c4cnc(N5CCCC(O)C5)nc4Cl)cn3)CC2)CC1=O,QSTYFDFSNVRMHP-UHFFFAOYSA-N
-rxn:4:219518:223698,Cc1ccc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)CC2)nn1,OTSMDPNBOSXFLI-UHFFFAOYSA-N
-rxn:4:219524:224653,Cc1cc(C)nc(OC2CCCN(C(=O)c3cncc(-c4ccc(Cl)cc4OCC4CCCCO4)c3)C2)n1,ABDZHSFZJJYNQG-UHFFFAOYSA-N
-rxn:4:219531:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)c1Cl,WYDMNRZVVRFPDJ-UHFFFAOYSA-N
-rxn:4:219534:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,HOQVCXWESXRLAZ-UHFFFAOYSA-N
-rxn:4:219536:222629,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)o3)CC2)cn1C,JEMQQFOQINHMTR-UHFFFAOYSA-N
-rxn:4:219538:225510,COc1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)c2ccc(C)nc12,CODRQMKFMKYZOT-UHFFFAOYSA-N
-rxn:4:219543:222989,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCNCC5)cc4C)cc3)CC2)n1,QTSWCILDKGVHSZ-UHFFFAOYSA-N
-rxn:4:219543:225592,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)CC2)n1,WGYMYLWHMMPCCB-UHFFFAOYSA-N
-rxn:4:219654:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,KYOKKHKGWOGJOW-UHFFFAOYSA-N
-rxn:4:219654:224498,CCN1CCN(Cc2ccccc2-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)CC1,ADYXNWVXWIRZLJ-UHFFFAOYSA-N
-rxn:4:219690:226742,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(C#N)cc4C(F)(F)F)cc32)CC1,RDOHWUWQFYRDIG-UHFFFAOYSA-N
-rxn:4:219695:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCN(Cc4nc5ccccc5[nH]4)CC3)cc2F)CC1,HIVXMZZTLBNOEH-UHFFFAOYSA-N
-rxn:4:219706:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(OCCN5CCOCC5)nc4)c(Cl)cc23)CC1,GTZZZQDGESXSAC-UHFFFAOYSA-N
-rxn:4:219748:225592,O=C(c1cc2nc(-c3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)cc(C(F)(F)F)n2n1)N1CCCCCC1,UIMINXPERAQWGM-UHFFFAOYSA-N
-rxn:4:219750:225209,COc1ccc(-c2cnc(N3CCCCC3C)nc2C)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,LOXJDBMYDAGIGA-UHFFFAOYSA-N
-rxn:4:219760:224155,CN1CCN(c2cc(-c3cccc(Cn4nc5c(S(=O)(=O)N6CCCCCC6)cccn5c4=O)c3)cc(C3CC3)c2)CC1,KPSPZAPAUQAOQC-UHFFFAOYSA-N
-rxn:4:219849:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccccc1S(=O)(=O)N1CC(n2nccn2)C1,ARTLBGOWXCQOER-UHFFFAOYSA-N
-rxn:4:219861:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CC(n5nccn5)C4)c3C)ccc2OC)CC1,TXMITIROXCIUSN-UHFFFAOYSA-N
-rxn:4:219876:223812,CCN1CCN(C(=O)c2cnn(C)c2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,TXHBMDFZWLTGRH-UHFFFAOYSA-N
-rxn:4:219909:223671,Cn1cnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cc1=O,OXJWCNYKIFVUEZ-UHFFFAOYSA-N
-rxn:4:219913:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CCN(c5cc(C#N)ccn5)CC4)cc3)c2)CC1,RBOYWZVLXHFXIV-UHFFFAOYSA-N
-rxn:4:219931:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,ZLWRVHMKOITWTN-UHFFFAOYSA-N
-rxn:4:219933:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc(CN4CCN(c5ccncn5)CC4)c3)cc2)CC1,DCFBSWDLRUMBBW-UHFFFAOYSA-N
-rxn:4:219959:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,WJCZIUOAIQHZCH-UHFFFAOYSA-N
-rxn:4:219975:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)ccn2)CC1,VVHMOGYNYKKYOZ-UHFFFAOYSA-N
-rxn:4:220133:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2nccn2)C3)cc1S(=O)(=O)NC1CCCC1,RQDMSPHGLHXEEO-UHFFFAOYSA-N
-rxn:4:220136:223997,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc(C)c1S(=O)(=O)N1CCOCC1,MQMPFWLWIAXVQE-UHFFFAOYSA-N
-rxn:4:220158:224324,O=C1CCN(C(=O)c2cc(-c3ccccc3S(=O)(=O)N3CC4CN(c5cnccn5)CC4C3)ccc2F)CC1,GOZNCTOJDDSBKM-UHFFFAOYSA-N
-rxn:4:220159:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c3ccccc23)CC1,CIRBMZIPAWMBLL-UHFFFAOYSA-N
-rxn:4:220162:222985,CSc1ncc(-c2ccc(C3CCCNC3)nc2C)c(N2CC(N3CC4CCCC4C3)C2)n1,DIUFFTFBSNVZOE-UHFFFAOYSA-N
-rxn:4:220162:225810,COc1ccc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)c(C2OCCO2)c1,KKGDRLYJMRAGNI-UHFFFAOYSA-N
-rxn:4:220205:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c2)CC1,JEBZLUCNTSIMOP-UHFFFAOYSA-N
-rxn:4:220222:222583,Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,QSDXGBWQRYEWQO-UHFFFAOYSA-N
-rxn:4:220400:224317,CN1CCN(C(=O)c2ccc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)n3)c(F)c2)CC1,YDQQVOSNSXSYPS-UHFFFAOYSA-N
-rxn:4:220429:225313,CN1CCN(c2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c(F)n2)CC1,VTUTYLSWYXBWGL-UHFFFAOYSA-N
-rxn:4:220491:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3nc4n(n3)CCN(C(=O)C(C)(C)C)C4)c(F)c2)CC1,FVIXVOVDZKGTTN-MXVIHJGJSA-N
-rxn:4:220496:223480,Cc1cc(-c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QWDNXXJTJKZYEM-UHFFFAOYSA-N
-rxn:4:220533:222891,COc1cc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc(C2CCNCC2)n1,BJYRYZDZXNIURH-UHFFFAOYSA-N
-rxn:4:220533:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,OBHVJEXOBNBQIP-UHFFFAOYSA-N
-rxn:4:220533:224973,CN1CCN(Cc2cccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c2)CC1,SAMAEVJZHZZAPP-UHFFFAOYSA-N
-rxn:4:220536:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)c2s1,VBOPEAFYMIHFEC-UHFFFAOYSA-N
-rxn:4:220547:225223,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCC(C)CC6)cc5F)c(C)c4)C3C2=O)c1,AGLGBJUGRWYXQM-UHFFFAOYSA-N
-rxn:4:221108:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1cnc(OCC2CCN(C(=O)Cn3cnc(C)c(C)c3=O)CC2)nc1,KBLQDHADNLQXHW-UHFFFAOYSA-N
-rxn:4:221110:227381,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc(C5CCCC5)nc4)cn3)CC2)CC1,MOWZOJVSYIJDJH-UHFFFAOYSA-N
-rxn:4:221110:228884,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc(Cl)c(C#N)c4)cn3)CC2)CC1,JXFQYAFMQXQAIG-UHFFFAOYSA-N
-rxn:4:221110:229220,Cc1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c(C)s1,OTKVNZNTTLKCAO-UHFFFAOYSA-N
-rxn:4:221116:229288,CCOc1ccc(-c2ccc(C)s2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,QEAKUZRGIPMZKD-UHFFFAOYSA-N
-rxn:4:221121:223124,CC(C)NC(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,HPBDUJVMUXEDHG-UHFFFAOYSA-N
-rxn:4:221152:222546,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,DHHKNZMHUXCTEW-UHFFFAOYSA-N
-rxn:4:221152:223787,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,JPXIHWGQUUPFTK-UHFFFAOYSA-N
-rxn:4:221168:223682,Cn1cc(CN2CCCC(COc3ncc(-c4c(C(F)(F)F)ccc5c4cnn5C4CCCCO4)cn3)C2)cn1,WYKVXAOBIWUFLZ-UHFFFAOYSA-N
-rxn:4:221170:223533,CCc1cnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)nc1,OCZMFBYZEYFFFA-UHFFFAOYSA-N
-rxn:4:221175:227946,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(C)(C)C)nc4)cn3)C2)C(=O)C1=O,KZXBYDZSBSWMNP-UHFFFAOYSA-N
-rxn:4:221180:224592,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)nn1C,UYIWYELRTKIRQU-UHFFFAOYSA-N
-rxn:4:221180:224819,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cn3)CC2)nn1C,HLABQNQRPHBVSE-UHFFFAOYSA-N
-rxn:4:221183:224759,Cc1nn(C)cc1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,QSZDDRGUMMKDKG-UHFFFAOYSA-N
-rxn:4:221207:226552,CCCOc1c(F)cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)cc1Cl,CVPJWVVLYXAVLV-UHFFFAOYSA-N
-rxn:4:221208:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(CCN5CCN(c6cc(C)nc(N7CCOCC7)n6)CC5)cc4)c3C(=O)C1C2(C)C,UGSWBFNGUPSQNS-UHFFFAOYSA-N
-rxn:4:221214:222715,CCN(CC)C(=O)Cn1c(-c2cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c2)nc2c1c(=O)n(C)c(=O)n2C,MPTITCVYQIHZPR-UHFFFAOYSA-N
-rxn:4:221232:222546,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C1)CCOC2,YXQSOKCIZJFCTR-UHFFFAOYSA-N
-rxn:4:221233:222634,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)CC3)ccc2n1,NJYXMNNTDMQVMG-UHFFFAOYSA-N
-rxn:4:221251:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(-c5cc(N6CCCN(C(=O)Cc7c[nH]c8ccccc78)CC6)[nH]n5)cc4)c3C(=O)C1C2(C)C,RRUWRKMOQMOETD-UHFFFAOYSA-N
-rxn:4:221360:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,KYRLAYIXRUPHQP-UHFFFAOYSA-N
-rxn:4:221363:223568,Cc1ccnc(N2CCCC(COc3ncc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cn3)C2)n1,FLDOXHHQTKPUSM-UHFFFAOYSA-N
-rxn:4:221369:223532,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ccc1=O,LIWIOQPVCGKCNM-UHFFFAOYSA-N
-rxn:4:221374:223945,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)c1=O,FQIVXGKEAZBUKX-UHFFFAOYSA-N
-rxn:4:221387:223638,Cc1ncnc(OCC2CCN(c3ncc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cn3)CC2)c1C,HHTISAHFRLLHGO-UHFFFAOYSA-N
-rxn:4:221388:224199,CC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5cc(C)nc(C)n5)C4)nc3)cc2)CC1,ZDNUZOCPLHFISJ-UHFFFAOYSA-N
-rxn:4:221398:227685,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C#N)c([N+](=O)[O-])c4)cn3)CC2)CC1,LIMANIXXBBFIEJ-UHFFFAOYSA-N
-rxn:4:221411:225804,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(C(=O)N5CCC5)c(F)c4)c3)CC2)n(C2CC2)c1=O,KACPAVMGOJEEPO-UHFFFAOYSA-N
-rxn:4:221412:223787,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)n1,BDXUQXFMXVADEC-UHFFFAOYSA-N
-rxn:4:221420:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2F)CC1,SYZNXAHIRKKZLN-UHFFFAOYSA-N
-rxn:4:221422:227206,Cc1c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)ccc2c1COC2=O,COGPLKODEXBMHC-UHFFFAOYSA-N
-rxn:4:221432:226524,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c(F)c1,RMNZPBIZRWAAKB-UHFFFAOYSA-N
-rxn:4:221438:222826,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)o3)CC2)nn1,PHWRTFIXUVVSAA-UHFFFAOYSA-N
-rxn:4:221440:226283,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(OCC(C)C)ccc4F)cc3)CC2)n1,UHXVSTSPLXTRGU-UHFFFAOYSA-N
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-rxn:4:221449:223242,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2)n1,VAWZFDGIKULKFS-UHFFFAOYSA-N
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-rxn:4:221491:222735,O=C(NC1CCCCC1)c1cccc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)c1,AXJPNJZTOCBXAF-UHFFFAOYSA-N
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-rxn:4:222039:225638,CC1CCN(c2ccc(-c3ccc(-n4cnnn4)c(C(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3)cn2)CC1,BIQRJXWXJNGZGS-UHFFFAOYSA-N
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-rxn:4:222337:225312,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCCN(C)CC5)nc4)cn3)CC2)n1,IXSJRZDTZJVRKW-UHFFFAOYSA-N
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-rxn:4:222360:222694,COCCn1cnc2c(N3CCN(c4ncc(-c5cccc(S(=O)(=O)NC6CCCCC6)c5)cn4)CC3)ncnc21,OVMBLPASWAPKQG-UHFFFAOYSA-N
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-rxn:4:222601:214838,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)cccc2s1,CEHQUSGYILZAHW-UHFFFAOYSA-N
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-rxn:4:222741:219000,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,JKJVXYJZHYCPIR-UHFFFAOYSA-N
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-rxn:4:223080:185521,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(CCCOC(C)C)C(=O)CO3)cc1,ZHZWMLIHNSNIGC-UHFFFAOYSA-N
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-rxn:4:226844:187677,CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,CDTIMVQAARZIBC-UHFFFAOYSA-N
-rxn:5:176590:223062:225943,CCOC(=O)c1c(-c2ccc(C(=O)N3CCOCC3)s2)cccc1-c1cnc(C2CCNCC2)cc1F,VJYJKAYHARCBIN-UHFFFAOYSA-N
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-rxn:5:177190:222993:226662,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cccc(N3CCCCC3O)c2)c1,ANMDMOCVUIYOAN-UHFFFAOYSA-N
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-rxn:5:177190:225639:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cccnc2N2CCC(C)CC2)c1,UIKXROHTHPXYIZ-UHFFFAOYSA-N
-rxn:5:177190:225784:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(CN3CCOCC3)nc2)c1,UDFHGHQQGYCGEG-UHFFFAOYSA-N
-rxn:5:177190:225805:222959,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,IMJXJSNXNGQDGG-UHFFFAOYSA-N
-rxn:5:177190:225805:227656,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCOCC3)cs2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,IAZDKUQUEUUSSH-UHFFFAOYSA-N
-rxn:5:177190:226426:222993,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2ccc(N3CCC(C)CC3)s2)c1,WWRBYBQKHMNOJE-UHFFFAOYSA-N
-rxn:5:177729:225439:223132,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cccc(N4CCNCC4)c3)c2)c1)N1CCCC1,PVXFTURARHXCOD-UHFFFAOYSA-N
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-rxn:5:180377:225871:226661,CC(C)c1cc(-c2cc(N3CCN(C)CC3)cs2)cc(C(C)C)c1-c1cccc(N2C(=O)C=CC2=O)c1,FEQWXJNOJHASSA-UHFFFAOYSA-N
-rxn:5:180422:225832:227377,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cncnc1C1CCCC1,KUGNPIDZIDFONE-UHFFFAOYSA-N
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-rxn:5:182011:226686:222998,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1cc(F)cc(C2CCCNC2)c1,SGXQDGVHUMJTEK-UHFFFAOYSA-N
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-rxn:5:188461:225611:226572,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(N3CCCC3)cc2OC)c1-c1cnc(OC2CCCC2)nc1,SFAOWZDJQKOQCB-UHFFFAOYSA-N
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-rxn:5:189336:223173:225633,CN(C(=O)c1ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c(-c2ccc(N3CCCCCC3)nc2)c1)C1CC1,KFNYEAWMHLIBSG-UHFFFAOYSA-N
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-rxn:5:189778:226330:225435,CC(c1ccc(-c2ccc(-c3ccccc3CN3CCCCC3)c(CCN3CCCC3)c2)s1)N1CCCC1,WCFDGWVGJDTXDW-UHFFFAOYSA-N
-rxn:5:189829:225804:223215,COc1c(-c2ccc(C(=O)N3CCC3)c(F)c2)cc(C(=O)N2CCCC2)cc1-c1ccc2c(c1)NC(=O)CC2,YSPVZYUKVSRISX-UHFFFAOYSA-N
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-rxn:5:189909:225976:223061,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(CCN2CCOCC2)c1,UDRQPNVUSCEVSA-UHFFFAOYSA-N
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-rxn:5:190001:226875:227018,CC(C)(C#N)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(F)c(OC(F)F)cc2F)cc1,MFSBPUQDTOEWNO-UHFFFAOYSA-N
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-rxn:5:190194:227592:225394,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,VHIPXGOTFOOWLX-UHFFFAOYSA-N
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-rxn:5:190195:226187:227377,CN(Cc1ccc(-c2cccc(C3CCOCC3)c2)c(-c2cncnc2C2CCCC2)c1)C1CCOCC1,ZYUYMBYUMWKUFB-UHFFFAOYSA-N
-rxn:5:190196:226588:223113,CN(Cc1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,GNOKEAOZHWQNQY-UHFFFAOYSA-N
-rxn:5:190196:227907:225611,CCC(C)c1cncc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(N4CCCC4)cc3OC)c2)c1,LBDSDSPMNZGZBC-UHFFFAOYSA-N
-rxn:5:190197:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,OPQKHEDCWZDIHY-UHFFFAOYSA-N
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-rxn:5:190484:226665:227507,O=C(c1cccc(-c2cnc(C3CCCOC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,CKUZDLMWQVJYTO-UHFFFAOYSA-N
-rxn:5:190484:228198:227102,Cc1nc(C(C)C)ncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ccc3F)S(=O)(=O)CC2)c1,YCPFSICGAMYMPQ-UHFFFAOYSA-N
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-rxn:5:190742:225976:226583,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(CN2CCOCC2)s1,NEHACQYHEWDVKF-UHFFFAOYSA-N
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-rxn:5:190743:225976:225639,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cccnc1N1CCC(C)CC1,HIRHFKCFCZBXLT-UHFFFAOYSA-N
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-rxn:5:190744:225982:226662,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCN(C)CC2)s1,SBLOVYSOHBGIIE-UHFFFAOYSA-N
-rxn:5:190832:225834:225655,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCCC4)ncc3F)c(C)c2c1-c1cncc(N2CCC(C)CC2)c1,MEYVXFDGQSWBKM-UHFFFAOYSA-N
-rxn:5:190833:227065:227819,CCc1cc(CC)cc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,UIVPTXRULRQBMK-UHFFFAOYSA-N
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-rxn:5:191026:227810:226910,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)CC)cc4)c2)C=C(C(=O)OC)S3(=O)=O)cc1,BFIWXOAIQGLGTN-UHFFFAOYSA-N
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-rxn:5:191049:226174:227357,CCC(=O)c1cc(-c2cc(OC)c(N3Cc4cc(-c5ccc(C6CCCCC6)nc5)ccc4OCC3=O)cc2OC)ccc1F,QCONSEXITFWKSK-UHFFFAOYSA-N
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-rxn:5:192235:226649:225805,COc1cc(-c2cccnc2N2CCOCC2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1S(N)(=O)=O,CBGCNMGUEXFNPE-UHFFFAOYSA-N
-rxn:5:193055:225613:223192,CNS(=O)(=O)c1cc(-c2cc(-c3ccnc(OC4CCCCC4)c3)ccc2C2(C#N)CCCC2)ccc1F,YKDAUPJLPKPZIE-UHFFFAOYSA-N
-rxn:5:193055:225985:226366,N#CC1(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(N3CCCCC3)c2)CCCC1,IXSUCNCUJJIYJS-UHFFFAOYSA-N
-rxn:5:193225:226345:225470,COC(=O)c1cc(-c2ccc(-c3ccc(N4CCC(C)CC4)cc3)c(C(=O)N3CCOCC3)c2)c(C)cc1C,HCFQSDOLLPCYNR-UHFFFAOYSA-N
-rxn:5:193226:225655:223062,CC1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3-c3cnc(C4CCNCC4)cc3F)c2)CC1,SZASYMBUANUGDI-UHFFFAOYSA-N
-rxn:5:193226:225803:223006,O=C(c1ccc(-c2ccnc(OC3CCOCC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,QJESPTQXBPRWPH-UHFFFAOYSA-N
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-rxn:5:193229:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1c(C(=O)N2CCOCC2)cccc1-c1ccc(C2CCOCC2)s1,OYOAGTKQEMZQEG-UHFFFAOYSA-N
-rxn:5:193230:223006:225784,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccc(CN2CCOCC2)nc1)N1CCOCC1,DHOUKMGQEZNLRK-UHFFFAOYSA-N
-rxn:5:193331:223135:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccnc2C2CCCNC2)ccc1CN1CCOCC1,JRHDVTNXAMEIAE-UHFFFAOYSA-N
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-rxn:5:193537:223186:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCCCC2)c1-c1cnn(C2CCCCO2)c1,YCNBBGPHTCTFHN-UHFFFAOYSA-N
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-rxn:5:193972:226414:228890,Cc1cc(-c2ccc(C3=NCCCO3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,BHJOAHLFKPPFCC-UHFFFAOYSA-N
-rxn:5:193972:226663:228888,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)ncc1F,BUGYAAIMYBZUIU-UHFFFAOYSA-N
-rxn:5:193972:226794:228740,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C#N)cc1F,RRTGEVHLBXOCGC-UHFFFAOYSA-N
-rxn:5:193972:226794:228883,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)cnc1F,FPNOZFFPFUWXET-UHFFFAOYSA-N
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-rxn:5:193972:228744:225634,Cc1cc(-c2ccc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,UOBFPPCYSCKRGJ-UHFFFAOYSA-N
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-rxn:5:193972:228883:223131,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCNCC2)cc1,FYTORXPDPMRGEY-UHFFFAOYSA-N
-rxn:5:193972:228883:226364,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,CUHGMVDZQAUYTB-UHFFFAOYSA-N
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-rxn:5:193972:228976:225634,Cc1cc(-c2ccc3c(c2)C=C3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,LNPKXCRCELQLSJ-UHFFFAOYSA-N
-rxn:5:193972:228987:223056,Cc1cc(C)cc(-c2cc(C)c(-c3ccc(N4CCC(O)CC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,BJMRJOVROHVNAF-UHFFFAOYSA-N
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-rxn:5:193972:229055:225641,Cc1cc(-c2cncc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC(C)C2)c1,QJIYRSQSLOYBHK-UHFFFAOYSA-N
-rxn:5:193972:229060:225634,Cc1cc(-c2ccc(C#N)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,RZYMLDAJFWAFAD-UHFFFAOYSA-N
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-rxn:5:194058:225437:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(CN3CCCCC3)c2)s1)N1CCCCC1,KQSOFBZTWXERJW-UHFFFAOYSA-M
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-rxn:5:194522:223173:225633,CC(C)CN1CCc2c1ccc(-c1ccc3c(c1)C(O)CS3(=O)=O)c2-c1ccc(N2CCCCCC2)nc1,SUCDDPJTXRRYIX-UHFFFAOYSA-N
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-rxn:5:194575:226366:226662,CN1CCN(c2ccc(-c3cc4c(s3)CCN(S(=O)(=O)c3ccccc3-c3ccnc(N5CCCCC5)c3)C4)s2)CC1,YZOZGSUNYCFSAV-UHFFFAOYSA-N
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-rxn:5:196669:225832:223004,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCC2)cc1-c1ccc(C2CCNCC2)c(F)c1,HWCOUXULVXGLMR-UHFFFAOYSA-N
-rxn:5:196670:225653:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(-c2ccc(N3CCCCC3C)nc2)c1C1CCCC1,QLBXIDAGIBVDAL-UHFFFAOYSA-N
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-rxn:5:196794:225976:226583,O=C1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)s1,RWTUNJHDPDRUIY-UHFFFAOYSA-N
-rxn:5:196858:222985:222998,Cc1nc(C2CCCNC2)ccc1-c1cnc(C2CCOCC2)cc1-c1cc(F)cc(C2CCCNC2)c1,LBVNPXZITUQFDC-UHFFFAOYSA-N
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-rxn:5:196859:222985:222958,Cc1ccc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCCNC3)nc2C)cc1C1CCNCC1,RSYADYSMWILZKH-UHFFFAOYSA-N
-rxn:5:196859:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccnc(C2CCCNC2)c1,IELFNQBVJXPESC-UHFFFAOYSA-N
-rxn:5:196873:226382:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCOCC2)ccc1-c1cnc(C2CCCCC2)nc1,VRCYGMDHKJOHDM-UHFFFAOYSA-N
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-rxn:5:196917:225656:225985,CC1CCCCN1c1cncc(-c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2C2=NC(C)(C)CO2)c1,ZOZQLJWZLACTMB-UHFFFAOYSA-N
-rxn:5:196917:225834:223173,CC1(C)COC(c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2cc(N3CCCCC3)ncc2F)=N1,FPTMTVJKXNKULQ-UHFFFAOYSA-N
-rxn:5:196917:225987:226181,CC1(C)COC(c2cc(-c3ccc(C4=CCCCC4)nc3)ccc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,GAXHOGNGMDMVCC-UHFFFAOYSA-N
-rxn:5:196917:225987:226395,CC1(C)COC(c2cc(-c3cncc(N4CCCCC4)c3)ccc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,VWHVGZPGBCJIJE-UHFFFAOYSA-N
-rxn:5:196917:226177:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccnc(C3CCCCC3)c2)=N1,RSPJKSNKKGHAHC-UHFFFAOYSA-N
-rxn:5:196917:226364:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2ccc(N3CCCCC3)nc2)=N1,CTQUQGPWFGKFOI-UHFFFAOYSA-N
-rxn:5:196917:226366:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2ccnc(N3CCCCC3)c2)=N1,IMSKYFPLPKEFTH-UHFFFAOYSA-N
-rxn:5:196917:226395:225987,CC1(C)COC(c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2-c2cncc(N3CCCCC3)c2)=N1,UDABLDDIOBIREQ-UHFFFAOYSA-N
-rxn:5:196918:226794:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2c(-c3cnc(N4CCSCC4)nc3)cccc2N2CCCCC2=O)c1,FWRYVJHFOZOOFC-UHFFFAOYSA-N
-rxn:5:196919:223173:225394,CC1(C)COC(c2ccc(-c3ccc4c(c3)C(O)CS4(=O)=O)cc2-c2cc(C3CCC3)cc(C3CC3)c2)=N1,OPNLZJXAROZHFQ-UHFFFAOYSA-N
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-rxn:5:196919:225638:223173,CC1CCN(c2ccc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)cn2)CC1,VDYXTXKQGHWVEJ-UHFFFAOYSA-N
-rxn:5:196919:225985:226177,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(C3CCCCC3)c2)=N1,WJWQXSNLDBCFGF-UHFFFAOYSA-N
-rxn:5:196919:225986:225655,CC1CCN(c2cncc(-c3cc(-c4ccccc4N4CCCS4(=O)=O)ccc3C3=NC(C)(C)CO3)c2)CC1,SVIJPMZSBXDYQC-UHFFFAOYSA-N
-rxn:5:196919:226177:225986,CC1(C)COC(c2ccc(-c3ccnc(C4CCCCC4)c3)cc2-c2ccccc2N2CCCS2(=O)=O)=N1,UHUDHKFXQYGFHS-UHFFFAOYSA-N
-rxn:5:196919:226364:225987,CC1(C)COC(c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,ZSKACETYBJGDIT-UHFFFAOYSA-N
-rxn:5:196969:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cnccc1C1CCCNC1,KQUFHVOKWHQHLN-UHFFFAOYSA-N
-rxn:5:196971:222998:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)ncc1C1CCCCC1,YDNDBCDMGJLXRV-UHFFFAOYSA-N
-rxn:5:196971:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnccc2C2CCCNC2)ncc1C1CCCCC1,RJPCQRLOXXGRPW-UHFFFAOYSA-N
-rxn:5:196978:225924:225634,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,RCELFFWQERXEEV-UHFFFAOYSA-N
-rxn:5:196979:225655:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cncc(N3CCC(C)CC3)c2)cc(N2CCCCC2)c1,RWBFYCLTLSJNHA-UHFFFAOYSA-N
-rxn:5:197876:226035:227079,COc1ccc(C(F)(F)F)c(F)c1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,TVQAABDUJVMKQX-UHFFFAOYSA-N
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-rxn:5:223000:181904:222986,Cc1cc(-c2c(-c3ccc(C4CCCNC4)c(F)c3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)n1,NLQOVGZGDQMVME-UHFFFAOYSA-N
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-rxn:5:225639:181907:222959,Cc1cc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3CCNCC3)c(C)c2)c(C2OCCO2)c1,FVIPRQQEOVFTEB-UHFFFAOYSA-N
-rxn:5:225672:193807:227574,COc1c(F)ccc(-c2cccc(CN3CCC(C)CC3)c2-c2cc(F)nc(C3CCCCC3)c2)c1OC,VJDUQBGLBHSWPG-UHFFFAOYSA-N
-rxn:5:225832:181626:223058,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2cc(F)nc(C3CCCNC3)c2)c1C1OCCO1,RXHCWUAYXGTSHU-UHFFFAOYSA-N
-rxn:5:225832:196408:226794,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(N3CCSCC3)nc2)ccc1C1=NOCCO1,YFDLVAOCCVTLTQ-UHFFFAOYSA-N
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-rxn:5:227343:178295:228721,COC(=O)c1cc(C)cc(-c2ccc(-c3ccnn3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BKZMLOFBJFMTLH-UHFFFAOYSA-N
-rxn:5:227353:178295:227108,COC(=O)C1(c2cc(-c3cc(C4CCC4)ccc3F)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,UBHLXXUXLIRHFM-UHFFFAOYSA-N
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-rxn:5:227522:178295:228178,COCc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)nc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AKIWIHUWWSZNGR-UHFFFAOYSA-N
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-rxn:5:227562:193866:226907,COc1ccc(F)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc3c2CCC32CC2)c1OC,ZDFVBGKROTTXJQ-UHFFFAOYSA-N
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-rxn:5:228431:178295:227067,COC(=O)C1(c2cc(-c3ccc(OC)cc3C3CC3)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,WFBJFAUTHQOMSQ-UHFFFAOYSA-N
-rxn:5:228437:178295:223285,COC(=O)C1(c2cc(-c3ccccc3NS(C)(=O)=O)ccc2-c2ccc(C(F)F)cc2F)CCC(=O)CC1,RMVXNIQBRKHSGA-UHFFFAOYSA-N
-rxn:5:228505:178295:226062,CCCc1ccc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,SXMBYYKHMSSQTG-UHFFFAOYSA-N
-rxn:5:228516:178295:225499,CCc1cc(C)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZNIGZEYBMSIQTC-UHFFFAOYSA-N
-rxn:5:228547:178295:226772,CCCc1ccncc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,XJXSYECWHQMUFF-UHFFFAOYSA-N
-rxn:5:228553:178295:226140,CCSc1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,CCYYQBKKWHEVAR-UHFFFAOYSA-N
-rxn:5:228575:193972:226366,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1C#N,JFNNRLVXJUASQE-UHFFFAOYSA-N
-rxn:5:228709:193869:225633,Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)cc(C#N)n1,XXUPBBJRNWDSIP-UHFFFAOYSA-N
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-rxn:5:228709:193972:226395,Cc1cc(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc(C#N)n1,BLMAVPOIBCNNQL-UHFFFAOYSA-N
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-rxn:5:228716:193972:226366,Cc1cc(-c2cnc(C#N)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,FBHVDQVSWZGZFN-UHFFFAOYSA-N
-rxn:5:228719:193972:226395,Cc1cc(-c2cc(C#N)ncc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,CTBHDZRSIPJGOA-UHFFFAOYSA-N
-rxn:5:228722:193972:226366,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IGWJDXUAFAVZGF-UHFFFAOYSA-N
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-rxn:5:228763:178295:226580,CCc1c(F)cncc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,NNOCETXDEYIPPZ-UHFFFAOYSA-N
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-rxn:5:228883:193870:225639,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccnc2N2CCC(C)CC2)cc1-c1cc(C#N)cnc1F,BQBZYVQBNUQCFG-UHFFFAOYSA-N
-rxn:5:229058:193972:225666,Cc1cc(-c2cccnc2C#N)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(N2CCCCC2)c1,SKESJEOILPNYRH-UHFFFAOYSA-N
-rxn:5:229065:193972:225636,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,AYECUSGHIKOOFQ-UHFFFAOYSA-N
-rxn:5:229065:193972:225655,Cc1cc(-c2ccnc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,RIBDUBIWHHTAGT-UHFFFAOYSA-N
-rxn:4:173412:223998,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)cc(Cl)c1OCC,VKDMCJHDELXXOY-UHFFFAOYSA-N
-rxn:4:173440:222389,CCCCCCOc1ccc(C)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,CLQBWYYFGYDHHU-UHFFFAOYSA-N
-rxn:4:173580:224175,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(OC)ccc3C(=O)OCC(C)(C)C)c2)cc1,YFFIBHPHJSFVSK-UHFFFAOYSA-N
-rxn:4:173598:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OCC(=O)OC)cc2)CC1,CRLGVVGJDDYMRG-MEMLXQNLSA-N
-rxn:4:173650:225763,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(=O)OC)c(OC)cc3C)c1)C2=O,CAKPMWNKFPQEOH-UHFFFAOYSA-N
-rxn:4:173656:225763,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C(=O)OC)c(OC)cc3C)cc1)C2=O,PIDMFIPIJLWKJZ-UHFFFAOYSA-N
-rxn:4:173704:225469,COc1cccc2c(-c3ccc(N4CCCC(C)C4)cc3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,IFECWDMQBOPZBX-UHFFFAOYSA-N
-rxn:4:173876:223527,CCOC(=O)CCc1cccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,VHYVTSJZBXQHDR-UHFFFAOYSA-N
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-rxn:4:174044:223929,CCOC(=O)C(C)C(=O)c1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1,GUTHYKWBPJTTBB-UHFFFAOYSA-N
-rxn:4:174046:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(CC(=O)OC)cc3OC)cc2)CC1,OQXQNKKYJRYOKB-MEMLXQNLSA-N
-rxn:4:174257:222634,COC(=O)c1ccc(OCC2CCCO2)c(-c2ccc(OCCNC3CCCC3)c(F)c2)c1,LEWOAGQLCWJITC-UHFFFAOYSA-N
-rxn:4:174306:222635,CCOC(=O)CC1CC(c2ccc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cc2)C1,MBPYNNKZVLXFSB-BHWOZTKKSA-N
-rxn:4:174375:224595,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1ccc(N2CCCC(C)C2)cc1OC,XBJIVNYAWYGONC-UHFFFAOYSA-N
-rxn:4:174406:224778,COC(=O)C1(c2ccc(-c3c(F)cc(OC4CCOCC4)cc3F)cc2)CC(OC)(OC)C1,YVEKCTKHTKNFPU-UHFFFAOYSA-N
-rxn:4:174406:225223,COC(=O)C1(c2ccc(-c3cnc(N4CCC(C)CC4)cc3F)cc2)CC(OC)(OC)C1,WGEVUMOWWYAYHY-UHFFFAOYSA-N
-rxn:4:174407:224890,COC(=O)C1(c2cccc(-c3cc(C4CC4)cc(N4CCCC4)c3)c2)CC(OC)(OC)C1,OQJVNBIVGFGYHW-UHFFFAOYSA-N
-rxn:4:174421:224767,O=C(c1cccc(-c2ccc(OC(F)(F)F)cc2OCC2CCCCC2)c1F)N1CCOCC1,DMKNKQUNYHIDIK-UHFFFAOYSA-N
-rxn:4:174432:223583,COC(=O)c1ccc2c(-c3cc(C(=O)OC(C)(C)C)ccc3OC(C)C)cn(C(=O)OC(C)(C)C)c2c1,IQGWLJZIQOJSFJ-UHFFFAOYSA-N
-rxn:4:174432:224329,CC(C)Oc1ccc(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,RTVOACZTRLLXLZ-UHFFFAOYSA-N
-rxn:4:174444:224128,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1,IGAQRBUZJSSJPE-UHFFFAOYSA-N
-rxn:4:174472:222788,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2CO[Si](C)(C)C(C)(C)C)c(F)c1,WCTSDIIZFCBXKS-UHFFFAOYSA-N
-rxn:4:174502:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cc(C(C)(OC)OC)cc(C(C)(C)C)c1OC,QDXFXGDWNRPESV-UHFFFAOYSA-N
-rxn:4:174515:222779,CC(C)[Si](Oc1ccc(-c2ccncc2CNC(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,HRSFKSFMCYTOJL-UHFFFAOYSA-N
-rxn:4:174549:222598,CCC(=O)Oc1cc2c(C(=O)OC)c(C)oc2cc1-c1cc(C)c(S(=O)(=O)NC2CCCC2)c(C)c1,XOBOAHQOXANVEW-UHFFFAOYSA-N
-rxn:4:174563:224915,COC(=O)C12CC(COc3ccc(C)c(-c4ccc(N5CCCCC5C)cc4C)c3)(C1)C2,DVWFRRRNSBXDAO-UHFFFAOYSA-N
-rxn:4:174624:224274,COc1ccc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,FKTYWEZXALFCLM-UHFFFAOYSA-N
-rxn:4:174632:223491,Cc1cccc(Oc2coc3cc(OC(=O)c4cccc(-c5cc(N6CCN(C(=O)OC(C)(C)C)CC6)cc(C(F)(F)F)c5)c4)ccc3c2=O)c1,BJMBRIWKBAOBDC-UHFFFAOYSA-N
-rxn:4:174649:223713,COc1ccc(-c2ccccc2COc2cccc3c2CCCC3)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,IOTWVIGBNCYHFI-UHFFFAOYSA-N
-rxn:4:174656:222906,CC(C)[Si](C#Cc1cccc2cccc(-c3cnccc3NC(=O)OC(C)(C)C)c12)(C(C)C)C(C)C,ILUYGYNMEKUQJR-UHFFFAOYSA-N
-rxn:4:174656:223838,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)c12)(C(C)C)C(C)C,LSPIBKPLTSJYLO-UHFFFAOYSA-N
-rxn:4:174944:225123,COC(=O)c1cc(C(F)(F)F)c(-c2ccncc2OCC2CCCCO2)cc1C(F)(F)F,JPOCNMRWAUMSLU-UHFFFAOYSA-N
-rxn:4:175141:223559,CCCC(=O)Cc1cc(F)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,FYZUMNKXKCUZAY-UHFFFAOYSA-N
-rxn:4:175431:223992,Cc1ccc(-c2ccc(C(C)(F)F)c(OCC3CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,OBYGRVPSLBJFEJ-UHFFFAOYSA-N
-rxn:4:175732:223867,CC1CCN(CCCOc2cccc(-c3cc(F)cc(OCCC4OCCCO4)c3)c2)CC1,MEDSXKNYQRSONB-UHFFFAOYSA-N
-rxn:4:176050:225217,COc1cc(C2OCCCO2)c(-c2cnc(N3CCCC(C)C3)cc2F)c(OC)c1OC,PLUOJKFWXOHKPS-UHFFFAOYSA-N
-rxn:4:176181:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1,FEJCVTOTBIRRHX-UHFFFAOYSA-N
-rxn:4:176196:224244,CCOC(=O)C1=Cc2cc(-c3ccc(Cl)c(C(=O)N4CCC(C)CC4)c3)ccc2OC1C(F)(F)F,KYWVOAHMRFSKGH-UHFFFAOYSA-N
-rxn:4:176239:223536,COc1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C=C1Oc2cc(OC(C)=O)ccc2C1=O,SCHGUQNCDAEGMO-UHFFFAOYSA-N
-rxn:4:176261:224257,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(C(=O)N3CCCCC3C)ccc1Cl)C2=O,FNQLOIVJXDTRGR-UHFFFAOYSA-N
-rxn:4:176562:223559,COC(=O)C(F)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,WAHWZHVPBUMPCG-UHFFFAOYSA-N
-rxn:4:176876:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)OC)c(OC)cc3F)c(F)cc2C)CC1,CATAWXSXYDVXRJ-UHFFFAOYSA-N
-rxn:4:176940:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC(F)(F)F)cc(S(C)(=O)=O)c3)c(F)c2)CC1,WDJWBOKOWXSJQA-IYARVYRRSA-N
-rxn:4:176951:223572,Cc1cc(F)c(OS(=O)(=O)C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12,DJBSPJWGLLSIAL-UHFFFAOYSA-N
-rxn:4:177081:222697,COC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(O)CC3)c2)cc(S(F)(F)(F)(F)F)c1,QACGDJLEKNJXBS-UHFFFAOYSA-N
-rxn:4:177112:223481,COC(=O)C(C)c1cccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c1,FWZGKNXYAYRCKJ-UHFFFAOYSA-N
-rxn:4:177717:223606,Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,DVKMFTWMGJZPAG-UHFFFAOYSA-N
-rxn:4:177733:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(Cl)cc(C(=O)OC(C)(C)C)c1,JRARQRLWUQWVDI-UHFFFAOYSA-N
-rxn:4:178146:223505,Cc1ccc(CC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)cc1,WBPUUQULJHGVII-UHFFFAOYSA-N
-rxn:4:178173:222538,COc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1SC1CCOCC1,BJYFTAHHRFTEAO-UHFFFAOYSA-N
-rxn:4:178175:223583,COC(=O)c1ccc2c(-c3ccc(C4(C(=O)OC)CCCC4)cc3)cn(C(=O)OC(C)(C)C)c2c1,XQEFXSUDECDVRZ-UHFFFAOYSA-N
-rxn:4:178287:223866,Cc1cc(C(=O)OC(C)(C)C)cc(C)c1-c1ccccc1CN1C(C)(C)CCCC1(C)C,GAKLADIIUFINRY-UHFFFAOYSA-N
-rxn:4:178327:223788,COC(=O)C1(c2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc2)CCCCC1,HHTCCJOVDFCSNR-UHFFFAOYSA-N
-rxn:4:178372:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CC2CC(C(C)(C)C)CCC2=O)cc1,LEBKXXHRQZXEBV-UHFFFAOYSA-N
-rxn:4:178381:225109,CC(C)(C)OC(=O)Oc1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,ABUGWIBNTJZZKY-UHFFFAOYSA-N
-rxn:4:178384:223653,COc1cc2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)n(C(=O)OC(C)(C)C)c2cc1Cl,NIIGLBFUAKOVMV-UHFFFAOYSA-N
-rxn:4:178384:225072,CCOC(=O)c1cc2c(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cccc2s1,QCNLZDDTBNCMMH-UHFFFAOYSA-N
-rxn:4:178384:226247,CCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(OCC)c1,SNDYRGRZYRQITJ-UHFFFAOYSA-N
-rxn:4:178384:226432,Fc1nc(C2CCCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,AZGIUTHBNJSIDF-UHFFFAOYSA-N
-rxn:4:178384:227361,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(OC)cc1C,YCQBNSJKWXDVAB-UHFFFAOYSA-N
-rxn:4:178384:227534,CCOc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,TUFNDQQJRNUQPT-UHFFFAOYSA-N
-rxn:4:178384:227840,Cc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1C1CC1,YRHZMKUWIIHKBQ-UHFFFAOYSA-N
-rxn:4:178384:227984,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1C,DGLTZGIQDSGEOH-UHFFFAOYSA-N
-rxn:4:178384:228848,Cc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c1,TVAKYZDOHILAHS-UHFFFAOYSA-N
-rxn:4:178384:229176,Fc1cnc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VFLGZQSUUJRULC-UHFFFAOYSA-N
-rxn:4:178474:222466,CCOC(=O)c1oc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c2c1CCCC2,NCPBMOUAOGUGMY-UHFFFAOYSA-N
-rxn:4:178562:223929,COc1ccc2c(c1)OC(=Cc1cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)ccc1OC)C2=O,NURCSDRQBGOWOW-UHFFFAOYSA-N
-rxn:4:178580:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4oc(=O)c(S(=O)(=O)c5ccc(C(C)C)cc5)cc4c3)c2)CC1,GFSOSYGDTSHYPD-UHFFFAOYSA-N
-rxn:4:178584:223569,COc1cc2c(cc1OC)C(c1ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc1)OC(C)C2,BQMDRLXJWWQWMW-UHFFFAOYSA-N
-rxn:4:178597:225652,CC1CCCN(c2cncc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c2)C1,PJBVBQGGGOSBSW-UHFFFAOYSA-N
-rxn:4:178597:228589,CC(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,JFKXEUTZBUELJC-UHFFFAOYSA-N
-rxn:4:178699:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(F)c(OC(F)(F)F)c3F)cc2)CC1,IDQGCMUSGFWGHN-UHFFFAOYSA-N
-rxn:4:180417:223602,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc(C)c1OC(C)(C)C,UCLOITXOVUUEDA-UHFFFAOYSA-N
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-rxn:4:180815:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)CC1,IPLZMEJQLWSXEG-KQVVAQRHSA-N
-rxn:4:180815:224666,COc1ccc(-c2ccc(F)c(CN3CCN(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,RPDGQEPUYCDWKV-UHFFFAOYSA-N
-rxn:4:180855:222514,COc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1S(=O)(=O)NC1CCCCC1,OBBCYUPZAZUACF-UHFFFAOYSA-N
-rxn:4:181349:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cccc(S(C)(=O)=O)c2F)CC1,UWGFJBGQITVYOF-UHFFFAOYSA-N
-rxn:4:181558:223520,CC(=O)c1c(F)cc(C)cc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,DQZWAEYHLVXOEJ-UHFFFAOYSA-N
-rxn:4:182357:223608,Cc1ccccc1C1CC(=O)c2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)ccc2O1,WKOQCGMRWVCSJL-UHFFFAOYSA-N
-rxn:4:182372:224125,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cc1C2=O,RZGBGUPJVBAMDV-XQESHEEFSA-N
-rxn:4:182374:222809,CC(=O)c1cc2c(cc1-c1cc(Cl)ncc1NC(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,UXAXICPVVOHLPB-UHFFFAOYSA-N
-rxn:4:182374:222815,CC(=O)c1cc2c(cc1-c1ccc(S(=O)(=O)NC(=O)C(C)C)cc1)C(C)(C)CCC2(C)C,AGXSKBMBRJDRFL-UHFFFAOYSA-N
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-rxn:4:182416:227458,CN1CCOc2cc(-c3ccc(C4C5=C(CC(C)(C)CC5=O)OC5=C4C(=O)CC(C)(C)C5)cc3)cnc21,IBQKGNMQUJOTQZ-UHFFFAOYSA-N
-rxn:4:183272:227959,Cc1cnc(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,CRYYELQOJZGSBR-UHFFFAOYSA-N
-rxn:4:183272:228407,COc1ccc(F)c(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,GTPOMMDFWITZPG-UHFFFAOYSA-N
-rxn:4:183273:223509,CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)c3)cc21,MMMALLXXKTYVIS-UHFFFAOYSA-N
-rxn:4:183273:226647,Cc1nnc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)o1,DEAQEGVDQMFHGB-UHFFFAOYSA-N
-rxn:4:183274:226022,COc1cccc(OC(F)(F)F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,KVOZXMUJWWPYJH-UHFFFAOYSA-N
-rxn:4:183274:226036,COc1c(F)cc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NESIUNZJFXGTEA-UHFFFAOYSA-N
-rxn:4:183454:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(OCCCCC#N)c(F)c3)c2)CC1,YDGKOKBWVGDIEM-UHFFFAOYSA-N
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-rxn:4:183750:224573,CC1CCCCN1c1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCOCC2)c(C#N)c1,BPURZJOPJVYKBQ-UHFFFAOYSA-N
-rxn:4:183769:226249,CCCCOc1cc(Cl)cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCCC2)c1,PYRDWCBYRUJCCQ-UHFFFAOYSA-N
-rxn:4:183787:224953,CCN(Cc1cc(-c2ccc(OCC3CCCCC3)nc2)ccc1Cl)C(=O)OC(C)(C)C,PZOYSHIPFICJBX-UHFFFAOYSA-N
-rxn:4:183799:224977,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2ccc(N3CCCCC3)c(C#N)c2)c1,IXOOFOVRJJXQDH-UHFFFAOYSA-N
-rxn:4:183824:224649,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(F)ccc2OCC2CCCCO2)cc1Cl)C1CC1,FLNCEBGOPSDGDN-UHFFFAOYSA-N
-rxn:4:183875:223122,CC(C)C(=O)Nc1cccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,AKDQGAYZQNKJOZ-UHFFFAOYSA-N
-rxn:4:183892:225269,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C(=O)OC)cc2C(=O)OC)c1,XYAZXHOUPMZZBT-UHFFFAOYSA-N
-rxn:4:183912:225542,CCCCCc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(C)CC2)c(F)c1F,FMDBGPHDYIDJQF-UHFFFAOYSA-N
-rxn:4:183943:226567,COC(=O)C(=O)c1ccc(-c2ccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1,HCQVMNNSKACNRQ-UHFFFAOYSA-N
-rxn:4:184016:226101,CCN(CC)c1ccc(-c2ccccc2COC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,OMGKVGLJRMDHDE-UHFFFAOYSA-N
-rxn:4:184070:224747,COC(=O)C1(c2ccc(-c3cnc(-c4ccc(OC)cc4)nc3Cl)cc2C)CCN(C(=O)OC(C)(C)C)C1,SVCUIKCYWONHKI-UHFFFAOYSA-N
-rxn:4:184087:224471,CCOC(=O)c1cccc2c(-c3ccc(CN(C(=O)C4=C(c5ccccc5)SCCO4)C4CCS(=O)(=O)C4)o3)cccc12,YWDCEEPPNHUTLD-UHFFFAOYSA-N
-rxn:4:184090:223279,COC(=O)c1cc(-c2cnc(C3CCCN3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,JWECLTTUMNZQMQ-UHFFFAOYSA-N
-rxn:4:184125:223872,CCN(C(=O)c1cccc(-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(C(F)(F)F)c2)c1)C1CCCCC1,QZLHLSUACDZEOP-UHFFFAOYSA-N
-rxn:4:184217:222582,COc1cccc(CN(C(=O)c2oc3ccc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cc3c2C)C2CCS(=O)(=O)C2)c1,YHCZFAXENMERNZ-UHFFFAOYSA-N
-rxn:4:184222:224684,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(C(=O)N3CCC(=O)CC3)cc2)c2ccccc12)C1CCCCC1,GFCGOUFMXWUDII-UHFFFAOYSA-N
-rxn:4:184247:224126,CCN1CCN(C(C)c2cccc(-c3ccc(C4c5c(oc6cc(C)c(C)cc6c5=O)C(=O)N4CCCOC(C)C)cc3)c2)CC1,TTXGSAWLTTUMQD-UHFFFAOYSA-N
-rxn:4:184254:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3OCCCC#N)cc2)CC1,CKQFNXGVZRVPDZ-UHFFFAOYSA-N
-rxn:4:184310:223022,COCCNC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2OC(C(F)(F)F)C(F)(F)F)cc1,DCNKUJGWXJLVDF-UHFFFAOYSA-N
-rxn:4:184339:223845,CCOC(=O)Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)ccc1C#N,WYOPCFZFBSIVKJ-UHFFFAOYSA-N
-rxn:4:184384:224324,COC(=O)Cc1cc(C(F)F)c(C#N)cc1-c1ccc(F)c(C(=O)N2CCC(=O)CC2)c1,NWKNPNGMEGSGMZ-UHFFFAOYSA-N
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-rxn:4:184506:223712,CCCc1nc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)sc1C(=O)OCC,ALFBEMSGHYXDRX-UHFFFAOYSA-N
-rxn:4:184732:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCC2)c(OCC(F)F)c1,ZTSRAEGLZZFDFP-UHFFFAOYSA-N
-rxn:4:184735:222584,O=C(c1cccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CC(OCC(F)(F)F)C1,CCGWODJJDLVULT-UHFFFAOYSA-N
-rxn:4:184771:223579,CCN(CC)C(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)ccc1C(F)(F)F,KCAKSLLRDUWICM-UHFFFAOYSA-N
-rxn:4:184863:223712,CCCN(Cc1cc(F)cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1)C1CC1,DJUBCMCAFJFSEL-UHFFFAOYSA-N
-rxn:4:184914:224587,COC(=O)C1CN(Cc2cc(-c3ccc(CN4CCC(C)CC4)c(F)c3)ccc2OC)C1,WNWWXOLSBOEOTO-UHFFFAOYSA-N
-rxn:4:185056:224612,Fc1cccc(-c2ccc(OCCN3CCOCC3)cc2)c1OCCCN1CCC(F)(F)CC1,JBLLNCRAOUPSTD-UHFFFAOYSA-N
-rxn:4:185067:226560,CCOc1cc(F)c(-c2cccc(CN3CCC(F)(F)CC3)c2OCC(F)(F)F)cc1OC,WNNNLFHMUUDNPO-UHFFFAOYSA-N
-rxn:4:185071:224768,COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-c4cc(F)c(C(=O)N5CCCC5)c(F)c4)o3)C2)cc1,HMMDZJHJYGLYEI-UHFFFAOYSA-N
-rxn:4:185134:222614,COC(=O)C1CCN(CCc2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)cc2)CC1,GMAWCJHBCMOJPC-UHFFFAOYSA-N
-rxn:4:185138:223787,COC(=O)C1CCN(CCc2cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)ccc2F)CC1,UVKGGJZWVIMEHW-UHFFFAOYSA-N
-rxn:4:185139:226686,COC(=O)C1CCN(CCc2ccc(F)c(-c3c(C)cnn3C3CCCCO3)c2)CC1,HLPDMPIXWPOHGH-UHFFFAOYSA-N
-rxn:4:185231:223696,O=C(OCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1N1CCC(F)(F)C1,RIOHLXDLLRPHNT-UHFFFAOYSA-N
-rxn:4:185241:225165,COc1cc(-c2cccc(CN3CCCCC3)c2OCC2CC2)ccc1N1CCOCC1,BSHQCMNATLCULD-UHFFFAOYSA-N
-rxn:4:185247:222846,COc1cc(-c2cc(C3CCCNC3)ccc2C#N)cc(OC)c1CN1CCC(C(F)(F)F)CC1,CGEVOOVZNOATNR-UHFFFAOYSA-N
-rxn:4:185308:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,SUGAXGXWZRDMHK-UHFFFAOYSA-N
-rxn:4:185340:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccc(OCc2ccccc2)c(C(=O)N2CCC(F)(F)CC2)c1,GQZPIQHQCROCPE-UHFFFAOYSA-N
-rxn:4:185348:223094,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1ccc([N+](=O)[O-])c(NC(C)=O)c1,NRBYOHCETAUESY-UHFFFAOYSA-N
-rxn:4:185377:223956,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccc(N(Cc4ccccc4)[SH](=O)=O)cc3)cc2)CC1,GIERXCWMGVDXQN-UHFFFAOYSA-N
-rxn:4:185390:224934,Cc1ccccc1C(=O)N(Cc1cccc(-c2cccc(OCCN3CCCC3)c2)c1)C1CCS(=O)(=O)C1,FHRGYVHTJQKUEC-UHFFFAOYSA-N
-rxn:4:185412:227059,COc1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)cc1C(C)C,GAVSIPXMTMQKAY-UHFFFAOYSA-N
-rxn:4:185535:226137,COC(=O)[C@@H]1Cc2ccc(-c3cc(C4CC4)cnc3C(C)C)cc2CN1C(=O)OC(C)(C)C,HORZRQQCRZLCAQ-QHCPKHFHSA-N
-rxn:4:185535:226176,COC(=O)[C@@H]1Cc2ccc(-c3ccncc3C3CCCCC3)cc2CN1C(=O)OC(C)(C)C,JNVXEAVXPWMCIK-DEOSSOPVSA-N
-rxn:4:185540:225738,CCCCOc1cc(F)c(-c2ccc(OC)c(C=C3Oc4cc(OC(=O)N(C)C)ccc4C3=O)c2)cc1F,DNNJGAHGTPCZIH-UHFFFAOYSA-N
-rxn:4:185570:225107,CCN(CC)C(=O)c1cccc(-c2ccc(CN(C(=O)c3oc4ccccc4c3C)C3CCS(=O)(=O)C3)o2)c1F,YCKFXBARXGJEKM-UHFFFAOYSA-N
-rxn:4:185574:224586,COc1cc(CN2CCc3c(cccc3-c3cc(F)ccc3CN3CCC(C)CC3)C2)cc(OC)c1OC,CDQDQEFEQTVTMQ-UHFFFAOYSA-N
-rxn:4:185591:225760,CCN(C)C(=O)c1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCCN3Cc2ccc(OC)cc2)c(F)c1,BTYLYRRITTYSRY-UHFFFAOYSA-N
-rxn:4:185822:222466,COC(=O)Cc1cc(F)c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1C#N,NTCOALYSXVVQAO-UHFFFAOYSA-N
-rxn:4:186027:222521,COC(=O)c1c(F)cc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1C[N+](=O)[O-],SHOPYKFALOYNMP-UHFFFAOYSA-N
-rxn:4:186133:225234,Cc1cc([N+](=O)[O-])cc(-c2ccc(N3CCCCC3)c(F)c2F)c1OS(=O)(=O)C(F)(F)F,YCXWAZALOYHLFN-UHFFFAOYSA-N
-rxn:4:186426:223697,N#Cc1c(-c2ccccc2OC(F)(F)F)cccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,CMQBSMVLNALUBZ-UHFFFAOYSA-N
-rxn:4:186463:222607,CN(C[C@H]1CO1)S(=O)(=O)c1ccccc1-c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1,FDYAHLVYURAXPM-FQEVSTJZSA-N
-rxn:4:186476:223582,COC(=O)c1cc(C(=O)N(C)C)cc(-c2cc3ccc(C(=O)OC)cc3n2C(=O)OC(C)(C)C)c1,KMJNRXDISSHJCG-UHFFFAOYSA-N
-rxn:4:186541:223658,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cccc1C(F)(F)F,FRNCQBXIPSYEIX-UHFFFAOYSA-N
-rxn:4:186556:223608,CCN(CC)Cc1cc(Cl)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c1,LDRCWSXAGYVANH-UHFFFAOYSA-N
-rxn:4:186659:222648,COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(NC(=O)OC(C)(C)C)c(C)cc1C,XXEXKQIDLHGKSU-UHFFFAOYSA-N
-rxn:4:186681:222545,COC(=O)C(=CN(C)C)c1cccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1,ZTZXPWVIOPETIY-UHFFFAOYSA-N
-rxn:4:186708:224063,CC1CCCN(c2cc(-c3ccc(Cl)c(OCC(=O)N4CCCC4)c3)cc(C3CC3)c2)C1,KYTMPCWHQCUFIQ-UHFFFAOYSA-N
-rxn:4:186819:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)c(OC(F)(F)F)c3)cc2)CC1,WNNANWCQACYZJF-UHFFFAOYSA-N
-rxn:4:186879:224484,CC(C)N(C(=O)c1ccccc1-c1cc(OCC2CCOCC2)cc([N+](=O)[O-])c1)C(C)C,BFWANWMVORFTFT-UHFFFAOYSA-N
-rxn:4:186939:223491,Cc1ccc(OCC(=O)N2CCCC2)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1,JOORILZHASWSKL-UHFFFAOYSA-N
-rxn:4:187124:224258,CCOc1ccc(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)cc1S(=O)(=O)N1CCOCC1,HPIIEQWVFAKNGP-UHFFFAOYSA-N
-rxn:4:187148:223074,O=C(Cc1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)c(F)c1)N1CCCC(C(F)(F)F)C1,JQUPPNVAUQTSEN-UHFFFAOYSA-N
-rxn:4:187187:222776,COC(=O)c1cc(-c2ccc(CN3CCC(O)CC3)cc2F)ccc1CN1CCCCC1,UJXJBHCDQKWIIM-UHFFFAOYSA-N
-rxn:4:187191:224685,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)cc1,FWLJPRNCGBOHRN-UHFFFAOYSA-N
-rxn:4:187246:224683,COC(=O)c1cc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)ccc1CN1CCCC(F)(F)C1,SXMLHGRRPKZSPQ-UHFFFAOYSA-N
-rxn:4:187250:225746,COC(=O)c1ccc(-c2cccnc2C(=O)OC(C)(C)C)c(CN2CCCC(F)(F)C2)c1,BZYCKQYGIVEGLT-UHFFFAOYSA-N
-rxn:4:187291:223813,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c(CN(C)C2CCCC2)c1,CYIHUZLCTPRKHJ-UHFFFAOYSA-N
-rxn:4:187307:222604,COc1ccc(-c2cc([N+](=O)[O-])c(C)cc2OCC2CCCCC2)cc1S(=O)(=O)NC1CCCC1,BYNVCVGEIBAGCL-UHFFFAOYSA-N
-rxn:4:187319:224197,CCN1CCN(Cc2ccc(-c3cccc(OC(C)C)c3CN3CCC(F)(F)C3)cc2F)CC1,BYOLNTOQXWZUQM-UHFFFAOYSA-N
-rxn:4:187409:222429,CC1CCCC(C)N1C(=O)COc1ccc(-c2ccc(CNC(=O)c3ccc(F)cc3C(F)(F)F)cc2)cc1,NAEPABMMYHKJHP-UHFFFAOYSA-N
-rxn:4:187423:225101,CCN(CC)C(=O)c1cc(-c2ccc(C(=O)OC)c(CN3CCCCC3C)c2)ccc1Cl,DKEDXRSQWZBXAK-UHFFFAOYSA-N
-rxn:4:187488:224378,CCOc1ccc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCC(C)CC1,NPYNPBZXQYSELK-UHFFFAOYSA-N
-rxn:4:187573:225232,CC1CCN(c2cc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)CC1,PTDZGKGQFRUTHR-UHFFFAOYSA-N
-rxn:4:187582:223057,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3cc(Cl)nc(C4CCCNC4)c3)c2)CC1,YQAKJEBYGLUSSG-UHFFFAOYSA-N
-rxn:4:187626:226725,CCOc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,NMYTUKGCTKWGJZ-UHFFFAOYSA-N
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-rxn:4:193254:223831,COc1ccc(-c2ccc(F)c(CN3CCC(F)(F)C3)c2)cc1S(=O)(=O)N1CCC(C)CC1,FUXZIKBFQPYTQO-UHFFFAOYSA-N
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-rxn:4:200840:225688,COC(=O)C1CCCN(Cc2ccc(-c3cnc(C4CCCCC4)c(Cl)c3)cc2N2CCCC2)C1,OFFQQJYUEZSFCE-UHFFFAOYSA-N
-rxn:4:200840:226429,COC(=O)C1CCCN(Cc2ccc(-c3ccc(N4CCCC(C)C4)s3)cc2N2CCCC2)C1,ZDQNTKPAAMHPLT-UHFFFAOYSA-N
-rxn:4:200840:227491,COC(=O)C1CCCN(Cc2ccc(-c3cnc(OC4CCC4)nc3)cc2N2CCCC2)C1,CLBIPLOCKZGEJI-UHFFFAOYSA-N
-rxn:4:200840:228438,COC(=O)C1CCCN(Cc2ccc(-c3cc(F)c(Cl)c(OC)c3)cc2N2CCCC2)C1,ZOKPOGSNTIMXJB-UHFFFAOYSA-N
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-rxn:4:200853:225765,COC(=O)C1CCN(Cc2ccc(-c3ccc(F)c(OCC(C)C)c3F)cc2N2CCOCC2)CC1,QOSKVFOZZULLBW-UHFFFAOYSA-N
-rxn:4:200853:228201,COC(=O)C1CCN(Cc2ccc(-c3cnc(C4CCC4)nc3)cc2N2CCOCC2)CC1,NPKTXMTVBDWJGF-UHFFFAOYSA-N
-rxn:4:200854:227625,COC(=O)C1CCCN(Cc2ccc(-c3cnc(C4CCCO4)nc3)cc2N2CCOCC2)C1,SZEFKBWSDLBLRQ-UHFFFAOYSA-N
-rxn:4:200854:228256,COC(=O)C1CCCN(Cc2ccc(-c3cc(C)c(F)c(OC)c3)cc2N2CCOCC2)C1,FFODPHPWRHIKIB-UHFFFAOYSA-N
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-rxn:4:200877:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4C(=S)C(c5cc(OC)cc(OC)c5)=NC45CCCC5)cc3)cc2)CC1,QTHBNRFMVMTPIA-UHFFFAOYSA-N
-rxn:4:200884:229012,CC(C)c1ccsc1-c1ccc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1,BVCAPYYGIWMNQQ-UHFFFAOYSA-N
-rxn:4:200885:228187,COCc1ccc(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCCCC3)c2)c(Cl)c1,URVOLTBKEZLIFS-UHFFFAOYSA-N
-rxn:4:200885:228878,COC(=O)C1CCN(Cc2ccc(-c3cnn(C4COC4)c3)cc2N2CCCCC2)CC1,PTBGVQZWUGLGDB-UHFFFAOYSA-N
-rxn:4:201058:225800,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(-c2ccc(C(=O)N3CCSC3)cc2)c1,QOZIHIHTVQFCFA-UHFFFAOYSA-N
-rxn:4:201068:222675,COc1cc(-c2ccccc2CCC(=O)N2CC(N3CCc4sccc4C3)C2)ccc1NC(=O)OC(C)(C)C,OZLBYHIVGAJQON-UHFFFAOYSA-N
-rxn:4:201097:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)CN(C(=O)C3CCN(C(=O)OC(C)(C)C)C3)C4)cc2)CC1,ALSJJJVEADMCMQ-UHFFFAOYSA-N
-rxn:4:201097:224393,CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3C2)C1,ZFHSUIFSFSAXIH-UHFFFAOYSA-N
-rxn:4:201135:224404,COc1cc(C)c(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc12,ZTDAJGVZPCLMFL-UHFFFAOYSA-N
-rxn:4:201142:222639,CCc1cc2cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cnc2n1[Si](C(C)C)(C(C)C)C(C)C,XSMMUNJJYMZTPF-QHCPKHFHSA-N
-rxn:4:201155:223686,COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)cc1)CCCC3,IGJDSCKDRGCHPI-UHFFFAOYSA-N
-rxn:4:201171:224938,O=C(N1CCN=C1SCc1ccc(-c2cccc(COCc3cccs3)c2)cc1)C12CC3CC(CC(C3)C1)C2,DFSBMTUQZPMLIK-UHFFFAOYSA-N
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-rxn:4:201192:224279,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)ccc2OC3c2ccc(C(C)C)cc2)cc1,KWGYCZPCQXGFQW-UHFFFAOYSA-N
-rxn:4:201224:223712,COC(=O)c1nn(CC(F)F)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,HKIOJDHTSSWPPL-UHFFFAOYSA-N
-rxn:4:201305:223598,COC(=O)CCn1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1C,ULJOAJXVRPAUQZ-UHFFFAOYSA-N
-rxn:4:201391:223534,CC(C)(C)OC(=O)Cn1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)n1,HLYCYDLJBQVVEH-UHFFFAOYSA-N
-rxn:4:201622:222747,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C(=O)NCC3CCCO3)cc2)cc1,QTEIGUBVZKZSCC-UHFFFAOYSA-N
-rxn:4:201683:222639,CC(C)c1nc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cn1C(=O)OC(C)(C)C,IWKNBJOUVOJAEN-INIZCTEOSA-N
-rxn:4:201733:222628,COC(=O)c1cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)nn1CC1CCCCC1,CAYXAMKCZDLKCE-UHFFFAOYSA-N
-rxn:4:201798:223093,Cc1cc(-c2cncc(NS(=O)(=O)C(C)C)c2)ccc1N1CCCC(C(=O)CC#N)C1=O,MZGJQJXXDFYXQA-UHFFFAOYSA-N
-rxn:4:201840:225178,O=C(C1CC1)N1CCC(Oc2ncccc2-c2ccc(CN3CCOCC3)cc2F)CC1,PDOTVKXKWBZTIU-UHFFFAOYSA-N
-rxn:4:201945:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cncc([C@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1,QPXJPTMEHPCYOK-OAQYLSRUSA-N
-rxn:4:201946:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)nc2)c1,IOUNHTMAMBYSJF-UHFFFAOYSA-N
-rxn:4:201992:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cc1,IOBIGOSDXOHYTQ-UHFFFAOYSA-N
-rxn:4:201993:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1cccc(C2CN(C(=O)OC(C)(C)C)CCO2)n1,NYDKXDPDJPUFDL-UHFFFAOYSA-N
-rxn:4:201996:223041,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cc(C(=O)NC4CC4)ccc3F)c2)C1,DWYAWDNWQPDHJM-UHFFFAOYSA-N
-rxn:4:202007:222988,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C)nc(C2CCNCC2)c1,KITZVNCTTGGGDA-UHFFFAOYSA-N
-rxn:4:202007:225212,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(F)cc(N2CCN(C)CC2)c1,KXCSVBKARHRMLK-UHFFFAOYSA-N
-rxn:4:202007:225517,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cccc(OCCCN(C)C)c1,VJCUEMYKNCHTBF-UHFFFAOYSA-N
-rxn:4:202008:225827,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccnc(N2CCN(C)CC2)c1,IQWLYQRGMYOBHR-UHFFFAOYSA-N
-rxn:4:202018:224372,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1,NLJYLOIZVCNPAT-UHFFFAOYSA-N
-rxn:4:202066:224018,CC(C)N1CCN(C(=O)Cc2ccc(Cl)c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)c2)CC1,NHPVVQLOBNCNPC-UHFFFAOYSA-N
-rxn:4:202073:225163,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccccc2C(=O)N2CCOCC2)C(=O)C1,HIKKKFDJYNZCQP-UHFFFAOYSA-N
-rxn:4:202075:225515,CC1(C)COc2cccc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)C4=O)nc3)c2OC1,JAGCMLGDRFQBTC-UHFFFAOYSA-N
-rxn:4:202078:224669,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(CN5CCN(C)CC5)cc4F)o3)C2)cc(=O)n1C,ZSCMXUARTWMESZ-UHFFFAOYSA-N
-rxn:4:202141:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3CN3CCN(C(C)C)CC3)c2)CC1,JAIUZEVBEGMNGE-UHFFFAOYSA-N
-rxn:4:202166:225384,O=[N+]([O-])c1cc(-c2cccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)c2)ccc1OC(F)(F)F,XGJRELKPKJAICO-UHFFFAOYSA-N
-rxn:4:202224:225010,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(F)c(CN3CCCCC3)c2)nc1,WOVUJJMKNJMMHG-UHFFFAOYSA-N
-rxn:4:202230:224309,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c2F)c1,YZVLBMVVEXIVLC-UHFFFAOYSA-N
-rxn:4:202266:227657,O=C(C1CN(Cc2ccc(-c3ccc(N4CCOCC4)s3)cc2)CCO1)N1CCCCC1,FIOSGDUHOAHCEE-UHFFFAOYSA-N
-rxn:4:202267:225355,COC(=O)c1ccc(-c2cccc(CN3CCOC(C(=O)N4CCCCC4)C3)c2)c(C(F)(F)F)c1,FBBLEWIHMNRDGA-UHFFFAOYSA-N
-rxn:4:202284:226285,COc1ccc(-c2cc(OCC(C)C)ccc2Cl)cc1CN1CCC(N2CCCC2)CC1,IGEIDXGHQCRXEJ-UHFFFAOYSA-N
-rxn:4:202284:226447,COc1ccc(-c2ccnc(C3CCOCC3)c2)cc1CN1CCC(N2CCCC2)CC1,LPWUMNPMPYQXQK-UHFFFAOYSA-N
-rxn:4:202285:226551,CCOc1cc(-c2ccc(CN3CCC(OC)CC3)c(N3CCCC3)c2)cc(Cl)c1OC,HPRQCNQRFVNSPB-UHFFFAOYSA-N
-rxn:4:202289:222949,COc1ccc(-c2cc3[nH]ncc3cc2OC(F)(F)F)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,KWEZYSXCBQUJBC-UHFFFAOYSA-N
-rxn:4:202293:223743,Cc1ccc(-c2ccc(C3CC(C(C)(C)C)=NN3S(=O)(=O)c3ccccc3)cc2)cc1OCCCN1CCC(C)CC1,CRGRPWFYDZEHIS-UHFFFAOYSA-N
-rxn:4:202293:224766,CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)C(c2ccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)cc2)C1,CZTMYFZNJPSAPJ-UHFFFAOYSA-N
-rxn:4:202300:224976,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)cc1-c1cccc(N2CCCCC2)c1C#N,MYNKVXYMZRLRQT-UHFFFAOYSA-N
-rxn:4:202307:227458,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3cnc4c(c3)OCCN4C)cc2C(C)C)CC1,YCWMWFIDQRDNDT-UHFFFAOYSA-N
-rxn:4:202331:225877,COc1ccc(-c2ccc(Cl)cc2N2CCOCC2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,ZSDGCSWAQIZMPK-UHFFFAOYSA-N
-rxn:4:202333:222805,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(F)c(F)c(N2CCC(O)CC2)c1,YZUFQNGAVGHTKU-UHFFFAOYSA-N
-rxn:4:202337:224968,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cc(C)ccc4OCC4CCCO4)o2)CC3)cc1,MFEZGJKEAOPUCO-UHFFFAOYSA-N
-rxn:4:202446:224361,CCN(CC)S(=O)(=O)c1cc(-c2cc(C)cc3c(=O)n(CC(=O)OC)c(C(F)(F)F)nc23)ccc1OC,SGLJPDFYIDLPTO-UHFFFAOYSA-N
-rxn:4:202492:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4ncn(CC(=O)OC(C)(C)C)c(=O)c4c3)c(F)ncc21,ISKDXPFUVKMPMI-UHFFFAOYSA-N
-rxn:4:202599:225353,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4ccc(C(=O)OC)c(C(F)(F)F)c4)c3)N2C1=O,XSVAZKAFQDJIRQ-UHFFFAOYSA-N
-rxn:4:202648:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1,KGGPHCHYORVKOT-UHFFFAOYSA-N
-rxn:4:202654:225557,COC(=O)C1(c2ccc(-c3ccc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)cc2)CC1,UFQFMTLGCPABCV-UHFFFAOYSA-N
-rxn:4:202655:224967,COC(=O)c1cc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc(C(C)(C)C)c1,AJXKVVPCVAQOLU-UHFFFAOYSA-N
-rxn:4:202673:222826,O=C(c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1)N1CCCC1,VCZAPTHEJCLIIQ-UHFFFAOYSA-N
-rxn:4:202676:222636,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc21,YXFUUCDVTKKBSS-JOCHJYFZSA-N
-rxn:4:202676:223889,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc21,DBSIAEJJMOGUQY-UHFFFAOYSA-N
-rxn:4:202677:223889,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)ccnc21,BVOWWYNWAVYULU-UHFFFAOYSA-N
-rxn:4:202807:222584,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,DTRAZDGRNYJKDY-UHFFFAOYSA-N
-rxn:4:202807:223144,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCC(O)C3)cc2)cc1,VJIXDVDNBMJBKE-UHFFFAOYSA-N
-rxn:4:202813:225172,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc(CN5CCOCC5)ccc4F)ccc2OC3c2ccccc2Cl)cc1,BTNREVSMGHLUIM-UHFFFAOYSA-N
-rxn:4:203510:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN2CCC(C#N)CC2)o1,QIDLSRCIOKXFOC-UHFFFAOYSA-N
-rxn:4:203531:223920,CSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)cc1,JPEBLECTQCGDIS-UHFFFAOYSA-N
-rxn:4:203586:223712,COC(=O)c1nc(N2CCCC2)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,SKIBQACQNFNBPW-UHFFFAOYSA-N
-rxn:4:203639:222542,Cc1ccc(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1OCCCN1CCNCC1,XUUYFIWYAMEXQN-UHFFFAOYSA-N
-rxn:4:203639:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)CC1,QILSPYXHPCPUPI-UHFFFAOYSA-N
-rxn:4:203708:225827,CN1CCN(c2cc(-c3ccccc3C(=O)N3CC(N4C(=O)COC4=O)C3)ccn2)CC1,YZRIPZGOFLXRDL-UHFFFAOYSA-N
-rxn:4:203712:223834,Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,YPGHTCNUWJNCGN-UHFFFAOYSA-N
-rxn:4:203712:224975,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)cc2)CC1,NSILTPKHVBJYQB-UHFFFAOYSA-N
-rxn:4:203757:222845,CC(c1ccc(-c2cncc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1)N1CCNCC1,ROZTWSDNXUNULP-UHFFFAOYSA-N
-rxn:4:203759:225295,O=[N+]([O-])c1cc(F)c(-c2ccccc2S(=O)(=O)N2CCCC2)cc1N1CCCC(C(F)(F)F)C1,OWAXQRCHANSMGO-UHFFFAOYSA-N
-rxn:4:203759:225743,COC(=O)Cc1ccc(OC)c(-c2cc(N3CCCC(C(F)(F)F)C3)c([N+](=O)[O-])cc2F)c1,AXSLTPOHJPBHGH-UHFFFAOYSA-N
-rxn:4:203766:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C=C4N=C(c5ccc([N+](=O)[O-])cc5)OC4=O)cc3)cc2)CC1,QLPJLPMPVAAMPS-HCGLCNNCSA-N
-rxn:4:203825:225307,CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4COC4)c(C(F)(F)F)c3)cc2)CC1,IHIFJRJNGIXONR-UHFFFAOYSA-N
-rxn:4:203833:225334,O=C(c1ccc(-c2ccc(F)cc2COCC(F)(F)F)o1)N1CCC(N2C(=O)CSC2=O)CC1,WYYLCCSJWFOJNC-UHFFFAOYSA-N
-rxn:4:203863:224318,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cc2Cl)CC1,QZQVNOIYZKDZIS-UHFFFAOYSA-N
-rxn:4:203877:222389,CC1CCCN(Cc2cc([N+](=O)[O-])ccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)C1,XMZPBQUREHLQJD-UHFFFAOYSA-N
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-rxn:4:203894:222694,CN1CCN(S(=O)(=O)Cc2cccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)c2)CC1,AXAORRKZUAKLPO-UHFFFAOYSA-N
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-rxn:4:207068:222465,CN1CCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2C2CC2)CC1,SZVOEZYBNUFVSF-UHFFFAOYSA-N
-rxn:4:207080:225425,CCCCCOc1ccc(C)cc1-c1cncc(C(=O)N2CCC3(CC2)OCCCO3)c1,HOJIAHKNQUIOSF-UHFFFAOYSA-N
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-rxn:4:207085:224975,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)cc2)CC1,PMDYRSFWWKWIPK-UHFFFAOYSA-N
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-rxn:4:207720:222612,O=C(c1cc2cc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)ccc2[nH]1)N1CCC(F)CC1,RZSYCQOLNHPUEW-UHFFFAOYSA-N
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-rxn:4:207796:222442,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)ccc3oc2=O)CC1,YTBURNNYSMHMKR-UHFFFAOYSA-N
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-rxn:4:207959:225653,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCCC5C)nc4)ccc2OC3C2CCCCC2)cc1,MUIPMHNOHQRILM-UHFFFAOYSA-N
-rxn:4:207965:226060,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CC5)cc(C5CC5)c4)ccc2OC32CCC(C)CC2)cc1,JIEJVFWGEDYTNY-UHFFFAOYSA-N
-rxn:4:209245:223521,CC(c1cccc(-c2cncc(N3CCSC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,RPZINNQWAHLRBI-UHFFFAOYSA-N
-rxn:4:209525:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C4COCCC4=O)n3)ccc2OC)CC1,RBRAWUVMJJRNPN-UHFFFAOYSA-N
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-rxn:4:209883:223542,Cc1cc(N2CCC(C)CC2)ncc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,LRXYMZLMOJYBTE-UHFFFAOYSA-N
-rxn:4:209889:223845,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cnc1N1CCC(C)CC1,RIMKMNAAOMZIKQ-UHFFFAOYSA-N
-rxn:4:210592:223670,CC(=O)N1CCOc2cc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cnc21,MQMYMXXGKVGGDF-UHFFFAOYSA-N
-rxn:4:212532:225175,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3ccc(F)c(CN4CCOCC4)c3)cn2)C1,HFMCJGXZKAANOR-UHFFFAOYSA-N
-rxn:4:212538:222897,CCCCNS(=O)(=O)c1cccc(-c2cn(C)nc2CN(CC)C(=O)OC(C)(C)C)c1,ZSFYMCOUHBVJQO-UHFFFAOYSA-N
-rxn:4:212557:224820,O=C(c1ccccc1[N+](=O)[O-])N1CCN=C1SCc1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,DLSLFROIYCTLRF-UHFFFAOYSA-N
-rxn:4:212586:223939,COc1cccc(C(=O)N2CC(Cn3cc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cn3)C2)c1OC,IKRCJVXFQPGDGD-UHFFFAOYSA-N
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-rxn:4:212620:222776,O=C(Cc1ccc(F)cc1-c1ccc(CN2CCC(O)CC2)cc1F)N1CCC(COc2ncccn2)CC1,LXYPSHGDHRTULN-UHFFFAOYSA-N
-rxn:4:212627:222456,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)c5ccc(C(F)(F)F)cc5)c4)cc3)C2)c1,RHVVCTPOTIRFLE-UHFFFAOYSA-N
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-rxn:4:212650:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCCN(C(=O)CC(C)(C)C)C2)nc1,WUVHLMIFNJZESJ-UHFFFAOYSA-N
-rxn:4:212693:226079,CC(C)c1ccc2sc(-c3cncc(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4C)c3)cc2c1,KFXSNYZQPLSDSD-UHFFFAOYSA-N
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-rxn:4:212736:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,CBXYFFOXOIOWSS-UHFFFAOYSA-N
-rxn:4:212748:224495,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(N(C)Cc4ccccc4)nc3)c2)CCN1C(=O)OC(C)(C)C,QJFYZVOMJBUUJW-UHFFFAOYSA-N
-rxn:4:212771:225984,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2s1,NXPSQAVMSITKBJ-UHFFFAOYSA-N
-rxn:4:212801:223596,CCOC(=O)Cn1c(C2CC(=O)N(c3ccccc3-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)nc2ccccc21,AFMNDTNSWMTSBK-UHFFFAOYSA-N
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-rxn:4:212839:229080,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CC5)s4)ccn23)CC1,HHBHPLHDSFQTNL-UHFFFAOYSA-N
-rxn:4:212887:222743,COC(=O)CN1CCC(Cn2cc(-c3ccc(C(C)N4CCC(O)CC4)cc3)cn2)C1,FMEMJMPDDWLYGQ-UHFFFAOYSA-N
-rxn:4:212917:224657,COC(=O)CN1CCC(Cn2cc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3F)cn2)CC1,LLKIJSUWBPAOBZ-UHFFFAOYSA-N
-rxn:4:212944:224462,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(C3CCN(C4CC4)CC3)cc2)CC1,UXIJTANDLYFZOH-UHFFFAOYSA-N
-rxn:4:212988:223790,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)n2)CC1,ZYTRJPQCSIYSLB-UHFFFAOYSA-N
-rxn:4:212988:227222,CCN(CC)c1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cn1,HLAYNQHBZUKXQW-UHFFFAOYSA-N
-rxn:4:213028:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(Cl)c(C(=O)N3CCC(Oc4ncccc4C#N)CC3)c2)CC1,PMKGWQOHONBOBP-UHFFFAOYSA-N
-rxn:4:213038:227468,CCN(CC)c1ncc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,JKABSBXWSYGDCM-UHFFFAOYSA-N
-rxn:4:213041:226654,CC1CCN(c2nc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)cs2)CC1,WRSNTKMNHJBNIC-UHFFFAOYSA-N
-rxn:4:213042:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc1,VOMMZVGBWVPSNE-UHFFFAOYSA-N
-rxn:4:213126:225975,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(N4CCOCC4)c3Cl)nc2)CC1,JNTBBYICGUNVFF-UHFFFAOYSA-N
-rxn:4:213132:225977,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,LWJBLJAXCYLDEA-UHFFFAOYSA-N
-rxn:4:213135:226231,CCCCOc1ncc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)cc1C,IMNPMMFAXAZKRJ-UHFFFAOYSA-N
-rxn:4:213159:224821,COc1cc(N2CCN(C(=O)Cc3ccccc3-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)CC2=O)ccn1,ZMWRXYVTKSIHTN-UHFFFAOYSA-N
-rxn:4:213180:224767,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cccc(C(=O)N5CCOCC5)c4F)cn3)CC2)c(C)o1,ILEIWFIKPOZVRE-UHFFFAOYSA-N
-rxn:4:213195:228089,CCCOc1ncccc1-c1cnc(OCC2CCN(C(=O)C3CCOCC3)CC2)nc1,SEFLMTGYSQLJMJ-UHFFFAOYSA-N
-rxn:4:213201:224650,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(F)ccc3OCC3CCOCC3)CC2)ncn1,LDRGVGYZRFEJFJ-UHFFFAOYSA-N
-rxn:4:213201:225357,CCOc1cc(-c2ccccc2S(=O)(=O)N2CCC(COc3cc(C)ncn3)CC2)c(F)c(C(F)(F)F)c1,JWXVIEKROLHMKP-UHFFFAOYSA-N
-rxn:4:213216:226541,COC(=O)c1ccc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)cc1OC,CHZFBIGOSTUAPM-UHFFFAOYSA-N
-rxn:4:213217:224810,CCN1CCN(c2ncc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cc2C(=O)OC(C)(C)C)CC1,PDYUNSIBWMZEQS-UHFFFAOYSA-N
-rxn:4:213247:222735,O=C(NC1CCCCC1)c1cccc(-c2cnn(CC3CN(C(=O)C4(c5ccccc5)CCOCC4)C3)c2)c1,JTSAGTIBZNDYSS-UHFFFAOYSA-N
-rxn:4:213261:224659,CN1CCN(C(=O)c2cccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)c(N4CCOCC4)c3)c2)CC1,CLYWNHXNEMBNPG-UHFFFAOYSA-N
-rxn:4:213265:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)cc2)CC1,XEWCZJUZUZGIKJ-UHFFFAOYSA-N
-rxn:4:213268:224274,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc5cnccc5n4C(=O)OC(C)(C)C)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,NUVCGTLNHIYRAK-SIBVEZHUSA-N
-rxn:4:213269:223054,COc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,XYAQTJFIZDMEGH-UHFFFAOYSA-N
-rxn:4:213271:222817,COc1ccc(-c2cc(S(=O)(=O)NC3CC3)ccc2OC)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,FGJZVPZUXYLVFR-UHFFFAOYSA-N
-rxn:4:213286:225342,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3cc(C(=O)N(C)C)cc([N+](=O)[O-])c3)cc2)SC1=S,QFUCHJJWFQIMOQ-UHFFFAOYSA-N
-rxn:4:213349:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)c1,VRTNYOIVAIVOHR-UHFFFAOYSA-N
-rxn:4:213394:225110,COc1cccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(OC(=O)OC(C)(C)C)cc5)cc4s3)CC2)c1OC,YZCAVQKTPBFURY-UHFFFAOYSA-N
-rxn:4:213395:223601,COc1ccc(COc2ncc(-c3ccc4ccn(CC(=O)N5CCN(S(=O)(=O)c6ccc(F)cc6)CC5)c4c3)cc2C(F)(F)F)cc1,IHVBLVUQNHIKGN-UHFFFAOYSA-N
-rxn:4:213421:222851,CCc1cc(-c2ccc(CC(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)cc(C2CCNCC2)n1,GLJHSDIHIKGYHG-UHFFFAOYSA-N
-rxn:4:213480:223046,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)NC5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RQARWMQLEUQBHC-VAALAVNJSA-N
-rxn:4:213480:224818,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FLCQWJOCIICKAV-WKGIXAQJSA-N
-rxn:4:213480:225947,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCN(C)CC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XZXZFJSUWZTJPD-QUOLTWHMSA-N
-rxn:4:213480:226441,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCCC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GBJNXCPQLIVKMZ-CPPXEKLYSA-N
-rxn:4:213480:226583,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCOCC5)s4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JNNXJQZLZKQHNN-MDCBZVBUSA-N
-rxn:4:213628:222682,COc1cccc(-c2ccn(C3CN(C(=O)OC(C)(C)C)C3)n2)c1NC(=O)OC(C)(C)C,YFTOYOSZAYONQR-UHFFFAOYSA-N
-rxn:4:213632:222751,Cc1ccc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)cc1NC(=O)OC(C)(C)C,CZRZENHKBUIYIX-UHFFFAOYSA-N
-rxn:4:213632:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)ccc1F,NSHXTVQGWBXXRR-UHFFFAOYSA-N
-rxn:4:213653:224498,CCN1CCN(Cc2ccccc2-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)CC1,KZTYHEXIDHDTOR-UHFFFAOYSA-N
-rxn:4:213653:226534,COC(=O)c1cc(OC)ccc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,HCITUGFULPZVHU-UHFFFAOYSA-N
-rxn:4:213657:222826,CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)CO1,FCKKZPHGLZYJHE-GOSISDBHSA-N
-rxn:4:213661:224754,CCOC(=O)C1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCCCC3)cn2)CC1,PSKFBOVZIYFNEG-UHFFFAOYSA-N
-rxn:4:213718:222852,OC1CCN(Cc2cccc(-c3cnn(CC4CN(CC5COCCO5)C4)c3)c2)CC1,QXVCVQCGVRUOPZ-UHFFFAOYSA-N
-rxn:4:213737:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ccncn4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,JALNZPNSZCEUDC-UHFFFAOYSA-N
-rxn:4:213755:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,ZKKPZIMURXGROQ-UHFFFAOYSA-N
-rxn:4:213755:224323,Cc1cc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C)c1S(=O)(=O)N1CCCC1,CJMCROSUASGDEP-UHFFFAOYSA-N
-rxn:4:213758:222803,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,ISOYCIKRGBRZNT-UHFFFAOYSA-N
-rxn:4:213758:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(CCC3CCCCN3S(C)(=O)=O)cn2)cc1,DHNWBTKUHYCLMW-UHFFFAOYSA-N
-rxn:4:213758:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(CCC4CCCCN4S(C)(=O)=O)cn3)cc2)CC1,GDULRYCGLXSOID-UHFFFAOYSA-N
-rxn:4:213777:223943,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1c(Cl)c(C)cc2c1cnn2C1CCCCO1,CZBRXEAVAMZNGL-UHFFFAOYSA-N
-rxn:4:213798:226654,CC1CCN(c2nc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cs2)CC1,VIDXFESOBOOWSC-UHFFFAOYSA-N
-rxn:4:213800:225984,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(Cl)c(N3CCOCC3)c2)ncn1,LMHBPKKVKWKYTO-UHFFFAOYSA-N
-rxn:4:213821:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(Cl)c(C(=O)N4CCC(Oc5cnccn5)CC4)c3)ccc21,IXJQOAJEEBRIEI-UHFFFAOYSA-N
-rxn:4:213838:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,FHIHLWIWJPWMMA-UHFFFAOYSA-N
-rxn:4:213841:222604,COc1ccc(-c2cnc(OC3CCN(CC4CCC4)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,YXZVIMDOGDTORY-UHFFFAOYSA-N
-rxn:4:213863:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,POHGMEIBULANBZ-UHFFFAOYSA-N
-rxn:4:213872:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnn(CC2CN(CC3CCCCC3)C2)c1,ZFNJWWFADJORJY-UHFFFAOYSA-N
-rxn:4:213880:225059,CC1CCN(c2ccc(-c3ccncc3N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,PLZBMLJBHJLDFN-UHFFFAOYSA-N
-rxn:4:213897:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,ADQRIRKTSKPSLK-UHFFFAOYSA-N
-rxn:4:213898:222584,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,SMKMVMNGSJIDLN-UHFFFAOYSA-N
-rxn:4:213905:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)cnc21,RXZSHUBRBDUFPO-UHFFFAOYSA-N
-rxn:4:213910:223284,CS(=O)(=O)Nc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,OETFNXZRZXCPQV-UHFFFAOYSA-N
-rxn:4:213933:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,PXXQFSCHUBAHJY-UHFFFAOYSA-N
-rxn:4:213933:227011,CC(C)OCc1ccc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)cc1,RSWGXIQICWNJNX-UHFFFAOYSA-N
-rxn:4:213933:228572,Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)cc1C#N,HCHAFVNKZQEOLL-UHFFFAOYSA-N
-rxn:4:213937:223952,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)CC2=O)ccn1,VLHJPPJEBAMYEV-UHFFFAOYSA-N
-rxn:4:213944:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)cc1,HNLYCKDJDLKSDQ-UHFFFAOYSA-N
-rxn:4:213969:227909,CCC(C)c1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)ccn1,FGJNLSZRIFJPCD-UHFFFAOYSA-N
-rxn:4:214027:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1Cl,CJQUMFXXYHZSCR-UHFFFAOYSA-N
-rxn:4:214029:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)c1Cl,OIFZHYBDKBIDQW-UHFFFAOYSA-N
-rxn:4:214072:223561,CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)cc1,GOTQAPFYVQXHPA-UHFFFAOYSA-N
-rxn:4:214074:227538,COC(=O)c1ccc(Cl)cc1-c1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC(C)C3)c2C)cc1,RLXOWGMNWNLOSA-UHFFFAOYSA-N
-rxn:4:214086:223280,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCNC4)nc3)cc2N2CCCCC2)CC1,NRMPIJVLFAQXAH-UHFFFAOYSA-N
-rxn:4:214099:223521,CCOC(=O)c1ncn2c(SC)ncc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c12,JBCKAGMNILNJNL-UHFFFAOYSA-N
-rxn:4:214153:225219,CC1CCCCN1c1cc(F)c(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)cn1,KDHNMLJGQPTFIU-OEMAIJDKSA-N
-rxn:4:214234:225709,CN(C)CCCOc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cn1,NSEUMNIHDYBSHI-UHFFFAOYSA-N
-rxn:4:214254:222677,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc(F)cc3CNC(=O)OC(C)(C)C)cnc21,NMOYGQRYCFVPGV-UHFFFAOYSA-N
-rxn:4:214271:223919,CN(C(=O)c1ccc(-c2cccc(C(=O)N3CCC(Oc4cnc5ccccc5n4)CC3)c2)cc1Cl)C1CCCCC1,LMJHPBZXUPDYCZ-UHFFFAOYSA-N
-rxn:4:214379:225973,Cc1cn(-c2cc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc6c7c(c5)CCN7C(=O)CC6)CC4)o3)cnc2Cl)cn1,GNQRJAYAEXSXGA-UHFFFAOYSA-N
-rxn:4:214424:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)CN=[N+]=[N-])cc3)cn2)CC1,MJHHYQZCWIDBFZ-UHFFFAOYSA-N
-rxn:4:214627:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)cc2)CC1,PFNFLYHZSYHKDN-UHFFFAOYSA-N
-rxn:4:214668:222584,CCN1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)nc2)CC1,OENYCNKHDDICIL-UHFFFAOYSA-N
-rxn:4:214670:222723,CC(=O)N1CCCC(Cc2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,YXZVOYCVELYPEK-UHFFFAOYSA-N
-rxn:4:214679:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCC(C(F)(F)F)CC2)n1,BZQWEXBVZFOXLN-UHFFFAOYSA-N
-rxn:4:214683:223951,CCN1CCN(C(=O)c2ncc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cc2Cl)CC1,QRBUUXWFJYGJEW-UHFFFAOYSA-N
-rxn:4:214698:222466,CCCc1nc(N2CCN(C)CC2)sc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,FXTPIDANXPLNML-UHFFFAOYSA-N
-rxn:4:214709:223952,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)cn2)CC1,UVQYYYLAIUWJSU-UHFFFAOYSA-N
-rxn:4:214711:224766,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)cn2)CC1,WUOBXAULZUAYBM-UHFFFAOYSA-N
-rxn:4:214718:224976,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3cccc(N4CCCCC4)c3C#N)c2)CC1,ZBSODEBMDVYKEE-UHFFFAOYSA-N
-rxn:4:214720:223828,CCN1CCN(c2cc(-c3cnn(-c4ccc(S(=O)(=O)N5CCCC5)cc4)c3)cc(C(F)(F)F)c2)CC1,OWIOUFHUBDZHKN-UHFFFAOYSA-N
-rxn:4:214731:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cccnc1N1CCN(S(=O)(=O)C2CC2)CC1,PKEYZPBGORHKPS-UHFFFAOYSA-N
-rxn:4:214742:224672,CCN1CCN(c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)c(Cl)c2)CC1,DHSFXHWDBPRFOO-UHFFFAOYSA-N
-rxn:4:214743:224194,CCN1CCN(Cc2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)cc2Cl)CC1,LBDZDVOZZNKVAB-UHFFFAOYSA-N
-rxn:4:214749:224656,COc1ccc(-c2cnc(OC3CCN(C4CCC4)CC3)nc2)c(F)c1OC1CCCC1,KEEXZHUKWDCFEB-UHFFFAOYSA-N
-rxn:4:214763:223998,CCCN1CCN(c2ncc(C)cc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,OQJLICOSRCIJSQ-UHFFFAOYSA-N
-rxn:4:214765:222845,CC(c1ccc(-c2cccc(N3CCC(N(C)C)CC3)c2[N+](=O)[O-])cc1)N1CCNCC1,JDSGNJRMWOVUBS-UHFFFAOYSA-N
-rxn:4:214766:225047,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)c([N+](=O)[O-])c2)cnc1N1CCC(C)CC1,CMFHMSPWGWVNSP-UHFFFAOYSA-N
-rxn:4:214768:222845,CC(c1ccc(-c2cc(N3CCC(N(C)C)CC3)ccc2[N+](=O)[O-])cc1)N1CCNCC1,IIVVYQLSKSYNJZ-UHFFFAOYSA-N
-rxn:4:214838:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1Cl,MFNFIPGIWUWKFC-UHFFFAOYSA-N
-rxn:4:214855:225050,CC1CCN(c2cc(F)cc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)c2)CC1,RJPWQJWUAHDIIW-UHFFFAOYSA-N
-rxn:4:214859:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1,KSTULUKQAPDSLC-UHFFFAOYSA-N
-rxn:4:214865:226212,CON=C1CCc2cc(-c3cccnc3N3CCCC(C(=O)N4CCOCC4)C3)ccc21,WFLUMXYPEALPME-UHFFFAOYSA-N
-rxn:4:214873:226227,COCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,MBYHVOWWGDVLPL-UHFFFAOYSA-N
-rxn:4:214880:223602,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,GKTIINRTVZNUDH-UHFFFAOYSA-N
-rxn:4:215054:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,UUYYVHIAXLXSKM-UHFFFAOYSA-N
-rxn:4:215170:226719,CCOC(=O)c1cnc(Cl)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,VTVBINSCHQCDLM-UHFFFAOYSA-N
-rxn:4:215214:226856,COc1cnc(C(F)(F)F)cc1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,DFCOKHUMNDOVJV-UHFFFAOYSA-N
-rxn:4:215214:227586,CCOc1ccc(Cl)c(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)c1F,CVBNGZLPDBIMJQ-UHFFFAOYSA-N
-rxn:4:215301:225179,Clc1cccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c1CN1CCOCC1,JZQMHNZJEILIIE-UHFFFAOYSA-N
-rxn:4:215673:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(F)(F)C4)c(C#N)c3)ccc2C)CC1,JFZZNFLYIWHHGN-UHFFFAOYSA-N
-rxn:4:215780:224323,Cc1cc(-c2cnc(N3CCC(F)(F)CC3)c(C#N)c2)cc(C)c1S(=O)(=O)N1CCCC1,WVOFYQYTNCMWMD-UHFFFAOYSA-N
-rxn:4:215780:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)c2)CC1,LJABXYSESZSUIN-UHFFFAOYSA-N
-rxn:4:215780:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)cc2)CC1,WXYJWCOYMAHAHY-UHFFFAOYSA-N
-rxn:4:215789:223640,CCOC12C(=O)c3cc(F)cc(-c4cncc([N+](=O)[O-])c4N4CCCCC4)c3C(=O)C1C2(C)C,SZNWIZUYPOIOEW-UHFFFAOYSA-N
-rxn:4:215802:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,YNWBOYBLZQQIBB-UHFFFAOYSA-N
-rxn:4:215802:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,YTMGTNMJQRLKIE-UHFFFAOYSA-N
-rxn:4:215802:224394,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,KOKODVZHLCTQNQ-UHFFFAOYSA-N
-rxn:4:215820:222465,CN1CCC(Oc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)nn2)CC1,FANMGDQOILUELV-UHFFFAOYSA-N
-rxn:4:215893:222631,CN1CCN(c2cccc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c2[N+](=O)[O-])CC1,XLZZEPNYCJTEIX-UHFFFAOYSA-N
-rxn:4:215904:222720,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cn2)CC1,GMVCRQYECCMLKG-UHFFFAOYSA-N
-rxn:4:215906:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)CC1,IOWCPKCEPCHAKA-UHFFFAOYSA-N
-rxn:4:215907:222432,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,CIEPZCCSGJEVSX-UHFFFAOYSA-N
-rxn:4:215910:224575,CC1CCN(c2ccc(-c3cc(F)c([N+](=O)[O-])c(N4CCN(C)CC4)c3)c(C#N)c2)CC1,LOOXSROWNLFKKU-UHFFFAOYSA-N
-rxn:4:215911:224575,CC1CCN(c2ccc(-c3cc(N4CCN(C)CC4)c([N+](=O)[O-])cc3F)c(C#N)c2)CC1,IKOWMPTXSDQSHW-UHFFFAOYSA-N
-rxn:4:215913:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,ASBCGEVAQXIMCE-UHFFFAOYSA-N
-rxn:4:215913:224771,Cc1ccc(-c2cnc(N3CCN(C)CC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1,PHJRNWBFCQWGNK-UHFFFAOYSA-N
-rxn:4:215915:224017,CN1CCN(c2cc(C(F)(F)F)c(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cn2)CC1,FNZRUIMYENDRMC-UHFFFAOYSA-N
-rxn:4:215941:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccncc3N3CCC(N(C)C)CC3)c2)CC1,QYXXKHJOWLKRNQ-UHFFFAOYSA-N
-rxn:4:215944:223952,CN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2Cl)CC1,HHEDLBDVKPBDNR-UHFFFAOYSA-N
-rxn:4:215950:223834,CCN1CCN(c2ncc(C)cc2-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)CC1,BPGQPEKHBWCSTD-UHFFFAOYSA-N
-rxn:4:215950:223993,CCN1CCN(c2ncc(C)cc2-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)CC1,YELQQJFHDAGHOF-UHFFFAOYSA-N
-rxn:4:215956:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(N2CCC(N(C)C)CC2)c1,MCJXAKYUOWCEQE-UHFFFAOYSA-N
-rxn:4:215959:224659,Cc1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1-c1cccc(C(=O)N2CCN(C)CC2)c1,CAUOIGVXMMHJBF-UHFFFAOYSA-N
-rxn:4:215989:225641,CC1CCCN(c2cc(-c3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)ccn2)C1,CLTUSPJCPASWEC-UHFFFAOYSA-N
-rxn:4:216205:222466,COc1ccnc2c(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)nn(C3CCCCO3)c12,ZZGOFCWCEWREOO-UHFFFAOYSA-N
-rxn:4:216213:223670,CC(=O)N1CCC[C@H]1c1nc2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]1,NRXCVUOZMLIVJL-QHCPKHFHSA-N
-rxn:4:216276:222439,CN1CCN(c2ccc(-c3nc4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5C(F)(F)F)cc4s3)cc2)CC1,MFVMPWABWUKLEQ-UHFFFAOYSA-N
-rxn:4:216319:225631,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)cc4)ccc3S2(=O)=O)n1,BQOIVYOIRGGJBF-UHFFFAOYSA-N
-rxn:4:216319:225632,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cccc(N5CCN(C)CC5)c4)ccc3S2(=O)=O)n1,PSGVVSYVIZBZHN-UHFFFAOYSA-N
-rxn:4:216355:225722,CC(C)C(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(Cl)c(OCCN(C)C)c3)cc12,ZLFHLHHHPWHHDW-UHFFFAOYSA-N
-rxn:4:217206:222465,Cc1cc(N2CCC(C)CC2)nc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)n1,LZURVPGMBJYDLA-UHFFFAOYSA-N
-rxn:4:217206:222466,Cc1cc(N2CCC(C)CC2)nc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)n1,OIXILLTUOSTTGK-UHFFFAOYSA-N
-rxn:4:217857:223993,Cc1cc(-c2cnn(C)c2C23CCN(C)CC2O3)ccc1S(=O)(=O)N1CCN(C)CC1,HLGQFOJBLVADSZ-UHFFFAOYSA-N
-rxn:4:217889:223993,Cc1cc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,GVUMHNWMSFOFHA-UHFFFAOYSA-N
-rxn:4:217907:225709,CN(C)CCCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)cn1,YNZCGPGSVPTCGO-UHFFFAOYSA-N
-rxn:4:218589:222826,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C2)cc1,XLMGAUJDRAZBOD-UHFFFAOYSA-N
-rxn:4:218600:223901,CC1CCN(CCOc2ccc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,ZHACJHNDWFIEIU-UHFFFAOYSA-N
-rxn:4:218604:222611,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4OC)cn3)CC2)cn1,QQBREYLTTHZCEL-UHFFFAOYSA-N
-rxn:4:218655:225377,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(OC(F)F)c(C(F)(F)F)c3)cn2)CC1,QNZKQFGILQTOPY-UHFFFAOYSA-N
-rxn:4:218687:223695,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)c3)CC2)nn1,ODIRHHYUZLDMKW-UHFFFAOYSA-N
-rxn:4:218721:224704,CCCCCCCn1c(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,CQJMJWLLGVBDIP-UHFFFAOYSA-N
-rxn:4:218746:223814,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)cc5F)cc4)nnc3s2)C1,QCMGSVVXXSMWAS-UHFFFAOYSA-N
-rxn:4:218786:222465,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cccc4c3C2)CC1,SPUDJFQKRANGDN-UHFFFAOYSA-N
-rxn:4:218856:224400,N#Cc1ccc(OC2CCN(C(=O)c3cncc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)c3)CC2)nc1,JUCPYRNBVYBHBQ-UHFFFAOYSA-N
-rxn:4:218867:223186,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnn(C4CCCCO4)c3)c2)no1,FFNDRUPYQYFQKB-UHFFFAOYSA-N
-rxn:4:218867:225227,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)c2)no1,QCZNPOCSPUHBGI-UHFFFAOYSA-N
-rxn:4:218877:223867,CC1CCN(CCCOc2cccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)c2)CC1,UFEQRWKYPBCWTC-UHFFFAOYSA-N
-rxn:4:218886:222546,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,YPDQEYSFCBFEQI-UHFFFAOYSA-N
-rxn:4:218903:225979,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2C#N)CC1,FBIJDRLQIOWHSO-UHFFFAOYSA-N
-rxn:4:218903:226792,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)nc3)cc2C#N)CC1,GOHKEEKGSQBFAS-UHFFFAOYSA-N
-rxn:4:218944:223139,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CCNCC4)nc3)cc2[N+](=O)[O-])CC1,CDWLBKRTBBGXJF-UHFFFAOYSA-N
-rxn:4:218944:228139,COc1cc(C#N)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,YWPNGMLSMMZWSL-UHFFFAOYSA-N
-rxn:4:218945:222423,COc1c(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HXXVQLXVCUALNN-UHFFFAOYSA-N
-rxn:4:218991:225222,CC1CCCCN1c1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)cn1,ZTQNYZUYCACABO-UHFFFAOYSA-N
-rxn:4:218992:223352,CC(C)Nc1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cn1,UBQLMGRJBWAGRL-UHFFFAOYSA-N
-rxn:4:219002:224718,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)c1=O,PXOSCZZTDSHTOS-UHFFFAOYSA-N
-rxn:4:219016:223114,CCCNC(=O)c1cccc(-c2cncc(C(=O)N3CCCC(N(C)c4ncccc4C(F)(F)F)C3)c2)c1,ZZWMKDSRPKYENO-UHFFFAOYSA-N
-rxn:4:219040:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CCCC(Cc5nc(-c6ccccc6F)no5)C4)c3)ccc2F)CC1,QOZRBJNKDINQGL-UHFFFAOYSA-N
-rxn:4:219072:227390,O=C(Cc1nnc(-c2cccc(-c3ccnn3C3CCCCC3)c2)o1)N1CCN(C2CCCCC2)CC1,RIGZMNMCUMCWLC-UHFFFAOYSA-N
-rxn:4:219175:225281,CN(C(=O)c1cc2nc(-c3ccc(-c4cc(Cl)nc(C(=O)OC(C)(C)C)c4)cc3)cc(C(F)(F)F)n2n1)C1CCCCC1,ZTBKTSHLJVCHQU-UHFFFAOYSA-N
-rxn:4:219225:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)N4CC(Cn5cncn5)C4)o3)cc2C)CC1,AZJAPGMPOQLSCE-UHFFFAOYSA-N
-rxn:4:219294:222546,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cs1,LUPDQOUSOGNMEK-UHFFFAOYSA-N
-rxn:4:219295:223753,Cc1ccc(-c2cnc(OC3CCN(C(=O)c4cccnc4)C3)nc2)cc1OCCCN1CCN(C)CC1,UXQZKRLZEFWAAH-UHFFFAOYSA-N
-rxn:4:219320:224306,FC(F)(F)c1ccc(-c2cnccc2OC2CCN(c3nccc(C(F)(F)F)n3)C2)c(OC2CCCC2)c1,GSNUEMINVYHEBO-UHFFFAOYSA-N
-rxn:4:219336:225890,C[Si](C)(C)CCOCn1cc(-c2cnn(CC3CN(C(=O)N4CCOCC4)C3)c2)cn1,ZLNNXQXARIQRBG-UHFFFAOYSA-N
-rxn:4:219337:223520,Cc1nc(C)c(CN2CC(Cn3cc(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)C2)s1,IHINHAVRXKZNLQ-UHFFFAOYSA-N
-rxn:4:219371:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,AFFDQAWDZQQFFT-UHFFFAOYSA-N
-rxn:4:219377:223812,CCn1ccnc1N1CCN(C(=O)c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)o2)CC1,HIGKBLDURNMLGE-UHFFFAOYSA-N
-rxn:4:219414:226495,CCN(CC)c1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c(F)cn1,LAAJIHFJKXHRBC-UHFFFAOYSA-N
-rxn:4:219451:225050,CC1CCN(c2cc(F)cc(-c3cn(C)nc3C(=O)N3CCCN(CC4CC4)CC3)c2)CC1,DOCNAWCJMCADGC-UHFFFAOYSA-N
-rxn:4:219464:222584,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,DOPFCIMQIIANKK-UHFFFAOYSA-N
-rxn:4:219477:222845,CC(c1ccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1)N1CCNCC1,UXBPZPRFKPVAHX-UHFFFAOYSA-N
-rxn:4:219498:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3OC)c2)CC1,CLYMBQCXDRTPFL-UHFFFAOYSA-N
-rxn:4:219498:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1OC,ZKGZYLJTNOENEI-UHFFFAOYSA-N
-rxn:4:219498:226479,CCCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,ZMTZQVSJXGDYBD-UHFFFAOYSA-N
-rxn:4:219506:223971,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc(C(F)(F)F)c2)CC1,OBHURNUKNBIUNN-UHFFFAOYSA-N
-rxn:4:219516:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(OC2CCN(CC3CC(=O)N(C)C3)CC2)nc1,QGRRKMNCOAACDT-UHFFFAOYSA-N
-rxn:4:219529:223148,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccccc1C1CNCCO1,ASIIIBUTNSKNDY-UHFFFAOYSA-N
-rxn:4:219529:228623,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1sccc1C1CCC1,BJRDOUQJTRSVFG-UHFFFAOYSA-N
-rxn:4:219536:226330,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccc(C(C)N5CCCC5)s4)o3)CC2)cn1C,KAIVKKAJQKJKFP-UHFFFAOYSA-N
-rxn:4:219537:225324,CC(C)CCn1cc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(C(F)(F)F)n1,LNOICMUYSLMYNV-UHFFFAOYSA-N
-rxn:4:219562:226472,CN(C)CCOc1cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)ccn1,GXNJFHNETCHFKQ-UHFFFAOYSA-N
-rxn:4:219641:222634,O=C(c1cc2n(n1)CCCO2)N1CCC(Oc2ncccc2-c2ccc(OCCNC3CCCC3)c(F)c2)C1,PNFAEHPSGCZIQZ-UHFFFAOYSA-N
-rxn:4:219653:223064,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(C5CCNCC5)nc4F)nc3s2)CC1,FGPJXLNILQGMBP-UHFFFAOYSA-N
-rxn:4:219653:224394,Cc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1S(=O)(=O)N1CCOCC1,IDIOWPNKZCMOKG-UHFFFAOYSA-N
-rxn:4:219692:225566,CC1(COc2ccc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c4nc(Cl)ncc34)cc2)COC1,WQVGWUPEVBNLOI-UHFFFAOYSA-N
-rxn:4:219750:225537,CCN(CC)Cc1ccc(F)c(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,DQVDKHUIYIFGAB-UHFFFAOYSA-N
-rxn:4:219867:224672,CCN1CCN(c2ccc(-c3cnc(N4CCN(CC)CC4)c([N+](=O)[O-])c3)c(Cl)c2)CC1,MQZYXQAOOWDVEW-UHFFFAOYSA-N
-rxn:4:219904:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,ZYKATQNHLSRWET-UHFFFAOYSA-N
-rxn:4:219955:222634,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CCO1)N1CCSCC1,GSXMJYKYIXKQTJ-UHFFFAOYSA-N
-rxn:4:220159:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c2)CC1,HQZPEYSNUNPSNL-UHFFFAOYSA-N
-rxn:4:220268:223785,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3c4ccccc4N4C(c5c(C)c(C)cc(C)c5C)=NON34)cc2Cl)CC1,NSQNTEPTQVPUSZ-UHFFFAOYSA-N
-rxn:4:220394:223840,COc1ccc(-c2cnc(N3CCN(C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCN(C)CC1,SPZVJWHNGHQIDN-UHFFFAOYSA-N
-rxn:4:220429:223773,COc1cccc2cc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)n(C(=O)OC(C)(C)C)c12,UUCVXSANYAGBCP-UHFFFAOYSA-N
-rxn:4:220519:223532,CCN1CCN(c2ncnc3ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,LEOOVFPLNWSKDU-UHFFFAOYSA-N
-rxn:4:220536:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)cc(F)c2s1,JVHWORRNVJOXRW-UHFFFAOYSA-N
-rxn:4:220936:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn4ccnc4c(N4CCOCC4)n3)cc(F)c2F)CC1,OZAJKIURFKKNFD-UHFFFAOYSA-N
-rxn:4:220953:223527,Cc1nnc2n1-c1sc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc1C(c1ccccc1F)=NC2,WBRMQDFEGWRFDX-UHFFFAOYSA-N
-rxn:4:221101:222869,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(C(=O)NCC(C)C)c3)cn2)C1,ZCFONCPZRPJZHP-UHFFFAOYSA-N
-rxn:4:221108:226333,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4cccc(C(=O)N5CCC5)c4)cn3)CC2)c(=O)c1C,HZKWBNJYIKTLRA-UHFFFAOYSA-N
-rxn:4:221114:228815,CCOc1ccc(-c2ccc(SC)cc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,CXKVDCOILVYDEA-UHFFFAOYSA-N
-rxn:4:221116:228516,CCOc1ccc(-c2cc(C)cc(CC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,JSVVDIMTRWZBTO-UHFFFAOYSA-N
-rxn:4:221121:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,YIILNVRNTIPBDK-UHFFFAOYSA-N
-rxn:4:221180:224324,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCC(=O)CC5)c4)cn3)CC2)nn1C,LEUSREKMMCTXMP-UHFFFAOYSA-N
-rxn:4:221186:224649,CN(CC1CCN(c2ncc(-c3cc(F)ccc3OCC3CCCCO3)cn2)CC1)c1cc(C(F)(F)F)ccn1,HXQRIUVDOBHERD-UHFFFAOYSA-N
-rxn:4:221208:223279,Cc1cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)nc(N2CCOCC2)n1,HAOKAAMFWYGCQT-UHFFFAOYSA-N
-rxn:4:221250:225616,O=C(c1ccccc1-c1ccc(C2=NN(C(=O)CN3CCCCC3)C(c3nc4ccccc4[nH]3)C2)cc1)N1CCCC1,AETWYJWZODSSLW-UHFFFAOYSA-N
-rxn:4:221270:225984,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,UKVIKFAXYLWGRQ-UHFFFAOYSA-N
-rxn:4:221387:223595,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)c1C,RKWWENWPLAHZLE-UHFFFAOYSA-N
-rxn:4:221389:222634,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c1C,AJHXPBGBZLGABK-UHFFFAOYSA-N
-rxn:4:221395:223834,Cc1cc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,YXMQCVUOHAGGDF-UHFFFAOYSA-N
-rxn:4:221414:223659,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)CC2)cn1C,IVKRAUROZWXKIY-UHFFFAOYSA-N
-rxn:4:221421:225514,O=C(c1cccc(-c2cccc3c2OCC2(CC2)CO3)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,IHSLDJMVISSRGC-UHFFFAOYSA-N
-rxn:4:221433:223184,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCNCC5)nc4)cc3)CC2)n1,UZLZGQOVKUODAS-UHFFFAOYSA-N
-rxn:4:221440:224679,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)cc3)CC2)n1,FIRGOANFDSNNMM-UHFFFAOYSA-N
-rxn:4:221449:224820,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,NLBPOVUGTPKJPB-UHFFFAOYSA-N
-rxn:4:221456:223043,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)cc3)CC2)n1,WTWPBYAZINIXLI-UHFFFAOYSA-N
-rxn:4:221498:225549,CCCCC(=O)c1cc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)ccc1F,GGKWOKZWXQXGER-UHFFFAOYSA-N
-rxn:4:221621:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C(F)(F)F)cnc3N3CCN(c4ccncn4)CC3)c2)CC1,GYCHCCNLLUEPMY-UHFFFAOYSA-N
-rxn:4:221645:222540,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)CC2)n1,ORYJHRKHKLPWSA-UHFFFAOYSA-N
-rxn:4:221718:222634,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2CCN2CCCCC2)n(C)c1=O,FTUMKVCVOYIOAM-UHFFFAOYSA-N
-rxn:4:221726:222993,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cccc(N4CCCCC4O)c3)cn2)CC1,VAVJJYLIUYCCRZ-UHFFFAOYSA-N
-rxn:4:221730:224318,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,PFIDBCNLGDFUHB-UHFFFAOYSA-N
-rxn:4:221917:223606,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)c(F)c5)c4)CC3)nn2)n1,GKRYHLWTIBXEQD-UHFFFAOYSA-N
-rxn:4:221920:223239,CCOc1ccc(-c2cncc(C3CCCN3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,ZSLIKSCJSBCGOY-UHFFFAOYSA-N
-rxn:4:221925:224267,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5cccc(N6CCC7(CC6)OCCO7)c5)no4)C3C2=O)cc1,ARJVTTRSAGNCHA-UHFFFAOYSA-N
-rxn:4:221933:222654,CN(C(=O)c1cncc(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1)C1CN(c2nccnc2C#N)C1,LPDIAJJWMWFDQX-UHFFFAOYSA-N
-rxn:4:221938:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nn5)C4)nc3)c(F)c2)CC1,YSVPFSYQACDUDG-GLQXSRQHSA-N
-rxn:4:221939:223532,Cn1ncnc1CN1CCC(COc2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,FYPFLEUDNDENOQ-UHFFFAOYSA-N
-rxn:4:221951:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(CN(C)c3nccnc3OC)CC2)nc1,BIDLSBRILUZNLV-UHFFFAOYSA-N
-rxn:4:221965:224763,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)ccc5C(=O)N5CCOCC5)cc4)CC3)nn2)CC1,CRVPXYCEAKRQLB-UHFFFAOYSA-N
-rxn:4:221967:222708,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(S(=O)(=O)NC(=O)CC(C)C)cc3)cc2)c1=O,KFLATGGLTLOYCL-UHFFFAOYSA-N
-rxn:4:221977:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cc2)CC1,JINYEBSDFGALIP-UHFFFAOYSA-N
-rxn:4:221978:222800,Cc1cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cc(C)c1S(=O)(=O)NC(C)C,ZNLQXSIPHOTTNI-UHFFFAOYSA-N
-rxn:4:221980:226708,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(C6OCCO6)ccc5Cl)c4)sc3n2)CC1,YZDLYXJYBBMDLR-UHFFFAOYSA-N
-rxn:4:221982:223047,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC7CC7)c6)cc5)no4)C3C2=O)cc1,TXQOYPZDBHGXLR-UHFFFAOYSA-N
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-rxn:5:181907:225633:222981,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1,ZJTPGIRVNHHXAL-UHFFFAOYSA-N
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-rxn:5:189662:225498:227056,COc1cccc(C2CC2)c1-c1ncc(-c2cc(C3CCCCC3)ccc2F)cc1OCC1CCOCC1,WTTFNSIENXGAKJ-UHFFFAOYSA-N
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-rxn:5:189908:223063:226685,Fc1cc(-c2cnc(-c3cnc(C4CCOCC4)nc3)c(OCC3CCCCC3)c2)cc(C2CCNCC2)n1,BEHJUHQZZQAXFT-UHFFFAOYSA-N
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-rxn:5:189952:226571:223113,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1cnn(CC2CCOCC2)c1,ZDYCGCASFQPQKN-UHFFFAOYSA-N
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-rxn:5:190194:225598:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(CN3CCSCC3)c2)cc(F)c1OC,MSFYWINGFJXQQV-UHFFFAOYSA-N
-rxn:5:190194:225805:228692,COC1CCN(Cc2cccc(-c3ccc(C(C)N4CCOCC4)s3)c2-c2ccc(CN(C)C)s2)CC1,KSYGFCFITKAYDH-UHFFFAOYSA-N
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-rxn:5:190196:226029:227771,CCOc1c(F)c(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(OC(F)(F)F)nc3)c2)c(F)c1F,RGWUNJVUAOSLAD-UHFFFAOYSA-N
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-rxn:5:190198:225594:227352,COC(=O)c1ccc(C)cc1-c1cccc(-c2ccc(F)cc2CN2CCCC2)c1CN(C)C1CCOCC1,LQBSAKQDACCCQW-UHFFFAOYSA-N
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-rxn:5:190336:226767:227345,COc1ccc(C(F)(F)F)c(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(OC(C)C)cc3F)c2OC)c1,UCPNZALZKREVCR-UHFFFAOYSA-N
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-rxn:5:190484:225805:227517,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(OC5COC5)nc4)S(=O)(=O)CC3)c2)s1)N1CCOCC1,KRKZPKYBWSKDHP-UHFFFAOYSA-N
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-rxn:5:190744:225976:225881,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccc(C2CCOCC2)nc1F,DQLIBWOALWNBQE-UHFFFAOYSA-N
-rxn:5:190744:225982:225881,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccc(C2CCOCC2)nc1F,HCVDTXDRQDRTSM-UHFFFAOYSA-N
-rxn:5:190744:225982:225976,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,WLZYFKMDZUANIE-UHFFFAOYSA-N
-rxn:5:190797:225623:225931,Cc1cc(-c2cc(-c3cccc(OC4CCOCC4)c3)cc3c2ccn3C(=O)OC(C)(C)C)cc(S(=O)(=O)N(C)C)c1,ZLEZUNBNRHUAIO-UHFFFAOYSA-N
-rxn:5:190832:223061:223140,CCOC(=O)c1cnc2cc(C)c(-c3cc(C4CCNCC4)ncc3F)c(C)c2c1-c1ccnc(C2CCCNC2)c1,YGZSYNINIATAFD-UHFFFAOYSA-N
-rxn:5:190833:226882:227277,CN(C)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)c(F)c3F)c3c2CN(C(=O)OC(C)(C)C)C3=O)cc1C#N,RDTVZXHQHABFAC-UHFFFAOYSA-N
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-rxn:5:190859:223133:226882,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccccc1N1CCNCC1)c2-c1ccc(C(F)(F)F)c(F)c1F,AYYAOSICWVWSLZ-UHFFFAOYSA-N
-rxn:5:190859:227048:226926,Cc1cc(C(C)(C)C)ccc1-c1c(-c2ccc(C(=O)C(C)C)cc2)ccc2c1CCN2C(=O)OC(C)(C)C,MLRNUZNWGKSCPI-UHFFFAOYSA-N
-rxn:5:190998:225655:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1N1Cc2cc(-c3cncc(N4CCC(C)CC4)c3)ccc2OCC1=O,ITZSMWALKAIELJ-UHFFFAOYSA-N
-rxn:5:191026:226197:227055,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(OC)c(C4CC4)c3)c2)c2cc(-c3ccc(C4CCCOC4)cc3)ccc2S1(=O)=O,SNFCKSLADZBBED-UHFFFAOYSA-N
-rxn:5:191049:225980:225982,COc1cc(N2Cc3cc(-c4cc(N5CCOCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,FHEYQPVKEOOCBM-UHFFFAOYSA-N
-rxn:5:192236:223138:225607,COc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(S(N)(=O)=O)cc1-c1ccnc(C2CCNCC2)c1,CBQZDWFTSRYFRP-UHFFFAOYSA-N
-rxn:5:192562:226044:225933,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(C2(C#N)CCC2)cc1-c1cc(C2CC2)nc(C(F)(F)F)c1,BIULMFFWVFXKAW-UHFFFAOYSA-N
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-rxn:5:193225:223061:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1C(=O)N1CCOCC1,NUXJWZJQZFZLHT-UHFFFAOYSA-N
-rxn:5:193226:223062:225978,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCOCC3)nc2F)c1)N1CCOCC1,QRJKMSHYBCVFJV-UHFFFAOYSA-N
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-rxn:5:193226:227376:223061,O=C(c1ccc(-c2cncc(N3CCCC3)c2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,JWOOLEVXYATOSV-UHFFFAOYSA-N
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-rxn:5:193229:226946:226686,Cc1cnn(C2CCCCO2)c1-c1c(C(=O)N2CCOCC2)cccc1-c1ccc2c(c1)CCN(C)C2,YXKFSLZWYGHRED-UHFFFAOYSA-N
-rxn:5:193335:225394:226872,Fc1ccc(OC(F)(F)F)c(-c2cccc(-c3cc(C4CCC4)cc(C4CC4)c3)c2CN2CCOCC2)c1,SONBPKUYIVKJAR-UHFFFAOYSA-N
-rxn:5:193337:226665:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc(C3CCCOC3)nc2)cc1CN1CCOCC1,KGBZRBBEVRBPEE-UHFFFAOYSA-N
-rxn:5:193382:223054:227657,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)s3)c2)s1)N1CCC(O)C1,MOWRWYGIVFXYMP-UHFFFAOYSA-N
-rxn:5:193382:223286:223146,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4CNCCO4)c3)c2)c1,IVHLEBRDPWCETJ-UHFFFAOYSA-N
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-rxn:5:193382:223288:226645,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(N4CCOCC4)c3)c2)c1,GCWPGKGQAXKCAR-UHFFFAOYSA-N
-rxn:5:193382:223295:227449,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCOCC4)s3)c2)c1,WYHOZSQTSQPDQF-UHFFFAOYSA-N
-rxn:5:193382:225805:227803,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnn3S(=O)(=O)N(C)C)c2)s1)N1CCOCC1,VSQKKOBLKRNYKW-UHFFFAOYSA-N
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-rxn:5:193972:226395:228559,CCOc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)cc1,WLDWTWSLMZDISK-UHFFFAOYSA-N
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-rxn:5:193972:227387:228215,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C)c(C#N)c1F,YXQVVMBMKHFDAZ-UHFFFAOYSA-N
-rxn:5:193972:227387:228376,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)c(C#N)c(F)c1,QQGIUXCXGUOUCK-UHFFFAOYSA-N
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-rxn:5:193972:227931:227756,Cc1cc(-c2ccccc2OC2CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(F)cccc1C(F)(F)F,LDBUNRUWKAIITF-UHFFFAOYSA-N
-rxn:5:193972:227952:227387,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)cc1C#N,FSYJHSXGNXEKQF-UHFFFAOYSA-N
-rxn:5:193972:228138:227387,Cc1cc(-c2ccc(CC#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,JTJTYPQWVOSTCN-UHFFFAOYSA-N
-rxn:5:193972:228271:226366,COc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,CPTLSPQGBZLFHT-UHFFFAOYSA-N
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-rxn:5:193972:228502:227404,Cc1cc(-c2nn(C)cc2C(F)(F)F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCCCC2)cs1,POUYUPJGGROONM-UHFFFAOYSA-N
-rxn:5:193972:228520:226366,Cc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1C,CMCIESGQBILJDB-UHFFFAOYSA-N
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-rxn:5:193972:228690:225454,CCOc1cncc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,OVKWFHIQIMKETM-UHFFFAOYSA-N
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-rxn:5:193972:228885:226658,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC2)nc1F,AWZJJBBYDLBOFY-UHFFFAOYSA-N
-rxn:5:193972:228885:226679,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCC2)cc1F,AFIHIFRHWZZFJJ-UHFFFAOYSA-N
-rxn:5:193972:228890:225613,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(OC2CCCCC2)c1,XJFLAAUKUPNDIG-UHFFFAOYSA-N
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-rxn:5:193972:228987:225641,Cc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCCC(C)C4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,DNERNXSBLFYZCZ-UHFFFAOYSA-N
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-rxn:5:193972:228995:225462,CCc1cncc(-c2cc(C)c(-c3cccc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,WQLXRBFQAMOBTO-UHFFFAOYSA-N
-rxn:5:193972:228997:225454,CCc1ccc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,XQZPMYRZCHMGQH-UHFFFAOYSA-N
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-rxn:5:194575:225640:225816,CC1CCCCN1c1cc(-c2ccccc2S(=O)(=O)N2CCc3sc(-c4cc(C5CC5)ccc4C(F)(F)F)cc3C2)ccn1,POJLFSNCAVQTJA-UHFFFAOYSA-N
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-rxn:5:194767:223056:226679,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCC(O)CC5)nc4)ccc3-c3cnc(N4CCCC4)cc3F)C2)c2ccccc21,TZKBWXUKNCBRRB-UHFFFAOYSA-N
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-rxn:5:194767:225980:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCOCC5)ncc4F)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,UKIKGEZTLXQBDG-UHFFFAOYSA-N
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-rxn:5:194792:228194:226594,Cc1nn(C(C)C)c(C)c1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5c(F)cc(OC(C)C)cc5F)cc4)C(=O)C23)cc1,PXAPSFWCXHQHGH-UHFFFAOYSA-N
-rxn:5:194792:228255:228779,COc1ccc(F)cc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccc(C)c(F)c5OC)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,MSABZVIAVMDHNS-UHFFFAOYSA-N
-rxn:5:196198:226154:226047,COc1cc(C(C)(C)C)ccc1-c1ccc(N2C(=O)C=CC2=O)cc1-c1ccc(OC(F)(F)F)c(F)c1F,LLQNJYVXPSYOQZ-UHFFFAOYSA-N
-rxn:5:196618:225924:225634,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(N2CCCC2=O)c1,CZOCPVGBVMFQME-UHFFFAOYSA-N
-rxn:5:196618:225925:225634,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cnc(N3CCCCC3)c(C)c2)c(N2CCCC2=O)c1,ZDRWJXYXBOKIBS-UHFFFAOYSA-N
-rxn:5:196618:225925:225639,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cccnc2N2CCC(C)CC2)c(N2CCCC2=O)c1,UUJXUYVKIWJHGC-UHFFFAOYSA-N
-rxn:5:196620:225849:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCC2=O)c(-c2cnc(N3CCCCC3)cc2F)c1,ZWJAVPUHIDTIFI-UHFFFAOYSA-N
-rxn:5:196623:225636:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(N2CCCC2=O)c1,CBCHAEIGKYWRFX-UHFFFAOYSA-N
-rxn:5:196667:223058:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCC2)c1-c1cc(F)nc(C2CCCNC2)c1,INYAZZNBRYPKEG-UHFFFAOYSA-N
-rxn:5:196789:223138:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(C3CCNCC3)c2)ccc1N1CCOCC1=O,GMPXHVUIVCSXFM-UHFFFAOYSA-N
-rxn:5:196858:222956:226686,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2c(C)cnn2C2CCCCO2)c(C2CCCNC2)c1,FTQAXEONOHUSFR-UHFFFAOYSA-N
-rxn:5:196858:222988:225881,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCOCC3)nc2F)cc(C2CCNCC2)n1,RJHFXPJKSWSLLI-UHFFFAOYSA-N
-rxn:5:196858:223064:222960,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,FTLKNJZJHPSPRN-UHFFFAOYSA-N
-rxn:5:196859:222986:223063,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2cc(F)nc(C3CCNCC3)c2)cc(C2CCCNC2)n1,RQKRSZQXHWOFPM-UHFFFAOYSA-N
-rxn:5:196873:225823:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(N2CCOCC2)ccc1-c1cc(C(C)C)cc(C(F)(F)F)c1,LYLYJQIXKFKZLY-UHFFFAOYSA-N
-rxn:5:196873:225982:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(N2CCOCC2)ccc1-c1cnc(N2CCOCC2)cc1F,UXUPPURUGYIKBU-UHFFFAOYSA-N
-rxn:5:196916:226679:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCCC2=O)c(-c2cnc(N3CCCC3)cc2F)c1,PBYPXKUJBUUNOG-UHFFFAOYSA-N
-rxn:5:196917:225987:223131,CC1(C)COC(c2cc(-c3ccc(N4CCNCC4)cc3)ccc2-c2ccc(N3CCCS3(=O)=O)cc2)=N1,HEICDZSULOJVRK-UHFFFAOYSA-N
-rxn:5:196922:225636:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(N2CCCCC2=O)c1,WLPYSCSIJGZCSY-UHFFFAOYSA-N
-rxn:5:196923:225833:223173,O=C1CCCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,AZKYUUCOOHPLSG-UHFFFAOYSA-N
-rxn:5:196969:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cncc(C2CCCNC2)c1,UWNPVLQJPLKLEJ-UHFFFAOYSA-N
-rxn:5:196969:225683:222960,Cc1cc(-c2cc(C3CCCCC3)ncc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCNCC2)c1,XICCDPGSUVKDBE-UHFFFAOYSA-N
-rxn:5:196970:223062:222959,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cnc(C3CCNCC3)cc2F)ccc1C1CCNCC1,FKRAOXKJXHASEN-UHFFFAOYSA-N
-rxn:5:196970:226652:223063,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2cc(F)nc(C3CCNCC3)c2)n(C2CCCCO2)n1,QYCLQCVOTNGGOQ-UHFFFAOYSA-N
-rxn:5:196971:223063:226652,Cc1cc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ncc2C2CCCCC2)n(C2CCCCO2)n1,FAUVEACBUQCWKZ-UHFFFAOYSA-N
-rxn:5:196971:226415:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2N2CCOCC2)ncc1C1CCCCC1,FISYIJCVLHGFND-UHFFFAOYSA-N
-rxn:5:196971:226427:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(N3CCC(C)CC3)cs2)ncc1C1CCCCC1,UIHOBPVBCPGKLK-UHFFFAOYSA-N
-rxn:5:196979:225924:225634,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cnc(N3CCCCC3)c(C)c2)cc(N2CCCCC2)c1,VWSNEYGFAPHFHM-UHFFFAOYSA-N
-rxn:5:196979:225925:225634,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2cnc(N3CCCCC3)c(C)c2)cc(N2CCCCC2)c1,HFLAPVUBBQDBJR-UHFFFAOYSA-N
-rxn:5:197876:223113:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,DVLUWHKTNVSCTO-UHFFFAOYSA-N
-rxn:5:197876:227319:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(CC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WFFDQRGELRJMTI-UHFFFAOYSA-N
-rxn:5:199279:225448:225584,Cc1ccc(OC2CCCC2)c(-c2cc(-c3ccc(C(=O)N4CCCC4)cc3)cc3c2CCN(C)C3=O)c1,KZOBFRDNNWOLAE-UHFFFAOYSA-N
-rxn:5:225454:193866:223397,CN1CC=C(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3ccc4c(c3)CCN4)cc2)CC1,FUUUNRLAZCHNLY-UHFFFAOYSA-N
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-rxn:5:225832:181628:223001,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCNC3)ccc2F)c(C2OCCO2)c1,JCPMHYUNJSLHBR-UHFFFAOYSA-N
-rxn:5:225832:181908:227611,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccnn2C2CCCCO2)cc1C1OCCO1,RACFZFGOHILFRR-UHFFFAOYSA-N
-rxn:5:225832:196408:223061,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1C1=NOCCO1,FWXKWQSQSOYMQG-UHFFFAOYSA-N
-rxn:5:225832:196667:222996,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCC2)ccnc1-c1ccc(F)cc1C1CCCNC1,SPCPXGTYPFINNN-UHFFFAOYSA-N
-rxn:5:225832:196669:223056,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCC2)cc1-c1ccc(N2CCC(O)CC2)nc1,AKZZDRWDNSGRSC-UHFFFAOYSA-N
-rxn:5:225832:196969:227613,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cnn(C2CCOCC2)c1,JXGXUGXWQRANDT-UHFFFAOYSA-N
-rxn:5:225833:196859:222986,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccnc(N3CCCCC3)c2F)cc(C2CCCNC2)n1,ZZNBUFCJQGUFPD-UHFFFAOYSA-N
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-rxn:5:226068:178295:228777,COC(=O)C1(c2cc(-c3ccc(OC)cc3F)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,QPYOOUAKHYCGJJ-UHFFFAOYSA-N
-rxn:5:226069:178295:226070,COC(=O)C1(c2cc(-c3ccc4c(ccn4C(C)C)c3)ccc2-c2cccc(C3CCCCC3)c2)CCC(=O)CC1,AAWCNJNNLOFJRI-UHFFFAOYSA-N
-rxn:5:226085:190833:228510,CC(C)c1ccccc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c2c1CN(C(=O)OC(C)(C)C)C2=O,VSZVTSIUQZULSV-UHFFFAOYSA-N
-rxn:5:226129:190194:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(CN3CCCC3)c2)cc(F)c1OC,HJRXKPDIVDAERI-UHFFFAOYSA-N
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-rxn:5:226177:178368:226414,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4=NCCCO4)cc3)c(C)c2)c(C)cc1-c1ccnc(C2CCCCC2)c1,OAXFXTJZJGESBT-UHFFFAOYSA-N
-rxn:5:226181:193870:228079,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2COC3=O)cc1-c1ccc(C2=CCCCC2)nc1,ZBNNZEZQCYNNQC-UHFFFAOYSA-N
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-rxn:5:226183:190194:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cnccc2C2CCCCC2)c1OC,LYBAPILEMJEGLY-UHFFFAOYSA-N
-rxn:5:226324:180022:223062,COc1c(-c2cnc(C3CCNCC3)cc2F)ccc(-c2cccnc2OC2CCCC2)c1C1OCCO1,KSDJHOBJRZUADP-UHFFFAOYSA-N
-rxn:5:226366:193870:228176,COCc1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1F,HPEULXKMWPTDOS-UHFFFAOYSA-N
-rxn:5:226366:193870:228255,COc1c(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)ccc(C)c1F,XQGUMJBPNRCEFJ-UHFFFAOYSA-N
-rxn:5:226464:189665:225672,COc1ccc2c(c1-c1cnc(OCC3CCOCC3)c(-c3cc(F)nc(C4CCCCC4)c3)c1)OCCO2,DWIXSSSUAAUZIM-UHFFFAOYSA-N
-rxn:5:226580:178295:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WRMRPIVDSRYLGS-UHFFFAOYSA-N
-rxn:5:226652:196858:226686,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2c(C)cnn2C2CCCCO2)n(C2CCCCO2)n1,UCIWRNJSWZWEHD-UHFFFAOYSA-N
-rxn:5:226658:193869:228078,Cc1cc(-c2ccc(N3CCCC3)nc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)COC2=O,JMGUWVCEOAZELY-UHFFFAOYSA-N
-rxn:5:226658:193869:228079,Cc1cc(-c2ccc(N3CCCC3)nc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc2c1COC2=O,MXVMMTWUAMNFIL-UHFFFAOYSA-N
-rxn:5:226658:193870:228064,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)C(=O)CC3)cc1-c1ccc(N2CCCC2)nc1F,YSQLVUABXJHPDG-UHFFFAOYSA-N
-rxn:5:226686:181908:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2c(C)cnn2C2CCCCO2)c(C2CCCNC2)c1,UODUUDYUGFGSQV-UHFFFAOYSA-N
-rxn:5:226910:190998:226140,CCC(C)(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4cc(C(C)(C)C)ccc4OC)cc2C(=O)OC)C(=O)CO3)cc1,LITBELQCTSXREH-UHFFFAOYSA-N
-rxn:5:226914:178295:227942,CCc1ccc(-c2ccc(-c3ccc(CC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,DOPCYAMSNKGCIF-UHFFFAOYSA-N
-rxn:5:226916:178295:227810,CCC(C)c1ccc(-c2ccc(-c3cccc(C4=CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,SYRIHOFCUTYDQT-UHFFFAOYSA-N
-rxn:5:226968:178295:228393,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3OC)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,BEXHCHLWUMCKPE-UHFFFAOYSA-N
-rxn:5:226968:193869:227376,Cc1cc(-c2ccc3c(c2)OC(C)(C)C3)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCCC2)c1,PLVANOUAKPMZFD-UHFFFAOYSA-N
-rxn:5:227043:178295:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(OC(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IAILESKIIQVXAC-UHFFFAOYSA-N
-rxn:5:227052:178295:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WBEJQADORQNNES-UHFFFAOYSA-N
-rxn:5:227052:178295:228267,COC(=O)C1(c2cc(-c3c(F)ccc(C)c3OC)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,HLGCENVXOUHIQN-UHFFFAOYSA-N
-rxn:5:227052:178295:228416,COC(=O)C1(c2cc(-c3c(F)cc(F)cc3OC)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,NSBXJIWRPJHNDZ-UHFFFAOYSA-N
-rxn:5:227052:190833:226914,Cc1cc(CC(C)C)ccc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,VVLGUCZJIAEVHC-UHFFFAOYSA-N
-rxn:5:227068:178295:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2ccc(CC(C)C)cc2F)CCC(=O)CC1,XAQFKTWSYZIOOP-UHFFFAOYSA-N
-rxn:5:227069:178295:228227,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,ZSDBIQSQWYOEQH-UHFFFAOYSA-N
-rxn:5:227071:178295:227828,COCc1cc(C)c(-c2ccc(-c3cccc(C4CC4)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,QNXVXLUJYVJBOI-UHFFFAOYSA-N
-rxn:5:227071:178295:228276,COCc1cc(C)c(-c2ccc(-c3ccc(F)c(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,ULRKMVJVCMCVGN-UHFFFAOYSA-N
-rxn:5:227076:178295:228235,CCC(C)c1ccc(F)c(-c2ccc(-c3ccnc(F)c3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NFECRZJMUWTMOI-UHFFFAOYSA-N
-rxn:5:227084:178295:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc(C(C)(C)C)nc2C)CCC(=O)CC1,PWHUANXMCGWPLK-UHFFFAOYSA-N
-rxn:5:227089:180422:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccncc1C1CCCC1,IAHBUSIXMOWIKC-UHFFFAOYSA-N
-rxn:5:227092:180662:225499,COC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)cc3F)cc(-c3ccc(C4CCC4)nc3C)c2OC1,BVDPZSLAZSKLAJ-UHFFFAOYSA-N
-rxn:5:227102:178295:227309,CCC(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,VNYNEPQUXWHAIA-UHFFFAOYSA-N
-rxn:5:227103:196858:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1sccc1C1CCCCC1,QOLXGRZUWZAPJJ-UHFFFAOYSA-N
-rxn:5:227206:178295:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,DRSJENXMXUJTJC-UHFFFAOYSA-N
-rxn:5:227288:178295:227906,CCC(C)c1ncccc1-c1ccc(-c2ccccc2C(=O)N(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,QQMHLCRJTJREKB-UHFFFAOYSA-N
-rxn:5:227312:178295:228222,CCC(C)c1ccc(-c2ccc(-c3cc(F)nc(C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,YPLRKQGJRYYOHU-UHFFFAOYSA-N
-rxn:5:227312:190998:227048,CCC(C)c1ccc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(C(=O)C(C)C)cc4)cc2C(=O)OC)C(=O)CO3)c(F)n1,MGPTWIYXEWHNEU-UHFFFAOYSA-N
-rxn:5:227387:193972:228138,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(CC#N)c(F)c1,CSHBEZGSEQAYSP-UHFFFAOYSA-N
-rxn:5:227525:178295:227920,CCC(=O)c1ccc(-c2ccc(-c3cc(C(F)F)ncc3CC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,RKYYXWNNMLUKSD-UHFFFAOYSA-N
-rxn:5:227529:178295:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,JGAHDAOPFVDMSY-UHFFFAOYSA-N
-rxn:5:227542:178295:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(F)cc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AVCADKVHEONNIR-UHFFFAOYSA-N
-rxn:5:227548:178295:227932,CCOc1ccc(F)c(F)c1-c1ccc(-c2cc(COC)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,HYONEGQCQJJDPG-UHFFFAOYSA-N
-rxn:5:227558:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(OC(F)F)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,HMEHGUXMGLCENH-UHFFFAOYSA-N
-rxn:5:227562:190194:226067,COc1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3=CCCCC3)cc2)c1OC,RCCUAOBWZWNZKI-UHFFFAOYSA-N
-rxn:5:227562:190194:226069,COc1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(C3CCCCC3)c2)c1OC,WVYUKKGNZMRUMG-UHFFFAOYSA-N
-rxn:5:227568:178118:225671,COc1cc(F)c(-c2ccc(-c3cc(C4CCCCC4)ncc3F)cc2OCC2CCCCO2)c(OC)c1,ZQRLZPBJYNNREN-UHFFFAOYSA-N
-rxn:5:227568:178295:228013,COC(=O)C1(c2cc(-c3ccc(F)c(C4CC4)c3)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,HJAMIPVHCLOGNP-UHFFFAOYSA-N
-rxn:5:227591:178295:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,LXWPVVKZUJGUMA-UHFFFAOYSA-N
-rxn:5:227592:178295:228431,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3SC)ccc2-c2cc(F)cc(OC)c2OC)CCC(=O)CC1,HGJCZFHFEGACML-UHFFFAOYSA-N
-rxn:5:227807:178295:226582,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3F)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,YVCCVLRHBSWSGW-UHFFFAOYSA-N
-rxn:5:227808:178295:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,QFRYCOYGLCRZAZ-UHFFFAOYSA-N
-rxn:5:227808:178295:227566,COC(=O)C1(c2cc(-c3ccc(OC)c(F)c3OC)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,VLAZTAZMPMTIBX-UHFFFAOYSA-N
-rxn:5:227810:178295:223295,CCC(C)c1ccc(-c2ccc(-c3cncc(NS(C)(=O)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,AAYMCXPWUYTDTF-UHFFFAOYSA-N
-rxn:5:227813:178295:227288,CCc1cccc(CC)c1-c1ccc(-c2ccccc2C(=O)N(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,PIHBQXAVYUKXHR-UHFFFAOYSA-N
-rxn:5:227816:178295:227120,CCCc1ccc(-c2ccc(-c3ccc(C4CCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,OZVGNTZXAFLGSP-UHFFFAOYSA-N
-rxn:5:227818:178295:226068,CCC(C)c1cccc(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HRHBEEUMJGDTAZ-UHFFFAOYSA-N
-rxn:5:227831:178295:227523,CCc1c(C)cc(-c2ccc(-c3cc(C)ncc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,QRMQFVGKBAALQR-UHFFFAOYSA-N
-rxn:5:227860:178295:227075,COC(=O)C1(c2cc(-c3cc(OC)cc(C(C)C)c3)ccc2-c2ccc3c(c2)CCN3C)CCC(=O)CC1,RXJAMSXVOYXPRI-UHFFFAOYSA-N
-rxn:5:227906:178295:226059,CCC(C)c1ncccc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,AOYJIYZIZPACFX-UHFFFAOYSA-N
-rxn:5:227910:178295:227701,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,LLFHAOBFSBPHGF-UHFFFAOYSA-N
-rxn:5:227917:178295:227540,CCc1ccc(OC)c(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WECZFYHOHWNPOE-UHFFFAOYSA-N
-rxn:5:227926:178295:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,YUBOTBRVEGAPIC-UHFFFAOYSA-N
-rxn:5:227932:178295:227107,COCc1ccc(C)c(-c2ccc(-c3cc(C)cc(C4CC4)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FGCVDUHVVJIVJB-UHFFFAOYSA-N
-rxn:5:227933:178295:227328,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)cc(OC(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,FBXNSKPYTSOUJY-UHFFFAOYSA-N
-rxn:5:227941:178295:227674,COCc1cc(C)cc(-c2ccc(-c3cc(C)c(F)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ULPJIWADITZFQP-UHFFFAOYSA-N
-rxn:5:227952:193972:227387,Cc1cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)cc1C#N,FSYJHSXGNXEKQF-UHFFFAOYSA-N
-rxn:5:227977:178295:227569,COC(=O)C1(c2cc(-c3c(OC)ccc(F)c3OC)ccc2-c2cc(C)c(OC)cc2C)CCC(=O)CC1,VXYMMCPFGCQLAA-UHFFFAOYSA-N
-rxn:5:228079:178295:227361,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3OC)ccc2-c2cccc3c2COC3=O)CCC(=O)CC1,ITYANXRYHNBPMR-UHFFFAOYSA-N
-rxn:5:228159:193870:226366,CCOc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccc1F,NPHUZMQZFBNMTK-UHFFFAOYSA-N
-rxn:5:228179:178295:226920,COCc1cc(F)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ITNUBSQAIFOXQS-UHFFFAOYSA-N
-rxn:5:228181:178295:226920,COCc1cc(F)ccc1-c1ccc(-c2cc(C(C)(C)C)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,FAENSUKLJWITDW-UHFFFAOYSA-N
-rxn:5:228256:193972:227387,COc1cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc(C)c1F,WXZOTMTVJQTZPU-UHFFFAOYSA-N
-rxn:5:228257:178295:227361,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3OC)ccc2-c2c(F)cc(C)cc2OC)CCC(=O)CC1,RCSNWGBAIXJASW-UHFFFAOYSA-N
-rxn:5:228258:178295:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,OMETYDXLAOQXQS-UHFFFAOYSA-N
-rxn:5:228259:193972:226366,COc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1F,AHPXNUZZBDBLFA-UHFFFAOYSA-N
-rxn:5:228271:193972:226366,COc1cc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,CPTLSPQGBZLFHT-UHFFFAOYSA-N
-rxn:5:228272:193869:226366,COc1c(C)ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)c1F,OCWCQDAMMNMJOR-UHFFFAOYSA-N
-rxn:5:228275:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2cc(C)cc(F)c2OC)CCC(=O)CC1,GHFLEDRVBGCSSA-UHFFFAOYSA-N
-rxn:5:228283:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2ccc(F)cc2C(C)=O)CCC(=O)CC1,GYEBCXBSAWDBJO-UHFFFAOYSA-N
-rxn:5:228376:193869:226366,Cc1cc(-c2cc(F)c(C#N)c(F)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,IPEWNSWBJMYKME-UHFFFAOYSA-N
-rxn:5:228383:178295:227312,CCC(C)c1ccc(-c2ccc(-c3cnc(C(F)F)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,RARMUZCKLGFZQS-UHFFFAOYSA-N
-rxn:5:228428:178295:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2cc(OC)cc(F)c2F)CCC(=O)CC1,IFPOKQQIMYZBCF-UHFFFAOYSA-N
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-rxn:5:228723:193869:225634,Cc1cc(-c2ccc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)c(C)c1,UGWCAKWOCRPWFD-UHFFFAOYSA-N
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-rxn:5:228885:193870:226662,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCN(C)CC3)s2)cc1-c1cnc(C#N)c(F)c1,JPFPGTJIRCQXRU-UHFFFAOYSA-N
-rxn:5:228885:193972:226338,Cc1cc(-c2cnc(C#N)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(OC2CCCC2)c1,UFZFHQODUXGORG-UHFFFAOYSA-N
-rxn:5:229017:193972:225454,Cc1cnc(C)c(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,JHUAXVBNRPTUQW-UHFFFAOYSA-N
-rxn:5:229026:193972:225632,Cc1cc(-c2cc(C)c(-c3cccc(N4CCN(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)cn1,IMVIAHSQADZZSK-UHFFFAOYSA-N
-rxn:5:229099:193972:225632,Cc1cc(-c2c(C)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(N2CCN(C)CC2)c1,LPXJISRZZLEJGN-UHFFFAOYSA-N
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-rxn:4:173623:224849,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCC4)cc(C4CC4)c3)c(OCC=C(C)C)cc12,CYRFSBKQMKQDQY-UHFFFAOYSA-N
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-rxn:4:173775:222710,CCOC(=O)c1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)ccc1OC(F)(F)F,YXTVYQYRCZYPLP-UHFFFAOYSA-N
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-rxn:4:174100:222639,COC(=O)C(C)(C(=O)OC)c1ccc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1,BXRRVIXZUYUMTH-INIZCTEOSA-N
-rxn:4:174257:224633,COC(=O)c1ccc(OCC2CCCO2)c(-c2cc(CN3CCOCC3)ccc2OC)c1,OBTZAAZXNOLVFQ-UHFFFAOYSA-N
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-rxn:4:174378:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1OCCC1OCCCO1,OZLMRWPTKVLTDF-UHFFFAOYSA-N
-rxn:4:174406:224458,COC(=O)C1(c2ccc(-c3ccc(C(C)N4CCC(C)CC4)cc3)cc2)CC(OC)(OC)C1,RMFPYKGQMVMVAQ-UHFFFAOYSA-N
-rxn:4:174406:225171,COC(=O)C1(c2ccc(-c3cc(F)cc(CN4CCOCC4)c3)cc2)CC(OC)(OC)C1,YIJAOOHZVZNNTC-UHFFFAOYSA-N
-rxn:4:174407:224960,COC(=O)C1(c2cccc(-c3ccc(OC)c(OC4CCCC4)c3)c2)CC(OC)(OC)C1,DKOGAZYSDTYRJU-UHFFFAOYSA-N
-rxn:4:174407:225182,COC(=O)C1(c2cccc(-c3ccnc(OC4CCCCC4)c3Cl)c2)CC(OC)(OC)C1,BCXGZYJNTPKWLZ-UHFFFAOYSA-N
-rxn:4:174492:223607,CC(F)(F)c1ccc(-c2cc(-c3cccc(C(F)(F)F)n3)nc(C(F)(F)F)c2)cc1OCCC1CCCCC1,ICLQRWADMACLQD-UHFFFAOYSA-N
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-rxn:4:174725:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(OCC(F)(F)C(F)F)cc2)CC1,BGTFEAVPRJTPKE-UHFFFAOYSA-N
-rxn:4:174748:222623,CCC(C)c1cc(-c2ccc(OC(F)(F)C(F)C(F)(F)F)cc2)cc(C2CCNCC2)n1,CNZHSBJHFVZHRP-UHFFFAOYSA-N
-rxn:4:175187:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(OCC4CC4)ccc3C(F)F)c2)CC1,OTNFULKUWAXKDM-UHFFFAOYSA-N
-rxn:4:175863:223595,COc1cc(O[Si](C)(C)C)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1OC,RBFGUTZDUZJAHN-UHFFFAOYSA-N
-rxn:4:175867:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(CCOC3CCCCO3)cc1)n2C(=O)OC(C)(C)C,AUFUVAIHXSUXJB-UHFFFAOYSA-N
-rxn:4:175989:224634,COc1ccc(-c2ccc(OCC3CCCCC3)cc2C(F)F)cc1CN1CCOCC1,XEGPCJGYRDPDGF-UHFFFAOYSA-N
-rxn:4:176017:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(C(C)C)c2)cc1,DYKGMTUAXBFRKJ-UHFFFAOYSA-N
-rxn:4:176018:224483,COc1cc(-c2ccc(OCCN3CCCCC3)cc2)c(F)cc1OCC1CCCCC1,BZPJNZBOOJWDNH-UHFFFAOYSA-N
-rxn:4:176132:223653,COc1cc2cc(-c3cc(OCCC4CCCCC4)ccc3C)n(C(=O)OC(C)(C)C)c2cc1Cl,BJKNYMYXYRLCFB-UHFFFAOYSA-N
-rxn:4:176147:222584,O=S(=O)(Oc1ccc(C2SCCCS2)cc1)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,SQLOXQMNJXVQPC-UHFFFAOYSA-N
-rxn:4:176828:223559,COC(=O)c1cc(SC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,VFFWHYVAIWXQBO-UHFFFAOYSA-N
-rxn:4:177990:222546,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(OCCNC2CCCCC2)c(F)c1,XEMNPWBWPHIQCJ-UHFFFAOYSA-N
-rxn:4:178025:223712,COc1ccc(-c2cc(C3OCCO3)cc(OC)c2OC)cc1C12CC3CC(CC(C3)C1)C2,BBOSDNLQOPWKGW-UHFFFAOYSA-N
-rxn:4:178317:223606,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,OADLDZIYZBMALE-UHFFFAOYSA-N
-rxn:4:178381:224904,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(C(=O)C3CCCCC3)cc2)c(C(C)(C)C)c1,XUCNMTXVUBEOML-UHFFFAOYSA-N
-rxn:4:178382:223690,COC(=O)c1cc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cn1S(=O)(=O)c1ccc(C)cc1,RFTDHGJVBPWKJU-UHFFFAOYSA-N
-rxn:4:178384:223165,CC(=O)Nc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c1C,GHYWRWBNDYIRCQ-UHFFFAOYSA-N
-rxn:4:178384:225911,COC(=O)c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)cc1OC,NJEKRFBMACTUPI-UHFFFAOYSA-N
-rxn:4:178384:226242,CCCCOc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,CJLKNWMFTYLEQE-UHFFFAOYSA-N
-rxn:4:178384:226267,COCCOc1ccc(C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WLLHGTDKTCQWMZ-UHFFFAOYSA-N
-rxn:4:178384:228912,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1Cl,VDUDOVWFDVAYHO-UHFFFAOYSA-N
-rxn:4:178588:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc1,HEWSQEUXHIFXLG-UHFFFAOYSA-N
-rxn:4:178597:222855,COc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCCNC2)c1,VMTPNHGXXFWJSA-UHFFFAOYSA-N
-rxn:4:178597:228203,CC(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)n1,SPCVIMQJCIDXDI-UHFFFAOYSA-N
-rxn:4:178597:228257,COc1cc(C)cc(F)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,POIXKIJEPASVCG-UHFFFAOYSA-N
-rxn:4:179841:223504,CC(=O)C1CC1c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1F,SFKDPVRMBYPHNP-UHFFFAOYSA-N
-rxn:4:179899:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2c(C3OCCO3)cccc2C(F)(F)F)CC1,DRIMTZMPLOBPFK-UHFFFAOYSA-N
-rxn:4:180291:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)cc3C3OCCCO3)c(F)c2)CC1,BHDJYNBZKKNJTO-MEMLXQNLSA-N
-rxn:4:180344:222389,Fc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OC1CCCCC1,ILBFSUFZEJJZLG-UHFFFAOYSA-N
-rxn:4:180438:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C4COCCO4)c(C4CC4)c3)c2)C1,XYYMPKUBKNFGMQ-UHFFFAOYSA-N
-rxn:4:180792:225320,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc1C2=O,RQNSMJWCJMUEQE-UHFFFAOYSA-N
-rxn:4:180855:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c2)C1,RKYQOXNIMLJOTO-UHFFFAOYSA-N
-rxn:4:180856:223903,CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3ccccc3CCC(=O)N3CCC(=O)CC3)cccc21,YYPQUKQTFSZRDG-UHFFFAOYSA-N
-rxn:4:181029:223606,O=S(=O)(c1ccc(-c2c(F)cc(F)cc2C(F)(F)F)cc1F)N1CCC2(CC1)OCCO2,MZHMJPSFHMLUBW-UHFFFAOYSA-N
-rxn:4:182179:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc4c(c3)CC(C(F)(F)F)C4=O)c2)C1,RCXOYGYETJUTTD-UHFFFAOYSA-N
-rxn:4:182347:224426,CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c2C1,VMSDOPDRZYRJMN-UHFFFAOYSA-N
-rxn:4:182367:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)cc1,UNFGFUNIGMENDR-UHFFFAOYSA-N
-rxn:4:182372:224420,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc1C2=O,PCRTWDFUNUWYQC-SLEJYSNSSA-N
-rxn:4:182376:224842,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3C2=O)C[C@@H]1C,AUWWSBTYIFGZNS-QMEWRSTKSA-N
-rxn:4:182376:225228,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3C2=O)C[C@@H]1C,HBFKXTQRIKBIPB-CCMMMYSXSA-N
-rxn:4:182376:225437,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(CN5CCCCC5)c4)cc3C2=O)C[C@@H]1C,LRWPLSSMPHCJBF-RSQCUOPESA-N
-rxn:4:183068:223490,Cc1ccc(-c2ccc(F)c3c2CC(C)C3=O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MDDJDVRYRVCULY-UHFFFAOYSA-N
-rxn:4:183525:222921,CCOC(=O)Cc1ccc(C(F)(F)F)c(-c2ccc(S(=O)(=O)NC(C)C)cc2C)c1C#N,QVRCHRNGIIOUJK-UHFFFAOYSA-N
-rxn:4:183532:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(C#N)c(CC(=O)OCC)c1C(F)(F)F,QTULZHJKXHIYEX-UHFFFAOYSA-N
-rxn:4:183669:222648,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cc(NC(=O)OC(C)(C)C)c(C)cc3C)o2)C1,MIDIHIANWAMSRM-UHFFFAOYSA-N
-rxn:4:183704:226284,CC(C)COc1cc(Cl)cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)c1,AKHXAPSDMWESHV-SFHVURJKSA-N
-rxn:4:183796:224842,COC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1N(C)C(=O)OC(C)(C)C,MVSNWOPRDPYZON-UHFFFAOYSA-N
-rxn:4:183799:224391,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1,NCLXEBQVFYIXTD-UHFFFAOYSA-N
-rxn:4:183862:225498,COC(=O)CN1CCC(COc2ccc(-c3cc(C4CCCCC4)ccc3F)cc2)CC1,ROBNSLTYQMPFKG-UHFFFAOYSA-N
-rxn:4:183901:223886,CCN(Cc1cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc(C)c1F)C(=O)OC(C)(C)C,YFKRAWSKITUZOD-UHFFFAOYSA-N
-rxn:4:183903:222612,CC(C)(C)OC(=O)Oc1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cnc1C#C[Si](C)(C)C,UBHPYIVTITWIKZ-UHFFFAOYSA-N
-rxn:4:183970:224167,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)ccc2OC)CC1,KXPGCXUXIOGSLW-UHFFFAOYSA-N
-rxn:4:183983:222745,Cc1ccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,MTLJQWLMUQGMJB-UHFFFAOYSA-N
-rxn:4:183989:224060,COc1c(C(C)(C)C)cc(-c2cc(F)cc(F)c2CC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C(C)(C)C,RHVSLOWQZDJFBJ-SANMLTNESA-N
-rxn:4:184006:223227,COc1ccc(C(=O)N(c2ccc(-c3ccc(C(C)NC4CC4)s3)cc2)C2C=CS(=O)(=O)C2)cc1OC,FITLFQXITYTWTE-UHFFFAOYSA-N
-rxn:4:184032:226497,CCN(CC)c1cc(-c2cc(F)cc(OCC3CCCCN3C(=O)OC(C)(C)C)c2)cnc1Cl,SZLLECRONIHDKU-UHFFFAOYSA-N
-rxn:4:184061:225206,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(c3ccc(-c4cc(C(F)(F)F)c(C)cc4C4CC4)cc3)C2)cc1,YUDWJIUTCQGYMM-UHFFFAOYSA-N
-rxn:4:184065:223922,CN(C(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)ccc1Cl)C1CCCCC1,GNGXWCLXTGEFBV-UHFFFAOYSA-N
-rxn:4:184087:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)C2CCS(=O)(=O)C2)o1,KNCCJXXCNZUPGA-UHFFFAOYSA-N
-rxn:4:184099:223780,CC(c1ccc(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,ONIKLQSPGLHFFZ-UHFFFAOYSA-N
-rxn:4:184187:222670,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cccc(C(=O)Nc4ccccc4Cl)c3)ccc2S1(=O)=O,CIJRFHRTKDJBGA-UHFFFAOYSA-N
-rxn:4:184218:226533,CCOC(=O)c1cc(F)ccc1-c1ccc2c(C)c(C(=O)N(Cc3cccc(OC)c3)C3CCS(=O)(=O)C3)oc2c1,OFWHSHRPIUOXKN-UHFFFAOYSA-N
-rxn:4:184223:223929,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc3)nc3ccc(C)cc23)cc1,IITLZDNXNKPIOL-UHFFFAOYSA-N
-rxn:4:184421:224363,CCOC(=O)c1c(C#N)cc(-c2cc(OC)cc(S(=O)(=O)N(CC)CC)c2)cc1C(F)F,TXHNIHNLFOSZFK-UHFFFAOYSA-N
-rxn:4:184688:224247,CC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3OCC(=O)N(C)C)c(F)c2)CC1,KOOQJDQZMLPICM-UHFFFAOYSA-N
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-rxn:4:184737:222623,CCC(C)c1cc(-c2ccc(CC(=O)N3CCC3)c(OC(F)(F)F)c2)cc(C2CCNCC2)n1,KXWXIEOAWQJVMB-UHFFFAOYSA-N
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-rxn:4:189857:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(C2(C(=O)N3CC(F)(F)C3)CC2)c1,AAWBHELBJSULAS-UHFFFAOYSA-N
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-rxn:4:190170:225005,CC(c1cccc(-c2ccc(C(F)(F)F)cc2CN2CCC(F)(F)CC2)c1)N1CCOCC1,FMVUDLWBWMHBTE-UHFFFAOYSA-N
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-rxn:4:190433:226181,Cc1cc(-c2ccc(C3=CCCCC3)nc2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,PMPLDYMTZJQPAZ-UHFFFAOYSA-N
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-rxn:4:190492:222824,Cc1cc(F)c(-c2ccc(CN3[C@@H](C)CCC(c4ccccc4)S3(=O)=O)c(F)c2)cc1S(=O)(=O)NC(C)C,RADGPAYXXKXFKI-SVQMELKDSA-N
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-rxn:4:190830:222722,CC(C)(C)OC(=O)N1Cc2cccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2C1=O,PUOXJZHYXANLIB-UHFFFAOYSA-N
-rxn:4:190870:222782,Cc1cc(-c2ccc3c(c2)OCC(=O)N3C(=O)OC(C)(C)C)cnc1NC(=O)OC(C)(C)C,OMJJNLNFENHNLR-UHFFFAOYSA-N
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-rxn:4:190933:222932,COCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3=O)cc1,JZYHNQQOOMNFHF-UHFFFAOYSA-N
-rxn:4:190985:224009,COc1ccc(-c2cccc(C(=O)N3C4CCC3CC(OC)C4)c2)cc1S(=O)(=O)N1CCOCC1,DQVFQHXNVQEXSV-UHFFFAOYSA-N
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-rxn:4:191008:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2(C)C,JMOKXCCVGUIDRV-UHFFFAOYSA-N
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-rxn:4:191062:226590,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCOC2)nc1,DJJUBHKMXSNGGK-UHFFFAOYSA-N
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-rxn:4:201991:224426,Cc1c(-c2cc(C3CCCCC3)cc(C3CC3)c2)ccc(OCCN2CCN(C)CC2)c1Cl,RUSOOQPVWBBVPM-UHFFFAOYSA-N
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-rxn:4:202346:222448,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cc(C(=O)NCc5ccccc5)cc([N+](=O)[O-])c4)cc3)=NC23CCCCCC3)cc1,CAZVOYLPJCTABE-UHFFFAOYSA-N
-rxn:4:202387:223952,CCOC(=O)c1c(C(F)(F)F)[nH]c2nc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)ccc12,OIDLUTLHLTVSDO-UHFFFAOYSA-N
-rxn:4:202518:223080,CC(C)NS(=O)(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1,WNVWYGCYHUJADA-IBGZPJMESA-N
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-rxn:4:202584:223520,CC(c1ccc(-c2ccc(-n3c(SCc4cccc(F)c4)nc4c(c3=O)SCC4)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,BLWCPPCBDVUWAM-UHFFFAOYSA-N
-rxn:4:202654:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1F,QEUFOVGSVDXTSU-UHFFFAOYSA-N
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-rxn:4:202731:222447,COc1ccc2c(c1-c1cccnc1OC1CCN(C(=O)C3Oc4ccccc4OC3C)CC1)N=C(NC(=O)OC(C)(C)C)C2,OATBPVXHAJQENB-UHFFFAOYSA-N
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-rxn:4:202800:223413,CC#Cc1cc2c(c(F)c1-c1cncc3[nH]ccc13)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,HJUCBSQXDSPJKV-LJQANCHMSA-N
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-rxn:4:203708:222724,O=C(c1ccccc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,PPPJNJFHYKBNMC-UHFFFAOYSA-N
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-rxn:4:203708:225191,O=C(c1ccccc1-c1cnc(OC2CCCCC2)cc1F)N1CC(N2C(=O)COC2=O)C1,GCTFXJCWBCWYGB-UHFFFAOYSA-N
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-rxn:4:203756:225639,CC1CCN(c2ncccc2-c2cncc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c2)CC1,SYACFXMFWXPLBU-UHFFFAOYSA-N
-rxn:4:203757:225639,CC1CCN(c2ncccc2-c2cncc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)CC1,JCVWDQQAXALVAX-UHFFFAOYSA-N
-rxn:4:203778:222606,CN1CCN(c2cc(OC(F)(F)F)cc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)c2)CC1,BSUDDVJEYSQXER-UHFFFAOYSA-N
-rxn:4:203835:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=NN(S(C)(=O)=O)C(c5ccco5)C4)cc3)cc2)CC1,KNLPVWGQHGNVSY-UHFFFAOYSA-N
-rxn:4:203884:222804,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(NC4CCS(=O)(=O)CC4)cc3)cc2)CC1,BQAOVEPECYIJIG-UHFFFAOYSA-N
-rxn:4:203887:222724,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,BMQFXHKXPHAXNC-UHFFFAOYSA-N
-rxn:4:203897:224325,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,GBBDYVZDHGTWOJ-UHFFFAOYSA-N
-rxn:4:203937:222398,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)ccc1NC(=O)NC1CC1,OWPQCZPESWNUCC-UHFFFAOYSA-N
-rxn:4:203942:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cc(C=C3C(=O)N(C)C(=S)N3C)c(OC)cc2OC)c1,NTWOTJBMNJIJPK-UHFFFAOYSA-N
-rxn:4:204000:222538,CCN1CCN(Cc2cc(C)cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)CC1,FZTYYINMHHBHDO-UHFFFAOYSA-N
-rxn:4:204025:225223,CC1CCN(c2cc(F)c(-c3ccc(CN4CCN(C)CC4)c(S(C)(=O)=O)c3)cn2)CC1,CFQSJIGQNIAGFH-UHFFFAOYSA-N
-rxn:4:204025:225320,CN1CCN(Cc2ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc2S(C)(=O)=O)CC1,WUTYNFMREZEANK-UHFFFAOYSA-N
-rxn:4:204026:225223,CC1CCN(c2cc(F)c(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)cn2)CC1,WRGKURBMFGVNHZ-UHFFFAOYSA-N
-rxn:4:204026:225227,CC1CCN(c2ncc(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)cc2Cl)CC1,IAHADHQUKMTUMY-UHFFFAOYSA-N
-rxn:4:204029:225226,CC1CCN(c2cc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4C)cc3)c(F)cn2)CC1,AKIVQNFCPHOCRT-UHFFFAOYSA-N
-rxn:4:204117:224283,CC(C)(C)Oc1ncc(-c2cccc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c(OC(C)(C)C)n1,LBBYUDPXNBWWNJ-UHFFFAOYSA-N
-rxn:4:204124:223502,Cc1ccccc1C1CCN(C(=O)c2cncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)CCS1,PPPFURSBKOEQKA-UHFFFAOYSA-N
-rxn:4:204159:225047,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cnc(N2CCC(C)CC2)c(C)c1,TWEUAAQUXSKDHL-UHFFFAOYSA-N
-rxn:4:204172:227390,CC1CCN(Cc2ccc(-c3ccnn3C3CCCCC3)cc2N2CCCCC2)CC1,JTVJUEOWBHQELX-UHFFFAOYSA-N
-rxn:4:204173:225232,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(Cl)c(N2CCC(C)CC2)c1,HXBGOXVHZTYNMD-UHFFFAOYSA-N
-rxn:4:204180:225979,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cnc(N5CCOCC5)c(Cl)c4)c(C)cc3C)CC2)c(C)c1,WEZSVFSVVPHHBK-UHFFFAOYSA-N
-rxn:4:204182:225859,Cc1cc(-c2cnc(N3CCCCC3)c(Cl)c2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,LWXDQAOKASUJBA-UHFFFAOYSA-N
-rxn:4:204552:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccnc3c2OCCN3C(=O)OC(C)(C)C)c1,YMTNASOVIBWIKX-UHFFFAOYSA-N
-rxn:4:204601:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,MBGVVNLJIJQNHC-UHFFFAOYSA-N
-rxn:4:204648:222604,COc1ccc(-c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)o2)cc1S(=O)(=O)NC1CCCC1,ZYPSIJFMZYMZFM-UHFFFAOYSA-N
-rxn:4:204658:223583,CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3cn(C(=O)OC(C)(C)C)c4cc(C(=O)OC)ccc34)ccc21,SRMSFWRBRSLYKD-UHFFFAOYSA-N
-rxn:4:204681:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)c1,ZORCQUWQGIYUOB-KRWDZBQOSA-N
-rxn:4:204682:224793,Cc1cc2c(c(-c3cc(C(F)(F)F)cnc3OCC(C)C)n1)CN(C(=O)OC(C)(C)C)CC2,VDSRMHCCBCWRIK-UHFFFAOYSA-N
-rxn:4:204683:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)cnc21,UPAUMCLIYHVSDT-UHFFFAOYSA-N
-rxn:4:204691:224194,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(CN4CCN(CC)CC4)c(Cl)c3)ccc21,OFNMNYIJTAVOEV-UHFFFAOYSA-N
-rxn:4:204712:222722,O=C(c1ccccc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1)N1CC(N2CCc3sccc3C2)C1,APACSMNMJXJACM-UHFFFAOYSA-N
-rxn:4:204753:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(N4C(=NC(=O)c5ccccc5)SC5CS(=O)(=O)CC54)cc3)cnc21,BLOBSWNPTIUYKA-UHFFFAOYSA-N
-rxn:4:204799:223168,O=C(C1=CN(c2ccc(-c3cccnc3N3CCNCC3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,ABDHZCPDWIUPPJ-UHFFFAOYSA-N
-rxn:4:204804:227092,Cc1nc(C2CCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,HCDLWQMKTWHVFK-UHFFFAOYSA-N
-rxn:4:204804:227961,Cc1nc(C2CC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2,TZPDUGDOFOSIBF-UHFFFAOYSA-N
-rxn:4:204835:222693,O=C(C1=CN(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,AZODCVRYEJZZNR-UHFFFAOYSA-N
-rxn:4:204860:225376,COc1ccc(-c2cc(F)c(F)c(OCC(F)(F)F)c2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,UYCDDECQGBNRFL-UHFFFAOYSA-N
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-rxn:4:206444:222584,O=C(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1Cl)N1CCOCC1,GVLKZNFRXYJNKF-UHFFFAOYSA-N
-rxn:4:206610:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(F)c(C(=O)N4CCCCC4)c3)c3ccccc23)CC1,KJHWIKLOBOENQZ-UHFFFAOYSA-N
-rxn:4:206669:222465,COc1nc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cn1C1CCCCC1,QKZRXBAKCKPYKB-UHFFFAOYSA-N
-rxn:4:206670:222465,COc1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)n1C1CCCCC1,OMMOJBVRLFTETR-UHFFFAOYSA-N
-rxn:4:206739:223970,Cc1ccc(-c2cnccc2N2CCCC(C(F)(F)F)C2)cc1S(=O)(=O)N1CCC(C)CC1,OGXAETBDGSVSOY-UHFFFAOYSA-N
-rxn:4:206745:224590,CC1CCN(Cc2ccc(-c3cccc(N4CCC(F)(F)CC4)c3[N+](=O)[O-])c(F)c2)CC1,LIPBNDKZVWVJGU-UHFFFAOYSA-N
-rxn:4:206759:223993,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(Cl)c2)ccc1S(=O)(=O)N1CCN(C)CC1,DMBPQKPRQVPTDS-UHFFFAOYSA-N
-rxn:4:206807:225212,CN1CCN(c2cc(F)cc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c2)CC1,ABPBMFXTPLMEQU-UHFFFAOYSA-N
-rxn:4:206910:223841,CCN1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)c2)CC1,VGKTYBXHQVCTOP-UHFFFAOYSA-N
-rxn:4:206935:222466,CCN1CCN(c2cc(F)cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,OZPSZHOKXCLBGV-UHFFFAOYSA-N
-rxn:4:206944:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cn3)c2)CC1,ZBBZKLXQOSWMSZ-UHFFFAOYSA-N
-rxn:4:206982:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1,GXODLMGNXQJWTN-UHFFFAOYSA-N
-rxn:4:206992:224192,CCN1CCN(Cc2ccc(F)cc2-c2cncc(C(=O)N3CCC4(CC3)CC4(F)F)c2)CC1,UOIBCIAXAVJIMY-UHFFFAOYSA-N
-rxn:4:207016:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2C(C)CCCC2C)c1,YWSBHTREDCHMAU-UHFFFAOYSA-N
-rxn:4:207060:222705,CN1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)cc2)CC1,JGQRGMZIWWQVEE-UHFFFAOYSA-N
-rxn:4:207081:223028,CCCNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)c1,QCVZWQLZTMTRCN-UHFFFAOYSA-N
-rxn:4:207081:225518,CCCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,MTKPSWCFOPIAQE-UHFFFAOYSA-N
-rxn:4:207085:225051,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(N2CCCC(C)C2)c1,PTHZFYHLKSREEX-UHFFFAOYSA-N
-rxn:4:207085:225212,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(N2CCN(C)CC2)c1,HERWHHWKFLUKKC-UHFFFAOYSA-N
-rxn:4:207091:222822,Cc1cc(F)c(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)cc1S(=O)(=O)NC1CC1,XOQPDSGGJGAYTJ-UHFFFAOYSA-N
-rxn:4:207795:224818,O=C(c1cncc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c1)N1C2CCC1CC(=C1CC1)C2,SCMSVUJCUANHAF-UHFFFAOYSA-N
-rxn:4:207856:225639,CC1CCN(c2ncccc2-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)CC1,MXGGCPNJTHJJMS-UHFFFAOYSA-N
-rxn:4:207890:224589,Cc1c(-c2ccc(F)cc2CN2CCC(C)CC2)cnn1CC12CC3CC(CC(C3)C1)C2,ODFAQBISPBTSEH-UHFFFAOYSA-N
-rxn:4:207959:225394,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCC5)cc(C5CC5)c4)ccc2OC3C2CCCCC2)cc1,BVHFKBZANGWJDH-UHFFFAOYSA-N
-rxn:4:207965:227684,COc1ccc(C2=NN3C(C2)c2cc(-c4cnn(CC5OCCO5)c4)ccc2OC32CCC(C)CC2)cc1,WPIODUROKGKJFY-UHFFFAOYSA-N
-rxn:4:209865:223492,Cc1cc(-c2cncc(N3CCCC(C)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JLVQSXIRBCXNBZ-UHFFFAOYSA-N
-rxn:4:209886:223712,COc1ccc(-c2cnc(N3CCCCCC3)cc2C)cc1C12CC3CC(CC(C3)C1)C2,WFZBDCCYBXIDMX-UHFFFAOYSA-N
-rxn:4:209895:224197,CCN1CCN(Cc2ccc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc2F)CC1,KNMKXJULBZXHRV-UHFFFAOYSA-N
-rxn:4:211100:222890,COc1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)cc(C2CCCNC2)n1,WGKICCOTTBMNQI-UHFFFAOYSA-N
-rxn:4:212514:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(COCC[Si](C)(C)C)c([N+](=O)[O-])n3)cn2)CC1,GASMGSCPMJAUNM-UHFFFAOYSA-N
-rxn:4:212542:225898,CCOCC(=O)N1CCCC(Oc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,QYWXIEYATGQERH-UHFFFAOYSA-N
-rxn:4:212547:223775,CCOCCN1CCC(Oc2ncc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)cn2)CC1,HZIJUMPHPROKIE-UHFFFAOYSA-N
-rxn:4:212580:223639,O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CC(Cn2cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)cn2)C1,BPYKZPMTYDMGGN-UHFFFAOYSA-N
-rxn:4:212592:225217,CC1CCCN(c2cc(F)c(-c3cccc(CCCC4(C(=O)N(C)C)CCN4C)n3)cn2)C1,OYCXYAFNBBUJMB-UHFFFAOYSA-N
-rxn:4:212600:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)COc5ccccc5)C4)nc3)cn2)CC1,WWVOHYUPZPHDOL-UHFFFAOYSA-N
-rxn:4:212607:224825,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(C(=O)N(C)OC)cc([N+](=O)[O-])c3)cn2)CC1,WBEQZZANIFJODO-UHFFFAOYSA-N
-rxn:4:212608:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)C(C)(C)OC(C)=O)C3)nc2)cc1,HMRXLOXTGUHQAE-UHFFFAOYSA-N
-rxn:4:212626:225859,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(Cl)c4)cc3)CC2)c1,LZWSRCQCHTZZCC-UHFFFAOYSA-N
-rxn:4:212627:225833,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)C2)c1,FWCVZQDXHGLSQC-UHFFFAOYSA-N
-rxn:4:212649:226496,CCN(CC)c1cc(F)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)cn1,JYTVOKHJWKNXNX-UHFFFAOYSA-N
-rxn:4:212650:223573,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)C1,RFXQHQCBXDCICO-UHFFFAOYSA-N
-rxn:4:212697:222960,Cc1cccc(CS(=O)(=O)N2CCCC(COc3ncc(-c4cc(C)cc(C5CCNCC5)c4)cn3)C2)c1,CRMFCSGNEYVHBG-UHFFFAOYSA-N
-rxn:4:212814:225954,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cnc(-c3cnccn3)cc2F)C1(C)C,FGWXRUYCFUPKPE-UHFFFAOYSA-N
-rxn:4:212839:225975,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(N5CCOCC5)c4Cl)ccn23)CC1,IILKWXVTPUGYDG-UHFFFAOYSA-N
-rxn:4:212839:228365,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CC5)nc4Cl)ccn23)CC1,RDFDHMACEKEFPN-UHFFFAOYSA-N
-rxn:4:212879:223776,COCCN1CC(Cn2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cn2)C1,OIOZGPFDKCYKAT-UHFFFAOYSA-N
-rxn:4:212938:222607,CCC(=O)N1CCCC(COc2ncc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,MRISKIORCYWJTP-UHFFFAOYSA-N
-rxn:4:212991:223076,O=S(=O)(NC1CC1)c1cccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1,MZHYYXUNIIWMGN-UHFFFAOYSA-N
-rxn:4:213001:224797,CCCCOc1c(F)c(F)c(-c2ccccc2CCC(=O)N2CCN(c3nccs3)C(=O)C2)c(F)c1F,BDIJLMWTIMDQJX-UHFFFAOYSA-N
-rxn:4:213073:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,PVDADFHXNBCENR-UHFFFAOYSA-N
-rxn:4:213076:223929,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)cc1,WXDOFONOWRLOEI-UHFFFAOYSA-N
-rxn:4:213079:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(N4CCOCC4)c3Cl)nc2)CC1,CDIUUXQPTWOMPB-UHFFFAOYSA-N
-rxn:4:213095:223279,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2cnc(C3CCCN3)nc2)CC1,PCPSYIUQBRJKMX-UHFFFAOYSA-N
-rxn:4:213104:224702,Cc1c(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(F)c(OC2CCCC2)c1F,ANBKWBIZAIULCN-UHFFFAOYSA-N
-rxn:4:213130:225979,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cnc(N4CCOCC4)c(Cl)c3)c2)CC1,JIQKARBDTGMBAT-UHFFFAOYSA-N
-rxn:4:213131:222546,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,NRQHLBTYYVUIPU-UHFFFAOYSA-N
-rxn:4:213134:225358,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(C(=O)OC)cc(C(F)(F)F)c3)cn2)CC1,JQBIDXLJKRHTSE-UHFFFAOYSA-N
-rxn:4:213136:226448,Clc1ncc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)cc1C1CCCC1,MHJRBRYWASFSOB-UHFFFAOYSA-N
-rxn:4:213149:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(CC=Cc4ccccc4)CC3)nc2)cc1,GAHJJINUBXWDJF-UHFFFAOYSA-N
-rxn:4:213151:222861,CCCCNC(=O)c1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,DKCQMEYATJGPLF-UHFFFAOYSA-N
-rxn:4:213160:222781,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cnc(C)cc3NC(=O)OC(C)(C)C)cn2)CC1,DKPIPFDIEOQRJG-UHFFFAOYSA-N
-rxn:4:213176:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ncccc5C)CC4)c3)c(Cl)c2)CC1,KNBLZVWMMRFIRS-UHFFFAOYSA-N
-rxn:4:213178:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)oc5C)C4)nc3)c(Cl)c2)CC1,QGSBDCUQGQPRJJ-UHFFFAOYSA-N
-rxn:4:213187:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)o1,RSVQZITVZSRVQH-UHFFFAOYSA-N
-rxn:4:213220:225138,CC1CN(c2ccc(-c3ccn(-c4ccnc(C5CC5)c4)n3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,BWPFLHNCRPPSDL-UHFFFAOYSA-N
-rxn:4:213225:222947,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2)[nH]1,NCBLRPPZCVRYGT-BPARTEKVSA-N
-rxn:4:213264:223598,O=C(Cc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,XDYZALARMRLSMI-UHFFFAOYSA-N
-rxn:4:213265:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,VKBDMUYBZFMXAQ-UHFFFAOYSA-N
-rxn:4:213265:225852,O=C(c1ccc(-c2cnc(C3CCCCC3)nc2Cl)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,OLHKSZZBMCFEHR-UHFFFAOYSA-N
-rxn:4:213269:225174,COc1ccc(-c2ccc(F)cc2CN2CCOCC2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,WMMZMTPEFUJTCG-UHFFFAOYSA-N
-rxn:4:213278:224710,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5cccc(OC)c5)no4)C3)cc2)cc(C(F)(F)F)c1,NVWBPOLBZOMVPM-UHFFFAOYSA-N
-rxn:4:213281:223016,COC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc2[nH]ccc12,YHUMYVXESYDDIY-UHFFFAOYSA-N
-rxn:4:213326:223923,CC(C)OC(=O)c1cc2nc(-c3ccc(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)cc3)cc(C(F)(F)F)n2n1,ZWZUJLLVUNAJBK-UHFFFAOYSA-N
-rxn:4:213349:222758,Cc1cc(-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,ICILMUOCVUSGHE-UHFFFAOYSA-N
-rxn:4:213388:222769,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccc(C(=O)NC5CCCC5)c(F)c4)ccnc32)CC1,CLHKJHSNQRFCPH-UHFFFAOYSA-N
-rxn:4:213388:223123,CC(C)C(=O)Nc1ccc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,RTDJOZFRKDAUPV-UHFFFAOYSA-N
-rxn:4:213397:222697,O=C(c1cc(-c2ccc(-n3c(SCC(=O)N4CCc5ccccc54)nc4c(c3=O)SCC4)cc2)ccc1Cl)N1CCC(O)CC1,TWUCEXNWMOBJNW-UHFFFAOYSA-N
-rxn:4:213428:222946,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(N5CCCCC5O)nc4Cl)ccc3c2)[nH]1,RHLJNTQNNQOPSA-PMCHYTPCSA-N
-rxn:4:213442:223522,COc1ccc(N2CC(c3nc4ccccc4n3Cc3ccc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)cc3)CC2=O)cc1,GPSJMNCCRCRSTB-UHFFFAOYSA-N
-rxn:4:213480:222696,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)N5CCC(O)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LVMSUGJRCJWEAV-KIESAQMKSA-N
-rxn:4:213480:222721,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JGVXXKUGQDNXLD-YYFHDEPCSA-N
-rxn:4:213480:223003,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C5CCNCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,NBZKIMWYFFIZQG-FGGQGBITSA-N
-rxn:4:213480:223132,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(N5CCNCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,VCJLCSIMZDQBKV-WKGIXAQJSA-N
-rxn:4:213480:224662,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)ccc4CN4CCN(C)CC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OSIZNIGPSOMEFQ-RDPIHECBSA-N
-rxn:4:213480:224665,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)cc4CN4CCN(C)CC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,AEKLVQIRQCTMKM-RDPIHECBSA-N
-rxn:4:213603:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OC2CCN(C(=O)C3CC3)C2)nc1,NUFNKMUESUQWMD-UHFFFAOYSA-N
-rxn:4:213604:222396,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NC4CCC(O)CC4)cc3)cn2)C1,MFLRLONEIGWHAB-UHFFFAOYSA-N
-rxn:4:213628:222819,CC(C)(C)OC(=O)N1CC(n2ccc(-c3ccc(NC(=O)N4CCOCC4)nc3)n2)C1,WLXHFWGYIBBTLI-UHFFFAOYSA-N
-rxn:4:213629:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccnn2C2CN(C(=O)OC(C)(C)C)C2)c1,IVAMGQDHLQXUHT-UHFFFAOYSA-N
-rxn:4:213630:224566,COC(=O)C1(c2ccc(-c3cnn(CC4CCN(CC(F)F)CC4)c3)cc2)CCCC1,JGTHBKNZNOUXIY-UHFFFAOYSA-N
-rxn:4:213687:222582,COCCN1CCN(c2ccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)CC1,PIRUSVRNABWAAF-UHFFFAOYSA-N
-rxn:4:213718:222948,OC1CCN(c2ncc(-c3cnn(CC4CN(CC5COCCO5)C4)c3)c(Cl)n2)CC1,LMJKHUOTCRAMOG-UHFFFAOYSA-N
-rxn:4:213736:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(OC4CCN(S(=O)(=O)c5ccccc5)C4)nc3)c(F)ncc21,QDCUDDSOWRSIKG-UHFFFAOYSA-N
-rxn:4:213768:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(OCC2CCCN(C3COC3)C2)nc1,VKUQPPQJFMDKDR-UHFFFAOYSA-N
-rxn:4:213799:222584,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ncn2)C1,PROLATRXTQHQTI-UHFFFAOYSA-N
-rxn:4:213803:226583,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(CN3CCOCC3)s2)cn1,SLDQGEOXJBMSFW-UHFFFAOYSA-N
-rxn:4:213839:223945,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,SLIVJSUMMYKGCR-UHFFFAOYSA-N
-rxn:4:213844:224795,CCN(CC)S(=O)(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)n2)ccc1F,XJBJDGMPTUNNMS-UHFFFAOYSA-N
-rxn:4:213872:225165,COc1cc(-c2cnn(CC3CN(CC4CCCCC4)C3)c2)ccc1N1CCOCC1,ZFMTXYPMIQKYOC-UHFFFAOYSA-N
-rxn:4:213882:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(CC5CCS(=O)(=O)CC5)C4)c3)c2)C1,YAHSAYMFPPSBIM-UHFFFAOYSA-N
-rxn:4:213948:222994,OC1CCN(c2cccc(-c3cnc(OC4CCN(CC5CCCC5)CC4)nc3)c2)CC1,OLIWWXCNWRAVJV-UHFFFAOYSA-N
-rxn:4:213948:224669,CN1CCN(Cc2ccc(-c3cnc(OC4CCN(CC5CCCC5)CC4)nc3)c(F)c2)CC1,CALFMSGZNLSEDN-UHFFFAOYSA-N
-rxn:4:213973:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1C,IKFSKLQQRBPFOX-UHFFFAOYSA-N
-rxn:4:213994:222877,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)c1,VZUYXDKHNJRYDH-QGZVFWFLSA-N
-rxn:4:214018:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3=NN(C(C)=O)C(c4ccc(N(C)C)cc4)C3)cc2)c1,FLMZAWSORIFNQM-UHFFFAOYSA-N
-rxn:4:214022:222785,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(F)c(NC(=O)OC(C)(C)C)c4)cn3)C2)cc1C,SFWPLLQYIRTQAM-UHFFFAOYSA-N
-rxn:4:214045:224412,Cc1cc(C)n(CC2CCN(Cc3ccc(-c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)n1,AGEYCLJYHJFKNP-UHFFFAOYSA-N
-rxn:4:214179:223775,COc1ccc2c(c1)c(-c1ccn3cnc(C4CN(C(=O)OC(C)(C)C)C4)c3c1)cn2C(=O)OC(C)(C)C,ALUBMZYOVXEOSC-UHFFFAOYSA-N
-rxn:4:214212:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)c2)CC1,LLJYEWHLNKVUEO-UHFFFAOYSA-N
-rxn:4:214585:223893,CCN1CCN(CCOc2cccc(-c3ncccc3CN3CC(S(N)(=O)=O)C3)c2)CC1,SGAAIVHTZXJGFD-UHFFFAOYSA-N
-rxn:4:214616:223712,COc1ccc(-c2cnn(CC3CN(C(C)C)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,YYGNTOFLTLXHLU-UHFFFAOYSA-N
-rxn:4:214631:224394,Cc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCOCC1,KCMUVKPNLAOSRL-UHFFFAOYSA-N
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-rxn:4:214706:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)CC1,OYTZISHSIGMRJT-UHFFFAOYSA-N
-rxn:4:214709:224690,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCC(=O)CC4)cc3F)cn2)CC1,NLTXGDLMLPHAIM-UHFFFAOYSA-N
-rxn:4:214711:222747,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)NCC4CCCO4)cc3)cn2)CC1,CAYNXKKCHYGSAK-UHFFFAOYSA-N
-rxn:4:214711:224349,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,XOUDAMWHRHABRF-UHFFFAOYSA-N
-rxn:4:214711:224376,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cn2)CC1,OOAIFLDDXXMAJQ-UHFFFAOYSA-N
-rxn:4:214731:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cccnc3N3CCN(S(=O)(=O)C4CC4)CC3)ccc(F)c2s1,PXTDTSQLURASKO-UHFFFAOYSA-N
-rxn:4:214734:224008,O=C(c1cc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)cc([N+](=O)[O-])c1)N1CCOCC1,ZCSQORUYCTXZIJ-UHFFFAOYSA-N
-rxn:4:214740:222723,CC(=O)N1CCCC(Cc2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,PRAZJWSJOVAUDA-UHFFFAOYSA-N
-rxn:4:214743:224197,CCN1CCN(Cc2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)cc2F)CC1,SBLFEJCTQJBKMV-UHFFFAOYSA-N
-rxn:4:214855:222947,OC1CCCN(c2ncc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)c(Cl)n2)C1,UBDNRLGKXTWPKE-UHFFFAOYSA-N
-rxn:4:214858:222723,Cn1ccc(C2CCCN(S(=O)(=O)c3ccccc3-c3cccc(NS(=O)(=O)N4CCOCC4)c3)C2)n1,QXYSCASLPAZCPA-UHFFFAOYSA-N
-rxn:4:214862:223563,COc1cc(COc2c(C)cc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2C)cc(OC)c1,SMEQQKYSAVBBBS-UHFFFAOYSA-N
-rxn:4:214868:226554,CCCOc1cc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,NTQIVBOFVDGFAF-UHFFFAOYSA-N
-rxn:4:214871:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)c(F)c2)CC1,FGICHBWOTXANAL-FTYYUIOPSA-N
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-rxn:4:215077:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCn5nc(C6CC6)cc5C4)o3)c3ccccc23)CC1,QXGYRYZGRXDRQG-UHFFFAOYSA-N
-rxn:4:215099:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnn2c1CN(C(=O)OC(C)(C)C)[C@H](C)C2,JUQWGTGZZLBQKF-OEMAIJDKSA-N
-rxn:4:215143:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1,QZDLNBOADWEWEO-UHFFFAOYSA-N
-rxn:4:215170:223156,CCNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,GUEYHUSHDWPKLX-UHFFFAOYSA-N
-rxn:4:215170:225076,COC(=O)c1ccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c2cccnc12,KMVLHAOJQOERMW-UHFFFAOYSA-N
-rxn:4:215184:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,DBXDJGMGSWMPNY-UHFFFAOYSA-N
-rxn:4:215187:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCN(c4nc5ccccc5s4)CC3)cc2)CC1,OYBZWWIWDCVRGQ-UHFFFAOYSA-N
-rxn:4:215239:222398,Cc1cc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)ccc1NC(=O)NC1CC1,JDKQVJRAEHCKCA-UHFFFAOYSA-N
-rxn:4:215288:224325,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc2)C1=O)C3,KZQDXVCNPUPNGC-UHFFFAOYSA-N
-rxn:4:215295:226111,CC(C)(C)OCc1ccccc1-c1cnc2n1CCc1ccccc1C21CCN(C(=O)OC(C)(C)C)CC1,DCDFBIHTOKVFCN-UHFFFAOYSA-N
-rxn:4:215295:227349,COc1cc(C)cc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1OC,HKBKPGGWSSKOCD-UHFFFAOYSA-N
-rxn:4:215880:223835,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cn2)CC1,ZIELRRQMLUJFDJ-UHFFFAOYSA-N
-rxn:4:215890:222598,Cc1cc(-c2cnc(N3CCCCC3C)c([N+](=O)[O-])c2)cc(C)c1S(=O)(=O)NC1CCCC1,IJLWPGIGTQMCMT-UHFFFAOYSA-N
-rxn:4:215904:223997,Cc1cc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,IRPMBJICQGQUJO-UHFFFAOYSA-N
-rxn:4:215904:224349,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,OPFKMTDWVXIVCG-UHFFFAOYSA-N
-rxn:4:215908:222724,CS(=O)(=O)N1CCN(c2cncc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,XQTCIEJYJITVMZ-UHFFFAOYSA-N
-rxn:4:215912:224658,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2)CC1,QNKGEODKEXHCNU-UHFFFAOYSA-N
-rxn:4:215926:222465,c1c(-c2cc(N3CCCCC3)nc(C3CC3)n2)cc(C2CCCNC2)nc1C1CCCCC1,UDPCXPIQQBULBC-UHFFFAOYSA-N
-rxn:4:215941:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)c3ccccc23)CC1,NTXQTISCSSKMIE-UHFFFAOYSA-N
-rxn:4:215941:223785,CCN1CCN(CCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2Cl)CC1,WTRLZHHUCFOQLT-UHFFFAOYSA-N
-rxn:4:215943:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2)CC1,ITFNKKBTMIFAQI-RQNOJGIXSA-N
-rxn:4:215989:222895,CCCCS(=O)(=O)Nc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1,HHLPPNPPNYJAFT-UHFFFAOYSA-N
-rxn:4:215989:225802,CN1CCN(C2CCN(c3ccc(-c4ccc(OC5CCCC5)nc4F)cc3)CC2)CC1,HQPXSWDPUKEZRP-UHFFFAOYSA-N
-rxn:4:215990:222923,Cc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1S(=O)(=O)NC1CC1,PYYHVAVYZSWPBK-UHFFFAOYSA-N
-rxn:4:215990:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1,XVCVNEWMAHLANY-UHFFFAOYSA-N
-rxn:4:216006:223504,COC(=O)c1c[nH]c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)nc12,GGNWOKQNNPYYJL-UHFFFAOYSA-N
-rxn:4:216319:225227,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(N5CCC(C)CC5)c(Cl)c4)ccc3S2(=O)=O)n1,VZAFBPUOXJQYJD-UHFFFAOYSA-N
-rxn:4:216319:226662,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)s4)ccc3S2(=O)=O)n1,SGQIKFPEAFASOD-UHFFFAOYSA-N
-rxn:4:217026:223499,CN1CC(c2cnc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,HLIBJSNIMMCSII-UHFFFAOYSA-N
-rxn:4:217026:223526,CN1CC(c2cnc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)C1,LISIKYJHOHALJH-UHFFFAOYSA-N
-rxn:4:217211:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCN(C)CC4)nc3)c(F)cc2C)CC1,QATCSVUEXHWZFU-UHFFFAOYSA-N
-rxn:4:217865:223809,C=C1CC2CCC(C1)N2c1ncc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cn1,DHCOTZJHBLXXCH-UHFFFAOYSA-N
-rxn:4:217905:225671,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)ncc4F)ccc2OC32CCN(C)CC2)o1,XTUGZQJRZHJKFO-UHFFFAOYSA-N
-rxn:4:218590:225061,CC1CCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5C#N)C4)nc3)c(F)c2)CC1,KSYLEERXBCQGED-UHFFFAOYSA-N
-rxn:4:218600:224759,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,FBRLAULQJDFHST-UHFFFAOYSA-N
-rxn:4:218655:225898,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,XRYQPYAQEBCXFI-UHFFFAOYSA-N
-rxn:4:218668:222896,CC(C)(C)OC(=O)NCc1ccc(-c2cccnc2OC2CCN(C(=O)CN3CCN(c4ccccc4)C3=O)C2)s1,HZJVFIYEMIKGTJ-UHFFFAOYSA-N
-rxn:4:218681:226498,CCN(CC)c1ncc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)cc1Cl,YBNYLCGBCULOEW-UHFFFAOYSA-N
-rxn:4:218699:228147,CCCc1cc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)cnc1Cl,VESMXHGEFRGFKA-UHFFFAOYSA-N
-rxn:4:218707:222816,COc1ccc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)cc1S(=O)(=O)NC(C)C,MNMWLDJXZDWSMP-UHFFFAOYSA-N
-rxn:4:218711:225423,CN(C)CCCCc1ccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1,GTTNKCSWQFIAOR-UHFFFAOYSA-N
-rxn:4:218815:224387,Cc1cn(-c2ccc(-c3cnn(CC4CN(C(=O)CN5C(=O)CCC5=O)C4)c3)c(C(F)(F)F)c2)cn1,NWYULFLOVWJANV-UHFFFAOYSA-N
-rxn:4:218824:222747,CN(CC1CN(c2ncc(-c3ccc(C(=O)NCC4CCCO4)cc3)cn2)C1)S(=O)(=O)C1CC1,FBYVMAJUDFPESB-UHFFFAOYSA-N
-rxn:4:218831:223945,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GAKGEIPCKGDCBV-UHFFFAOYSA-N
-rxn:4:218832:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)c5cscn5)C4)nc3)c2)CC1,YBWWTYWFNIIWGM-UHFFFAOYSA-N
-rxn:4:218867:223084,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCC(O)CC4)nc3)c2)no1,KXOGRSUJBFCFII-UHFFFAOYSA-N
-rxn:4:218867:225461,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCC4)cc3C)c2)no1,SQAAAXJIQVIPCH-UHFFFAOYSA-N
-rxn:4:218867:225947,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCN(C)CC4)nc3)c2)no1,YKWONHPYKSYTQM-UHFFFAOYSA-N
-rxn:4:218868:225183,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCCC4)nc3F)cc2)no1,NKRKHYAEKWZIJN-UHFFFAOYSA-N
-rxn:4:218868:225952,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)nc3C)cc2)no1,QRUMEYGICUOJPE-UHFFFAOYSA-N
-rxn:4:218868:226586,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCOC4)c3)cc2)no1,XGWIAZGGWRLBDT-UHFFFAOYSA-N
-rxn:4:218885:223602,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,HSDYJCCNECDHAI-UHFFFAOYSA-N
-rxn:4:218885:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OCC2CCN(C(=O)c3scnc3C)CC2)nc1,PPFMQNMTTKKWJC-UHFFFAOYSA-N
-rxn:4:218885:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OCC2CCN(C(=O)c3scnc3C)CC2)nc1,IZMRMQBHMICTOR-UHFFFAOYSA-N
-rxn:4:218886:224322,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cn2)C1,PSARRZJBUVYUNJ-UHFFFAOYSA-N
-rxn:4:218945:223084,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCC(O)CC4)nc3)cncc2[N+](=O)[O-])CC1,UQZVIVANZBNBPJ-UHFFFAOYSA-N
-rxn:4:218970:223812,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,SMZPXZJSBGQIAO-UHFFFAOYSA-N
-rxn:4:218992:223219,CC(C)NCc1cncc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1,QCNKGNPQIQARQH-UHFFFAOYSA-N
-rxn:4:219026:223984,CC1CN(C(=O)c2c(-c3ccc(Oc4ccc(F)cc4[N+](=O)[O-])cc3)cnn2C)CCN1C(=O)OC(C)(C)C,IVULSOFJXMEHJA-UHFFFAOYSA-N
-rxn:4:219044:223958,CCN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)cc2F)CC1,AHXOZTPLZZOYCF-UHFFFAOYSA-N
-rxn:4:219046:224592,N#CC1(c2ccc(F)c(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CCCCC1,ALOCCNGGFPGHOC-UHFFFAOYSA-N
-rxn:4:219077:224481,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(OCCCN6CCCC6)cc5)cc4)n[nH]3)CC2)cc1F,BBVNOTHDOFCZCR-UHFFFAOYSA-N
-rxn:4:219125:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1nccn1)C2,GNSORHBHVMXQHO-UHFFFAOYSA-N
-rxn:4:219164:222426,CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)c3)no2)c1=O,JSOKTDNXWJFISM-UHFFFAOYSA-N
-rxn:4:219184:223812,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc2)OC3)CC1,LKWKTPLQBNYFPT-UHFFFAOYSA-N
-rxn:4:219184:225516,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OCCCN(C)C)cc4)cc2)OC3)CC1,BNKGPGPYBAKWLO-UHFFFAOYSA-N
-rxn:4:219205:222634,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1ccc(OCCNC2CCCC2)c(F)c1,ZZHOSCFFWNTDGZ-UHFFFAOYSA-N
-rxn:4:219271:225890,C[Si](C)(C)CCOCn1cc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)cn1,PZYJKPILAJSQHN-UHFFFAOYSA-N
-rxn:4:219336:224458,CC1CCN(C(C)c2ccc(-c3cnn(CC4CN(C(=O)N5CCOCC5)C4)c3)cc2)CC1,PRQVDFUPBKYLLL-UHFFFAOYSA-N
-rxn:4:219340:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)o2)CC1,QOTNRWPUWWUMQF-UHFFFAOYSA-N
-rxn:4:219371:226428,CC1CCCCN1c1csc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)c1,NEYQTVHTAYSQRR-UHFFFAOYSA-N
-rxn:4:219381:224270,CSc1ncc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,DEPXESLAKGXZLH-UHFFFAOYSA-N
-rxn:4:219383:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cnc2C1,RZRDZTHYWHVLDA-UHFFFAOYSA-N
-rxn:4:219402:224718,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,NEEMZKIAJYLYNB-UHFFFAOYSA-N
-rxn:4:219410:223077,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,MZNBPPRIGHJICH-UHFFFAOYSA-N
-rxn:4:219414:227472,CCCOc1ncc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C#N)c1,XTVBEEPCVUCNOJ-UHFFFAOYSA-N
-rxn:4:219415:223526,CSc1ncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(N2CCC(Oc3ccncc3C)C2)n1,WAOQKHWCOKBANC-UHFFFAOYSA-N
-rxn:4:219431:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1,MATFUHCFMFGFLY-UHFFFAOYSA-N
-rxn:4:219436:223093,CC(C)S(=O)(=O)Nc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1,UBDPOJFEISKFDV-UHFFFAOYSA-N
-rxn:4:219469:222723,CSc1ncc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,KZTCRUGWMFXHKS-UHFFFAOYSA-N
-rxn:4:219473:224400,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,AATTZIYHFNWZCH-UHFFFAOYSA-N
-rxn:4:219475:222632,Cn1nc(C(=O)N2CCC(Oc3ncccc3-c3cccc(C(=O)NCCN4CCCC4)c3)CC2)ccc1=O,WMXFHHNZPWXKFK-UHFFFAOYSA-N
-rxn:4:219477:225220,CC1CCCCN1c1ncc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1Cl,JINNLLGYPGWXCA-UHFFFAOYSA-N
-rxn:4:219479:225859,O=C(c1cc(-c2cnc(N3CCCCC3)c(Cl)c2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,PZNLIJARKQFCJP-UHFFFAOYSA-N
-rxn:4:219498:223025,CCCNC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)ccc1Cl,FAEUQNUOJMQTIM-UHFFFAOYSA-N
-rxn:4:219500:226498,CCN(CC)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc1Cl,PJYKAYLMSXABID-UHFFFAOYSA-N
-rxn:4:219501:226554,CCCOc1cc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1F,QEEKQHBHTFZELK-UHFFFAOYSA-N
-rxn:4:219506:225462,CC1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)c2)CC1,QVEYJOCRJMDHGW-UHFFFAOYSA-N
-rxn:4:219506:225653,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cn1,GRKDFKHZIPEORR-UHFFFAOYSA-N
-rxn:4:219520:223569,Cc1cc(N2CCN(CCc3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cc3)CC2)ncn1,AOEGDCGJAIAEAX-UHFFFAOYSA-N
-rxn:4:219532:228879,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccnn1C1COC1,HIPOQXQQEDIVKN-UHFFFAOYSA-N
-rxn:4:219627:223184,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3cnc(N4CCNCC4)nc3)s1)C2,GYLNDXAFJWUNPH-UHFFFAOYSA-N
-rxn:4:219639:222584,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)C1,VBBQMYHFPJZVHO-UHFFFAOYSA-N
-rxn:4:219651:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(OC)cc3CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)c2)CC1,GKXOSSGIUFVIKR-UHFFFAOYSA-N
-rxn:4:219653:222604,COc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1S(=O)(=O)NC1CCCC1,CQSOVQCMUGQJGN-UHFFFAOYSA-N
-rxn:4:219653:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)CC1,HCBWCEIRCFHTPD-UHFFFAOYSA-N
-rxn:4:219653:225170,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(F)ccc4CN4CCOCC4)nc3s2)CC1,CRXPBGOOHYOQCS-UHFFFAOYSA-N
-rxn:4:219654:224663,CN1CCN(Cc2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2F)CC1,AITPARJOGHWVKW-UHFFFAOYSA-N
-rxn:4:219707:226619,Cc1nc(N2CCCC2)ncc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,MZRMBYNTGSWRFY-UHFFFAOYSA-N
-rxn:4:219743:224666,CC(C)c1sc(-c2ccc(F)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,VVSONEGGXFAVKG-UHFFFAOYSA-N
-rxn:4:219867:223534,CCN1CCN(c2ncc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cc2[N+](=O)[O-])CC1,DYIZEIUNPCQNBM-UHFFFAOYSA-N
-rxn:4:219876:222584,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,AYTDDDZQAFLHBL-UHFFFAOYSA-N
-rxn:4:219895:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2C(=O)N2CCC(n3ccnn3)CC2)CC1,RRZVHJOPPLGCOY-UHFFFAOYSA-N
-rxn:4:219903:223602,CC(C)N1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,UWKYFQAOXWHKLH-UHFFFAOYSA-N
-rxn:4:219917:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccccc2S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,OFSMOUKHJOPLLL-UHFFFAOYSA-N
-rxn:4:219955:222546,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CCO1)N1CCSCC1,WHSREIZIRLVQHL-UHFFFAOYSA-N
-rxn:4:219959:222894,CCCCS(=O)(=O)Nc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,KHSHFDZOGOEHJT-UHFFFAOYSA-N
-rxn:4:219975:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)cc2F)CC1,OBKDUUAANRHFBQ-UHFFFAOYSA-N
-rxn:4:220058:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5nc6cc(Cl)ccc6o5)C4)c3)cc2[N+](=O)[O-])CC1,VXUZVZQJDJAWCD-UHFFFAOYSA-N
-rxn:4:220137:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,AAXNSIUPBVOWFL-UHFFFAOYSA-N
-rxn:4:220222:224678,Cc1ccc(-c2ccc(F)c(C(=O)N3CCCCC3)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,DVRXMIMOUMMWAI-UHFFFAOYSA-N
-rxn:4:220396:223687,CN1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1=O,DWGOYFIKKKCDOV-UHFFFAOYSA-N
-rxn:4:220397:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCN(CC)CC4)nc3)c(F)c2)CC1,LDQYIDQIZOBIRJ-UHFFFAOYSA-N
-rxn:4:220426:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCOCC3)nc2N2CCOCC2)c2nc(Cl)ccc21,WGHJLSOLRUJGCY-UHFFFAOYSA-N
-rxn:4:221097:222651,Cc1n[nH]c(C)c1CCC(=O)N1CCC(Oc2ncc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cn2)C1,HTTACPCWVGKZSA-UHFFFAOYSA-N
-rxn:4:221103:225172,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)cn1,JPRWABACRPILLM-UHFFFAOYSA-N
-rxn:4:221110:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c1,SDQYXMVVRIFJKC-UHFFFAOYSA-N
-rxn:4:221114:229043,CCOc1ccc(-c2cc(Cl)ccc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,GFYVBQCENXFZQX-UHFFFAOYSA-N
-rxn:4:221121:224524,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(OCc6ccccc6)ccc5Cl)ccc43)CC2)CC1,POUYLCLNVOXPGE-UHFFFAOYSA-N
-rxn:4:221129:222619,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(CNC(=O)C6CCCCC6)cc5)cc4)nnn3c3ccccc23)CC1,WSRQXFNHBOKKRZ-UHFFFAOYSA-N
-rxn:4:221171:222723,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1F,SZLGAUFKZXZYSZ-UHFFFAOYSA-N
-rxn:4:221175:225212,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(N5CCN(C)CC5)c4)cn3)C2)C(=O)C1=O,FNZQCUOGDBXPNQ-UHFFFAOYSA-N
-rxn:4:221175:228731,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(Cl)c4C#N)cn3)C2)C(=O)C1=O,JTFYWZKYVUQZKP-UHFFFAOYSA-N
-rxn:4:221175:228753,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(F)c4C#N)cn3)C2)C(=O)C1=O,SRMCZYSWQANEJM-UHFFFAOYSA-N
-rxn:4:221175:228775,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4)cn3)C2)C(=O)C1=O,ISVPNFNQIDTOPU-UHFFFAOYSA-N
-rxn:4:221195:224194,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)cc2Cl)CC1,WHYGFLCORBJZSB-UHFFFAOYSA-N
-rxn:4:221232:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2)CC1,ZAFODOULALUQFO-UHFFFAOYSA-N
-rxn:4:221232:224820,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C1)CCOC2,YGVWJPOYVXLRCF-UHFFFAOYSA-N
-rxn:4:221240:223670,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C1)CCC2,OKDMYLMYIIOHHJ-UHFFFAOYSA-N
-rxn:4:221240:225529,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)cc1F,KMWNNCIOPAFQTL-UHFFFAOYSA-N
-rxn:4:221369:222716,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)cn3)C2)ccc1=O,OMPWEONCMATCOF-UHFFFAOYSA-N
-rxn:4:221395:222542,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1OCCCN1CCNCC1,JHBANGHMTZXOHI-UHFFFAOYSA-N
-rxn:4:221437:223279,O=C(c1ccc(-c2cnc(C3CCCN3)nc2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,JECNSBUIJMOFHE-UHFFFAOYSA-N
-rxn:4:221445:226382,Cc1cc(N2CCN(Cc3cccc(-c4cnc(C5CCCCC5)nc4)c3)CC2)nc(N2CCOCC2)n1,UONRNAICMUSQBQ-UHFFFAOYSA-N
-rxn:4:221449:227116,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(Cl)c4C)cc3)CC2)n1,AKAJVQILJUTCGD-UHFFFAOYSA-N
-rxn:4:221502:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnccc3OC3CCN(c4nccn5nc(C6CC6)cc45)C3)cc2)CC1,XTYHJZGDVLXGFZ-UHFFFAOYSA-N
-rxn:4:221528:223945,CC(C)c1sc(-c2ccc(OCCCN3CCOCC3)c(F)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,RDZSWBBKNONCPG-UHFFFAOYSA-N
-rxn:4:221528:224667,CC(C)c1sc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,WRJNLITXSCZRKL-UHFFFAOYSA-N
-rxn:4:221535:224496,CCN1CCN(Cc2cccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c2)CC1,FEUDERUZYDBTOT-UHFFFAOYSA-N
-rxn:4:221538:224826,CCOC(=O)c1cc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cnc1C(F)(F)F,FODDOLYRNPEUFG-UHFFFAOYSA-N
-rxn:4:221633:224327,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)CC2)n1,CQJCAXKXUSQKTR-UHFFFAOYSA-N
-rxn:4:221649:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(c5ncnc6sccc56)C4)c3)c2)CC1,ZUTOANKKLTVQEU-UHFFFAOYSA-N
-rxn:4:221730:223595,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,ZLLAXQFRGFZCLV-UHFFFAOYSA-N
-rxn:4:221740:222805,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(F)c(N4CCC(O)CC4)c3)cc2)n(C)c1=O,PODMUHCFDROLDO-UHFFFAOYSA-N
-rxn:4:221934:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(CCn5nccn5)CC4)nc3)cc2)CC1,CFFBUDWOUQAYNQ-UHFFFAOYSA-N
-rxn:4:221965:223102,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccsc5S(=O)(=O)NC(C)(C)C)cc4)CC3)nn2)CC1,QUILKUNNMPHBDX-UHFFFAOYSA-N
-rxn:4:221980:222684,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)sc3n2)CC1,LUGSDJUMMRXXDE-UHFFFAOYSA-N
-rxn:4:221980:223945,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)c4)sc3n2)CC1,WPQUVCAHMWWKKB-UHFFFAOYSA-N
-rxn:4:221980:225883,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(C6CCOCC6)c(Cl)c5)c4)sc3n2)CC1,STNZAMAHIWNMTE-UHFFFAOYSA-N
-rxn:4:222089:223814,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,SLNQNFNFMIADHM-UHFFFAOYSA-N
-rxn:4:222102:225168,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1,SICIYOQASLIUQP-UHFFFAOYSA-N
-rxn:4:222108:223022,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,XONGHCRPHCRDHX-UHFFFAOYSA-N
-rxn:4:222108:225537,CCN(CC)Cc1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,IHQLOONCFMFMMU-UHFFFAOYSA-N
-rxn:4:222335:224849,Cc1cc(N2CCN(c3ncc(-c4cc(C5CCCC5)cc(C5CC5)c4)cn3)CC2)nc(N2CCCC2)n1,ZFKMZQDRDBFRII-UHFFFAOYSA-N
-rxn:4:222338:225674,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cnc(C5CCCCC5)cc4F)cn3)CC2)n1,ODBZSUSMHXRYET-UHFFFAOYSA-N
-rxn:4:222351:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)nc2)CC1,LKKMGNPAQKKIIM-UHFFFAOYSA-N
-rxn:4:222351:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ccc6nc(C(C)(C)C)cn6n5)CC4)nc3)cc2F)CC1,LRHFILFJGRCJDB-UHFFFAOYSA-N
-rxn:4:222389:209822,Cc1nn(C2CCOCC2)c(C)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,FEIMNFBFMVHASW-UHFFFAOYSA-N
-rxn:4:222513:177844,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(C)(=O)=O)ccc1OC(C)C,KUYQXEOVWHEJFF-UHFFFAOYSA-N
-rxn:4:222523:199885,CN(C)c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)cc2)c2ccc(N(C)C)cc2)cc1,SVOOHQRKMPWSBU-UHFFFAOYSA-N
-rxn:4:222523:203854,CC(C)(C)NS(=O)(=O)c1ccc(-c2nc(OC(C)(C)C)cc(C(C)(C)C)n2)c(C(F)(F)F)c1,CCKRGFPXKFDOMH-UHFFFAOYSA-N
-rxn:4:222541:215907,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)CC1,WPKZNDBYFWSZLV-UHFFFAOYSA-N
-rxn:4:222630:204052,COc1c(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cccc1N1CCN(C(C)C)CC1,VHQGUBDDAZVAKU-UHFFFAOYSA-N
-rxn:4:222630:207959,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,OWHQSXXPQKSARX-UHFFFAOYSA-N
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-rxn:5:179629:225633:225833,COc1ccc(-c2ccc(N3CCCCCC3)nc2)c(S(C)(=O)=O)c1-c1ccnc(N2CCCCC2)c1F,NHNCOZALNHSCIJ-UHFFFAOYSA-N
-rxn:5:179629:225655:225849,COc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,DGUJGLPOVJXQBS-UHFFFAOYSA-N
-rxn:5:179629:225833:225638,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1ccc(N2CCC(C)CC2)nc1,UBXNLMNIZTVFCI-UHFFFAOYSA-N
-rxn:5:179629:225834:225849,COc1ccc(-c2cc(N3CCCCC3)ncc2F)c(S(C)(=O)=O)c1-c1cnc(N2CCCCC2)cc1F,RCFUJVMSZGQLKA-UHFFFAOYSA-N
-rxn:5:180021:225439:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cccc(C(C)N2CCCC2)c1,OTLSQYOUPUNVDG-UHFFFAOYSA-N
-rxn:5:180022:222996:226382,COc1c(-c2cnc(C3CCCCC3)nc2)ccc(-c2ccc(F)cc2C2CCCNC2)c1C1OCCO1,CDGRZWNHZYQZBN-UHFFFAOYSA-N
-rxn:5:180022:223001:223136,COc1c(-c2ccncc2C2CCCNC2)ccc(-c2cc(C3CCCNC3)ccc2F)c1C1OCCO1,OXPDZTQZDIUCHI-UHFFFAOYSA-N
-rxn:5:180022:223147:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)ccc(-c2ccc(C3CNCCO3)cc2)c1C1OCCO1,FNWNRYPABHXWEL-UHFFFAOYSA-N
-rxn:5:180022:225456:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccc(C3CCN(C)CC3)cc2)c1C1OCCO1,LPTOJPGEXBABTL-UHFFFAOYSA-N
-rxn:5:180022:225986:226446,COc1c(-c2ccc(C3CCOC3)nc2C)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,VEJCLKBWUSENHR-UHFFFAOYSA-N
-rxn:5:180097:222404:225926,O=C1NC(=O)C(c2ccc(-c3cc(OC4CCCC4)cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c3)cc2)N1,REXBXPPQJNSMER-UHFFFAOYSA-N
-rxn:5:180204:226334:226047,Cc1cc(C(=O)N(C)C)cc(-c2cc(-c3ccc(OC(F)(F)F)c(F)c3F)ccc2OC2CCOCC2)c1,AYSHFEGNGOIEBB-UHFFFAOYSA-N
-rxn:5:180421:222959:226374,Cc1cc(-c2cc(CC3CCCCC3)ccc2-c2cncnc2C2CCCCC2)ccc1C1CCNCC1,NQNQCGCOAHFWNP-UHFFFAOYSA-N
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-rxn:5:180602:225798:227803,COC(=O)C1Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(OC4CCOCC4)nc3)c2O1,VWVNVTIKVCJISB-UHFFFAOYSA-N
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-rxn:5:180613:223054:223065,COC(=O)c1cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3ccc(C(C)N4CCC(O)C4)s3)c2oc1=O,FYIBMZWOXZMJPS-UHFFFAOYSA-N
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-rxn:5:180662:223134:226731,COC(=O)C1=Cc2cc(-c3ccccc3S(=O)(=O)N(C)C)cc(-c3cnccc3C3CCCNC3)c2OC1,REWDIRDXXMJHIN-UHFFFAOYSA-N
-rxn:5:180662:223138:226181,COC(=O)C1=Cc2cc(-c3ccc(C4=CCCCC4)nc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,ODFKNSNCRUKZAI-UHFFFAOYSA-N
-rxn:5:180662:223285:225799,COC(=O)C1=Cc2cc(-c3cncc(OC4CCOCC4)c3)cc(-c3ccccc3NS(C)(=O)=O)c2OC1,LPKDRUNQKQMCHL-UHFFFAOYSA-N
-rxn:5:180662:223294:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3csc(N4CCNCC4)n3)c2OC1,FOHPBGKCSXNKKU-UHFFFAOYSA-N
-rxn:5:180662:223294:226326,COC(=O)C1=Cc2cc(-c3cccc(C4(C#N)CC4)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,IFKRUSHXGOUACW-UHFFFAOYSA-N
-rxn:5:181904:222986:222985,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCCNC3)nc2C)cc(C2CCCNC2)n1,VAYCBJZPDYVAKY-UHFFFAOYSA-N
-rxn:5:181904:225633:222960,Cc1cc(-c2c(-c3ccc(N4CCCCCC4)nc3)ccc(C3OCCO3)c2C)cc(C2CCNCC2)c1,PFSJAQFIENJLIO-UHFFFAOYSA-N
-rxn:5:181904:225636:222959,Cc1cc(-c2c(-c3ccnc(N4CCC(C)CC4)c3)ccc(C3OCCO3)c2C)ccc1C1CCNCC1,DFIQZWMGCCLIMG-UHFFFAOYSA-N
-rxn:5:181904:225832:226440,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(F)nc(C2CCCC2)c1,YCCBVLOVKITWHW-UHFFFAOYSA-N
-rxn:5:181904:226654:222957,Cc1cc(-c2c(-c3csc(N4CCC(C)CC4)n3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,AYJPRALJTUHJNJ-UHFFFAOYSA-N
-rxn:5:181905:225407:226428,Cc1ccc(-c2cc(N3CCCCC3C)cs2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,WWEXTDMWWGFZNQ-UHFFFAOYSA-N
-rxn:5:181907:225653:222985,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,JRFLZFPMJOJJNE-UHFFFAOYSA-N
-rxn:5:181908:227610:225832,Cc1cc(-c2ccn(C3CCCCO3)n2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,XAUIDQZEFQKYFF-UHFFFAOYSA-N
-rxn:5:182009:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncnc2C2CCCCC2)cc1C1CCOCC1,RJVRPUXUKDHITE-UHFFFAOYSA-N
-rxn:5:182011:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccc(C2CCCCC2)cc1,BDFCVZCHLXNEGK-UHFFFAOYSA-N
-rxn:5:183062:225832:225407,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3ccc(C4CCCCCC4)cc3)c1)OCCCO2,ZLVFWQAVAKPSHY-UHFFFAOYSA-N
-rxn:5:183189:223058:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3cc(F)nc(C4CCCNC4)c3)c1)OC(C)(C)OC2,JEKBZMMLLSZLRG-UHFFFAOYSA-N
-rxn:5:183216:226058:223018,CC(C)c1cccc(C(C)C)c1-c1cc2c(c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c1)OC(C)(C)CC2=O,VKKJYMDPHMSDGR-UHFFFAOYSA-N
-rxn:5:183216:226188:225655,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(c(-c3cncc(N4CCC(C)CC4)c3)c1)OC(C)(C)CC2=O,OXJBACDNKIRKGT-UHFFFAOYSA-N
-rxn:5:183217:223006:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(c(-c3ccc(F)c(C4CCNCC4)c3)c1)OC(C)(C)CC2=O,DFSSYHVEYQPOII-UHFFFAOYSA-N
-rxn:5:183227:225926:225638,CC1CCN(c2ccc(-c3cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cc4c3OCCC4(C)C)cn2)CC1,KRXHLNCHSNMQCV-UHFFFAOYSA-N
-rxn:5:188448:226414:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)c([N+](=O)[O-])cc1-c1ccc(C2=NCCCO2)cc1,GDRJJQOZSDKPKJ-UHFFFAOYSA-N
-rxn:5:188930:227449:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCOCC3)s2)cc1-c1cccnc1N1CCOCC1,RVAUKYKDOCJWEB-UHFFFAOYSA-N
-rxn:5:188932:223135:226643,COC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,UIPJEROZRANVEC-UHFFFAOYSA-N
-rxn:5:189001:226176:226330,COC(=O)C1(c2nc(-c3ccc(C(C)N4CCCC4)s3)ccc2-c2ccncc2C2CCCCC2)CC1,WGZOVAKSULTNSW-UHFFFAOYSA-N
-rxn:5:189207:226767:227932,COCc1ccc(C)c(-c2ccc(-c3cc(OC)ccc3C(F)(F)F)cc2C(=O)ON2C(=O)CCC2=O)c1,QNRHKXATMIDPQF-UHFFFAOYSA-N
-rxn:5:189207:227069:223138,COc1ccc(-c2ccc(-c3ccnc(C4CCNCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)c(C(C)C)c1,APNJEVZSFDJEHM-UHFFFAOYSA-N
-rxn:5:189208:228728:225617,COc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(OC4CCCCO4)cc3)c2)cc1C,XWRUKTOGXJNHPZ-UHFFFAOYSA-N
-rxn:5:189209:225945:226035,COc1ccc(C(F)(F)F)c(F)c1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C#CC(F)(F)F)c(F)c2)c1,FTFGYGMBBDIRNT-UHFFFAOYSA-N
-rxn:5:189209:226414:223063,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3=NCCCO3)cc2)cc(-c2cc(F)nc(C3CCNCC3)c2)c1,XNKZXLXFZCLRNT-UHFFFAOYSA-N
-rxn:5:189212:226414:223061,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(C3=NCCCO3)cc2)c1,ZEWFLYYXYZJYLB-UHFFFAOYSA-N
-rxn:5:189321:225439:223062,CC(c1cccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(C(=O)OC(C)(C)C)n2)c1)N1CCCC1,VBOIQPFOGWJAJZ-UHFFFAOYSA-N
-rxn:5:189671:225591:227095,CC(C)(C)S(=O)/N=C/c1c(-c2ccc(C3CC(=O)C3)cc2)cccc1-c1cc(CN2CCCC2)ccc1F,NCKRGDOQUXCZGH-QXUDOOCXSA-N
-rxn:5:189829:226591:227801,COc1c(-c2ccc(OC(C)C)c(F)c2F)cc(C(=O)N2CCCC2)cc1-c1c(C(F)(F)F)ccnc1F,QAYKKCRHLCSQND-UHFFFAOYSA-N
-rxn:5:189952:222417:225803,COc1c(-c2ccnc(OC3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,FPPJUBAAQPFSOC-UHFFFAOYSA-N
-rxn:5:189952:228338:227403,COc1c(-c2ccc(N3CCCCC3)s2)cc(C(=O)N2CCOCC2)cc1-c1cnc(OC2CCC2)s1,HOOPDLPHLODOND-UHFFFAOYSA-N
-rxn:5:190001:223189:227048,CC(C)C(=O)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(NS(C)(=O)=O)cc2F)cc1,HYVDIMQULMQXLU-UHFFFAOYSA-N
-rxn:5:190001:225499:225671,O=C(Cc1ccc(-c2cc(C3CCCCC3)ncc2F)c(-c2ccc(C3CCCCC3)cc2F)c1)N1CCCCC1,FUIKMRUBBDNKQT-UHFFFAOYSA-N
-rxn:5:190097:225603:225815,N#CC1(c2cccc(-c3ccc(-c4ccc(C5CC5)cc4C(F)(F)F)c(CCN4CCCCC4)c3)c2F)CCC1,IXQXROMTPIKZGR-UHFFFAOYSA-N
-rxn:5:190132:228811:225499,COC1CCN(C(=O)c2ccc(-c3cc(SC)ccc3F)cc2-c2ccc(C3CCCCC3)cc2F)CC1,FYZAAGSDYXXWAS-UHFFFAOYSA-N
-rxn:5:190177:228496:226583,O=C1CC(Sc2ccc(-c3ccc(CN4CCOCC4)s3)cc2)C(=O)N1c1ccc(-c2cnn(CC(F)(F)F)c2)cc1,GNJYFQDSNGOMSF-UHFFFAOYSA-N
-rxn:5:190194:226131:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccccc2CN2CCCC2)c1OC,HKVKTHJBTVWRIV-UHFFFAOYSA-N
-rxn:5:190194:226437:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCC3)ncc2F)c1OC,IZRDVQFPNMNJLM-UHFFFAOYSA-N
-rxn:5:190194:227349:225498,COc1cc(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)ccc2F)c1OC,RTYCTESLUIBQPZ-UHFFFAOYSA-N
-rxn:5:190195:223388:223004,CN(Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)c(-c2ccc(C3CCNCC3)c(F)c2)c1)C1CCOCC1,JNYGHOOAUJHQLE-UHFFFAOYSA-N
-rxn:5:190196:225924:227044,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(C(=O)C3CC3)cc2)c1,RRAXUEBVNRRHGP-UHFFFAOYSA-N
-rxn:5:190197:228473:223062,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cc([N+](=O)[O-])ccc1F)C1CCOCC1,DKSGHUPOMKMMJU-UHFFFAOYSA-N
-rxn:5:190198:226835:225589,CC(C)n1nc(C(F)(F)F)cc1-c1cccc(-c2ccc(CN3CCSCC3)cc2)c1CN(C)C1CCOCC1,DWUFJZTUUKYIHK-UHFFFAOYSA-N
-rxn:5:190199:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)c(CN(C)C2CCOCC2)c1,MMIVTMLZPCPGFF-UHFFFAOYSA-N
-rxn:5:190201:225803:226782,COC(=O)c1cc(F)c(-c2ccc(-c3ccnc(OC4CCOCC4)c3)cc2CCN2CCOC(C)C2)cc1F,IUHBQIRWJCADRG-UHFFFAOYSA-N
-rxn:5:190201:225886:225988,CC1CN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2c(F)cc(C3OCCO3)cc2F)CCO1,KBAWNNFSMCYQHR-UHFFFAOYSA-N
-rxn:5:190201:227558:226318,Cc1cc(OC(F)F)ccc1-c1ccc(-c2cc(C3CC3)nc(N(C)C)c2)c(CCN2CCOC(C)C2)c1,FYPOAILYOVCONT-UHFFFAOYSA-N
-rxn:5:190231:223113:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,LUSXXLHVJVSTCH-UHFFFAOYSA-N
-rxn:5:190335:222994:228583,COc1c(-c2cccc(N3CCC(O)CC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccnc(C(C)C)c1,OWHWJHGGFJUVCX-UHFFFAOYSA-N
-rxn:5:190335:223438:227358,CCOc1cc(C)cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cn[nH]c3C(F)(F)F)c2OC)c1F,DOKVXQYHLSPYBJ-UHFFFAOYSA-N
-rxn:5:190335:225448:227701,COC(=O)c1cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cc(C)ccc3OC3CCCC3)c2OC)c(F)cn1,UHPMNQNVRQTLNQ-UHFFFAOYSA-N
-rxn:5:190336:226899:228827,COc1c(-c2cc(F)c(F)cc2C)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],TWPNAVUYUBEMBE-UHFFFAOYSA-N
-rxn:5:190337:225454:227306,COc1c(-c2ccc(C3=CCN(C)CC3)cc2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc(OC(C)C)nc1C,JSZNUFGVUYBCJO-UHFFFAOYSA-N
-rxn:5:190484:227703:223240,COC(=O)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCNC5)nc4)S(=O)(=O)CC3)c2)cnc1F,ROANATTZCGKWHR-UHFFFAOYSA-N
-rxn:5:190484:227768:227832,Cc1cc(C2CC2)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cccn3S(=O)(=O)N(C)C)c2)CCS1(=O)=O,KWSZRJLIJMPFNX-UHFFFAOYSA-N
-rxn:5:190484:227906:227415,CCC(C)c1ncccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C)nc3F)S(=O)(=O)CC2)c1,DHYVAXSUYZCOPR-UHFFFAOYSA-N
-rxn:5:190711:225976:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2n1C,JACBFLCWTVWFIE-UHFFFAOYSA-N
-rxn:5:190740:223056:223062,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cnc(C2CCNCC2)cc1F,ISPAJWJSAJSXIX-UHFFFAOYSA-N
-rxn:5:190740:223061:225982,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cnc(N2CCOCC2)cc1F,GHGSTRAJOVWZDK-UHFFFAOYSA-N
-rxn:5:190740:225834:225784,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,RAPXBOFROKOPPU-UHFFFAOYSA-N
-rxn:5:190740:225980:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,PWUXUNNGPDZPJY-UHFFFAOYSA-N
-rxn:5:190741:225607:223064,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,WEUMDKPAEJHIHY-UHFFFAOYSA-N
-rxn:5:190741:225980:225976,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,VLPYGWQLOVEARN-UHFFFAOYSA-N
-rxn:5:190741:225982:223056,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,BWJKSWKUEXNYOM-UHFFFAOYSA-N
-rxn:5:190741:226330:225978,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCC4)s3)cc(C)cc2c1-c1ccc(N2CCOCC2)nc1F,DWIVYQJCKAVYLP-UHFFFAOYSA-N
-rxn:5:190742:223065:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cnc(N2CCOCC2)cc1F,XJXOGUIYBSTTKV-UHFFFAOYSA-N
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-rxn:5:190742:226330:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)s3)c2c1-c1cnc(N2CCOCC2)cc1F,RYPZHWSMHPJARM-UHFFFAOYSA-N
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-rxn:5:190799:226154:223018,COc1cc(C(C)(C)C)ccc1-c1c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)ccc2c1ccn2C(=O)OC(C)(C)C,TVTFTDQWDMRBJQ-UHFFFAOYSA-N
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-rxn:5:193382:225805:223200,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNC4)cc3)c2)s1)N1CCOCC1,MIKXEZWDCQVDOC-UHFFFAOYSA-N
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-rxn:5:193506:227375:227085,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)nc3)cc2-c2ccc(C3CCCC3)nc2)CC1,JYJCVUNIMBPIOW-UHFFFAOYSA-N
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-rxn:5:193752:225934:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(C(=O)N2CCCC(C)C2)ccc1-c1cnc(C(F)(F)F)c(C2CC2)c1,YPUCTIARJSCVAT-UHFFFAOYSA-N
-rxn:5:193756:225602:227707,CC1CCCCN1C(=O)c1ccc(-c2cc(C3(C#N)CCC3)ccc2F)cc1-c1ccccc1OC(F)(F)F,LAKHDABRZGEDOA-UHFFFAOYSA-N
-rxn:5:193807:222991:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cccc(CN2CCC(C)CC2)c1-c1ccc(N2CCCC(O)C2)cc1,BMOPGKUQOYTILO-UHFFFAOYSA-N
-rxn:5:193808:225677:227348,COc1ccc(-c2ccc(-c3ccc(C4CCCCC4)nc3F)cc2CN2CCC(C)CC2)c(C)c1OC,QQEZKWPRVAETEL-UHFFFAOYSA-N
-rxn:5:193809:228502:226330,CC1CCN(Cc2ccc(-c3nn(C)cc3C(F)(F)F)cc2-c2ccc(C(C)N3CCCC3)s2)CC1,ZRNBYVNACIVMJS-UHFFFAOYSA-N
-rxn:5:193866:227591:227309,CCC(C)c1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc(C(F)F)cc2OC)cc(F)n1,GTYKIRYUCIMCFL-UHFFFAOYSA-N
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-rxn:5:193869:228506:225633,CCCc1ccccc1-c1cc(C)c(-c2ccc(N3CCCCCC3)nc2)cc1S(=O)(=O)N1CCCCC1,HDASUWOPVZSPLZ-UHFFFAOYSA-N
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-rxn:5:193972:226663:226664,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCCC2)ncc1F,KNKPLRDLTIUNAP-UHFFFAOYSA-N
-rxn:5:193972:227093:228012,Cc1cc(-c2cccnc2C2CCCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(F)c1C1CC1,NMRXPPHOGZOGTP-UHFFFAOYSA-N
-rxn:5:193972:227403:228630,CCc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)s3)cc2C)c1,WDMHXISBCOBBEK-UHFFFAOYSA-N
-rxn:5:193972:227826:227379,Cc1cc(-c2cccc(C(C)(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1N1CCCC1,NBZANLNQRNIOKQ-UHFFFAOYSA-N
-rxn:5:193972:228243:225849,CC(=O)c1cccc(-c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2S(=O)(=O)N2CCCCCC2)c1F,SMGYGDGDFIVDHS-UHFFFAOYSA-N
-rxn:5:193972:228504:225633,Cc1cc(-c2cccc3c2CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,GFMOXDQAJVLFEL-UHFFFAOYSA-N
-rxn:5:193972:228584:225834,Cc1cc(-c2ccnc(C3CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCCCC2)ncc1F,FRIHAHJRVBXETR-UHFFFAOYSA-N
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-rxn:5:193972:228717:227671,Cc1cc(-c2cn(C3CC3)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cccc1C(F)(F)F,IIROCFDPHCENKR-UHFFFAOYSA-N
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-rxn:5:194058:222957:223054,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cc(C2CCCNC2)c1,ILZIEBMCTFUQHK-UHFFFAOYSA-M
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-rxn:5:194397:226588:223018,CC1(C)Oc2ccc(-c3ccc(C(=O)N4CC5CC5C4)c(-c4cc(OC5CCC5)ncc4F)c3)cc2NC1=O,MQYRAYOZJPDSAE-UHFFFAOYSA-N
-rxn:5:194397:228194:225499,Cc1nn(C(C)C)c(C)c1-c1cc(-c2ccc(C3CCCCC3)cc2F)ccc1C(=O)N1CC2CC2C1,VHVSXADZPXGGMN-UHFFFAOYSA-N
-rxn:5:194561:223388:226664,O=C(c1cc(-c2ccc(S(=O)(=O)O)cc2)ccc1-c1cc(N2CCCC2)ncc1F)N1C2CCC1COC2,GUFSRFAATLKUEX-UHFFFAOYSA-N
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-rxn:5:194767:223141:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(C5CCNCC5)c4)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,OLUFKURBHOQIHO-UHFFFAOYSA-N
-rxn:5:194792:226064:227554,COC(=O)c1c(F)cccc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,CUZRFJXCRARUJW-UHFFFAOYSA-N
-rxn:5:194792:228450:223442,CNc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cc(C)c(F)c(F)c6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1,ICFNRMPQGDHJKL-UHFFFAOYSA-N
-rxn:5:196408:222987:225880,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2cc(C3CCOCC3)ncc2F)ccc1C1=NOCCO1,RKRMNIVMFNUBSM-UHFFFAOYSA-N
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-rxn:5:196670:225832:225407,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2ccc(C3CCCCCC3)cc2)c1C1CCCC1,HSEYKIHGOHXQCQ-UHFFFAOYSA-N
-rxn:5:196794:223141:225834,O=C1COCCN1c1cc(-c2cncc(C3CCNCC3)c2)ccc1-c1cc(N2CCCCC2)ncc1F,BXAMYVSBFSGSHN-UHFFFAOYSA-N
-rxn:5:196795:225652:226158,CC1CCCN(c2cncc(-c3cc(N4CCOCC4=O)ccc3-c3ccccc3N3CCCCC3)c2)C1,QHFDJICXZIULFG-UHFFFAOYSA-N
-rxn:5:196858:222957:226654,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2csc(N3CCC(C)CC3)n2)cc(C2CCCNC2)c1,BVYHYONMMQUMEZ-UHFFFAOYSA-N
-rxn:5:196858:226686:223000,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccc(C2CCCNC2)c(F)c1,JUNWIUXYVNTEQQ-UHFFFAOYSA-N
-rxn:5:196859:222996:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCOCC2)c1-c1ccc(F)cc1C1CCCNC1,UKMQCUJUNHRNJT-UHFFFAOYSA-N
-rxn:5:196871:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCO3)c2)cc1N1CCOCC1,AARNUJLINXWPEI-UHFFFAOYSA-N
-rxn:5:196916:223062:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCCC2=O)c(-c2cnc(C3CCNCC3)cc2F)c1,JHNATOYJYJUBNX-UHFFFAOYSA-N
-rxn:5:196917:223133:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccccc2N2CCNCC2)=N1,KZAHCJWWQCJVRA-UHFFFAOYSA-N
-rxn:5:196917:225985:226432,CC1(C)COC(c2cc(-c3ccc(C4CCCC4)nc3F)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,YFHNSICZDCQOGM-UHFFFAOYSA-N
-rxn:5:196917:226181:225986,CC1(C)COC(c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2-c2ccc(C3=CCCCC3)nc2)=N1,VGKWSXGACTZCBM-UHFFFAOYSA-N
-rxn:5:196917:226679:225926,CC1(C)COC(c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2-c2cnc(N3CCCC3)cc2F)=N1,OACVKLDPVINEEX-UHFFFAOYSA-N
-rxn:5:196918:226898:226174,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cccc(N2CCCCC2=O)c1-c1ccc(C2CCCCC2)nc1,GKRQTDCKJFEWGP-UHFFFAOYSA-N
-rxn:5:196919:225985:223133,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccccc2N2CCNCC2)=N1,HKHMVTPMVYOENY-UHFFFAOYSA-N
-rxn:5:196969:226686:223063,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCCCC2)cc1-c1cc(F)nc(C2CCNCC2)c1,LQIGZTOFSBSBRH-UHFFFAOYSA-N
-rxn:5:196970:226413:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cccc(N2CCOCC2)c1,CKDKVABVQKZLTO-UHFFFAOYSA-N
-rxn:5:196971:223064:222986,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ncc2C2CCCCC2)cc(C2CCCNC2)n1,KOSVTBPBKPQPMK-UHFFFAOYSA-N
-rxn:5:196979:225832:227119,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCCC3)cs2)cc(N2CCCCC2)c1,BAEOCTGJPOBVDW-UHFFFAOYSA-N
-rxn:5:197876:223113:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,DPQBEDHPBXYHDS-UHFFFAOYSA-N
-rxn:5:197876:223113:228383,Cc1cc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,JHNUWGCAPGMYJH-UHFFFAOYSA-N
-rxn:5:222960:194058:225805,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCOCC3)s2)cc(C2CCNCC2)c1,XGPPDQDZQVIMOQ-UHFFFAOYSA-M
-rxn:5:222985:183189:223002,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccc(C3CCNCC3)cc2F)cc2c1OC(C)(C)OC2,GJFHLGRSGNZITN-UHFFFAOYSA-N
-rxn:5:223008:196858:222988,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(C3CCNCC3)ccc2F)cc(C2CCNCC2)n1,IFXWIZTVFKDFIW-UHFFFAOYSA-N
-rxn:5:223061:193809:227710,CC1CCN(Cc2ccc(-c3cc(C4CCNCC4)ncc3F)cc2-c2ccc(OS(C)(=O)=O)cc2)CC1,PCUBWBJBNYKHRH-UHFFFAOYSA-N
-rxn:5:223065:193808:227710,CC1CCN(Cc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2ccc(OS(C)(=O)=O)cc2)CC1,GMDFPLKPPWCQEV-UHFFFAOYSA-N
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-rxn:5:225633:193972:229029,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCCC4)nc3)cc2C)ccc1F,QHBWHDJBYYPXAH-UHFFFAOYSA-N
-rxn:5:225636:181905:222987,Cc1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1-c1ccnc(N2CCC(C)CC2)c1,PYSICIOWRUXVLE-UHFFFAOYSA-N
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-rxn:5:225677:193809:227587,COc1cc(-c2cc(-c3ccc(C4CCCCC4)nc3F)ccc2CN2CCC(C)CC2)cc(F)c1OC,XMYHYYFPDISTIB-UHFFFAOYSA-N
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-rxn:5:225832:180422:223138,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccnc(C2CCNCC2)c1,QQQRVQNMMWIRFE-UHFFFAOYSA-N
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-rxn:5:225881:196971:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCOCC3)nc2F)ncc1C1CCCCC1,XIQCAFJBZLBOKM-UHFFFAOYSA-N
-rxn:5:226058:178295:228567,CCC(C)c1sccc1-c1ccc(-c2c(C(C)C)cccc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,YNQWXNUDWOHIJX-UHFFFAOYSA-N
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-rxn:5:226395:193972:228613,CCc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)cc1F,RTESNEOFYRLOTA-UHFFFAOYSA-N
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-rxn:5:226425:177190:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCCCC3C)s2)c1,BTZYJRVGQTWNNJ-UHFFFAOYSA-N
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-rxn:5:226686:193336:223140,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCOCC2)c1-c1ccnc(C2CCCNC2)c1,NHHDKBDXOZJIJP-UHFFFAOYSA-N
-rxn:5:226686:196408:223064,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C1=NOCCO1,UWMGKTDKWOKNAE-UHFFFAOYSA-N
-rxn:5:226686:196970:222959,Cc1cc(-c2nccc(C3CCCCC3)c2-c2c(C)cnn2C2CCCCO2)ccc1C1CCNCC1,XMIUNDLTVZZWNO-UHFFFAOYSA-N
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-rxn:5:226911:178295:227832,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C3CC3)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,JMEJIVNCDFKPQU-UHFFFAOYSA-N
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-rxn:5:226912:178295:227966,COC(=O)C1(c2cc(-c3cccnc3C(C)(C)C)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,NLABXRCKWRXQOR-UHFFFAOYSA-N
-rxn:5:226913:193869:227376,CCc1cc(-c2cc(C)c(-c3cncc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,WXCUUHYWMNWJBC-UHFFFAOYSA-N
-rxn:5:226914:178295:227415,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3F)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,YUPFTLWBGSEQKZ-UHFFFAOYSA-N
-rxn:5:226916:178295:228142,CCCc1cc(-c2ccc(-c3cccc(C4=CCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,CHSKHWJSPSHXNI-UHFFFAOYSA-N
-rxn:5:226920:178295:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RFPAWRMVOVRCMY-UHFFFAOYSA-N
-rxn:5:226922:178295:227942,CCc1ccc(-c2ccc(-c3c(C)cc(C4CC4)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,YZTVPMJJKWAOKK-UHFFFAOYSA-N
-rxn:5:226969:178295:227297,COC(=O)C1(c2cc(-c3cc(CN(C)C)ccc3F)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,RHLBPPPNJOEZIV-UHFFFAOYSA-N
-rxn:5:226969:178295:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,MVOUGQJSZSINCQ-UHFFFAOYSA-N
-rxn:5:227038:178295:228154,COC(=O)C1(c2cc(-c3c(OC)cccc3OC)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,CWOUOBOGGAEOBU-UHFFFAOYSA-N
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-rxn:5:227079:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(CC(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,ISMXQKYVXNJFQP-UHFFFAOYSA-N
-rxn:5:227187:178295:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2cccc3c2CN(C)C3=O)CCC(=O)CC1,PORTZSRFWBIEOO-UHFFFAOYSA-N
-rxn:5:227206:178295:227350,COC(=O)C1(c2cc(-c3c(OC)cc(C)cc3OC)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,IAMKNLQKLMUICG-UHFFFAOYSA-N
-rxn:5:227207:178295:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2cccc3c2OCCC3=O)CCC(=O)CC1,HMTXOPJKEXHNPV-UHFFFAOYSA-N
-rxn:5:227276:178295:227811,CCc1cc(N(C)C)ncc1-c1ccc(-c2ccc(CC(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,MFNDEQVESZFHNK-UHFFFAOYSA-N
-rxn:5:227309:178295:227946,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)(C)C)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,USLJAGQRNCLKFF-UHFFFAOYSA-N
-rxn:5:227311:178295:228255,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PGEGXASYLNOZPF-UHFFFAOYSA-N
-rxn:5:227319:178295:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2cc(CC(C)C)ncc2F)CCC(=O)CC1,ZOVSHYGICWAMFN-UHFFFAOYSA-N
-rxn:5:227330:178295:228189,CCSc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NVJPBBPTYRUIFZ-UHFFFAOYSA-N
-rxn:5:227346:178295:228401,CCCc1cc(F)c(-c2ccc(-c3c(F)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,LFOJFQDNJPNPGM-UHFFFAOYSA-N
-rxn:5:227387:193869:227100,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)cc(C2CC2)cc1F,ZWNOOSHFGCVNNZ-UHFFFAOYSA-N
-rxn:5:227387:193870:227100,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)cc(C3CC3)cc2F)cc1-c1ccnc(N2CCCC2)c1,RAJFKSOKMYQMEK-UHFFFAOYSA-N
-rxn:5:227387:193870:227107,Cc1cc(-c2cc(-c3ccnc(N4CCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c(F)c(C2CC2)c1,SRVHRVUBHLXKRX-UHFFFAOYSA-N
-rxn:5:227390:180022:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,ATUASKCMPDOVAF-UHFFFAOYSA-N
-rxn:5:227403:193972:228630,CCc1cc(F)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCCC4)s3)cc2C)c1,WDMHXISBCOBBEK-UHFFFAOYSA-N
-rxn:5:227415:178295:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccc(C(C)(C)C)nc2F)CCC(=O)CC1,LPUAVQNFKZISJG-UHFFFAOYSA-N
-rxn:5:227525:178295:227817,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccccc2CC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,JMMPWQFWEXJERB-UHFFFAOYSA-N
-rxn:5:227525:178295:228400,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(F)c(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,ZFLALNHOKQKNCI-UHFFFAOYSA-N
-rxn:5:227530:178295:227813,CCc1cccc(CC)c1-c1ccc(-c2cc(C(=O)OC)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,YOTWPAFAVCZEPT-UHFFFAOYSA-N
-rxn:5:227554:178295:228142,CCCc1cc(-c2ccc(-c3cccc(F)c3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,BBBAZKGVTRMNOZ-UHFFFAOYSA-N
-rxn:5:227562:190194:226064,COc1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2)c1OC,IHEFPJOFSRQGNW-UHFFFAOYSA-N
-rxn:5:227592:178295:228078,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4=O)ccc2-c2cc(F)cc(OC)c2OC)CCC(=O)CC1,BWMSDUILJIFTQG-UHFFFAOYSA-N
-rxn:5:227807:178295:227346,CCCc1cc(F)c(-c2ccc(-c3cccc4c3CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,GZTWBCRKWYSMRA-UHFFFAOYSA-N
-rxn:5:227807:193866:225454,CN1CC=C(c2ccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3cccc4c3CCCC4)cc2)CC1,NDVOCLIOXGTAIX-UHFFFAOYSA-N
-rxn:5:227810:178295:227079,CCC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,KCGOFHKRRFUXDZ-UHFFFAOYSA-N
-rxn:5:227810:178295:227106,CCC(C)c1ccc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,LUWOUTSQDMWZLT-UHFFFAOYSA-N
-rxn:5:227810:178295:228002,CCC(C)c1ccc(-c2ccc(-c3sccc3C3CCCC3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,BONIFCVIXIPKAP-UHFFFAOYSA-N
-rxn:5:227810:191026:227087,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)cnc4C(C)(C)C)c2)C=C(C(=O)OC)S3(=O)=O)cc1,AGSKMXQFOHLULD-UHFFFAOYSA-N
-rxn:5:227816:178295:227078,CCCc1ccc(-c2ccc(-c3cc(OC)ccc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,VJXCIDRJEGCNHM-UHFFFAOYSA-N
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-rxn:5:227819:178295:227531,CCc1cc(CC)cc(-c2ccc(-c3cc(F)cc(C(=O)OC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XYRRYLTZMMJVMP-UHFFFAOYSA-N
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-rxn:5:227905:178295:227065,COC(=O)C1(c2cc(-c3cccc(C(=O)C(C)C)c3)ccc2-c2ccnc(CC(C)C)c2)CCC(=O)CC1,YNOPIABQLBOHNH-UHFFFAOYSA-N
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-rxn:5:227933:178295:226580,CCc1ccc(OC)cc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,OLOMDYOXBSJRBS-UHFFFAOYSA-N
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-rxn:5:227935:190194:225437,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(CN3CCCCC3)c2)ccc1OC,WZFLWUKEQLUZPJ-UHFFFAOYSA-N
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-rxn:5:227941:178295:227353,COCc1cc(C)cc(-c2ccc(-c3c(C)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AFEVKJSQNLVKTM-UHFFFAOYSA-N
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-rxn:4:174663:223276,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccnc(-c3ncc[nH]3)c2)cc1,DNBHXTRUSAGWHY-FVTPAXNCSA-N
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-rxn:4:175606:223814,COC(=O)c1cc(F)c(OC2CCOC2)cc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,GFFFFLMURJEDRT-UHFFFAOYSA-N
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-rxn:4:176168:222808,CC(C)NC(=O)c1cc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)cc([N+](=O)[O-])c1,XQLQFKOKUMKCSS-UHFFFAOYSA-N
-rxn:4:176235:222647,CC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C)c(NC(=O)OC(C)(C)C)cc3C)c1)C2=O,HESSKSUJADNCNN-UHFFFAOYSA-N
-rxn:4:176412:223785,CCN1CCN(CCOc2ccc(-c3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2Cl)CC1,GEVNTQNOBHTDJU-UHFFFAOYSA-N
-rxn:4:176519:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cc(F)c(C(=O)C(F)(F)C(F)(F)F)c(F)c2)c1,GOLFLLLQAZEZBR-UHFFFAOYSA-N
-rxn:4:176885:223503,COC(=O)c1cc(F)cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1OC,RJYBOBVMCAECSF-UHFFFAOYSA-N
-rxn:4:177046:223559,COC(=O)C1OC1c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,PWYAYIBYDSUZFR-UHFFFAOYSA-N
-rxn:4:177380:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc(C4(C(=O)OC)CC4)c3)c(F)c2)CC1,QHMNOMYIWNVBDR-MXVIHJGJSA-N
-rxn:4:178381:222866,CC(C)(C)OC(=O)Nc1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,SGFGANZDGJCQLA-UHFFFAOYSA-N
-rxn:4:178384:225251,CCOC(=O)c1cnn2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cc12,MHHOHCXTUJZSLA-UHFFFAOYSA-N
-rxn:4:178384:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,PYBNLRJNMMTPGD-UHFFFAOYSA-N
-rxn:4:178420:223481,COC(=O)c1sc2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2c1C(F)(F)F,MZUSLSMVNJTGIA-UHFFFAOYSA-N
-rxn:4:178597:225065,Cc1ccc(-c2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cnc2Cl)cc1,LYDVGHLJSDPVLV-UHFFFAOYSA-N
-rxn:4:178597:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,TXMUBTQXVOLLCF-UHFFFAOYSA-N
-rxn:4:178637:223520,CC(c1ccc(-c2cc(F)ccc2OC(F)F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,YACWMSPLFMQBIJ-UHFFFAOYSA-N
-rxn:4:179995:223534,Cc1c(F)ccc(OC(C)C)c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,OKVPLMYTPVGIBP-UHFFFAOYSA-N
-rxn:4:180258:223505,Cc1cc(OC(C)(C)C)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,RRTZVPQQEFKTLV-UHFFFAOYSA-N
-rxn:4:180683:224409,COC(=O)C1(F)Cc2ccc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)cc2C(=O)O1,PUDQAEMVTJQZOW-UHFFFAOYSA-N
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-rxn:4:180815:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,OECKYGFGFFUKOF-UHFFFAOYSA-N
-rxn:4:180815:224782,COc1ccc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,YJWKSRPGMVWLRK-UHFFFAOYSA-N
-rxn:4:180815:224968,COc1ccc(-c2cc(C)ccc2OCC2CCCO2)cc1C12CC3CC(CC(C3)C1)C2,TVABCCVAGXJJLF-UHFFFAOYSA-N
-rxn:4:180856:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc21,XQGPEGQKZNODKB-UHFFFAOYSA-N
-rxn:4:181631:223606,O=C1CC(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2F)C1,GNHYNAFNFHZKCS-UHFFFAOYSA-N
-rxn:4:182372:222655,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)cc1C2=O,HFEMXFOUIAEZPF-RSIILCRJSA-N
-rxn:4:182372:224563,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C)cc3O[Si](C)(C)C(C)(C)C)cc1C2=O,DGLPUHFKLRXDFY-RSIILCRJSA-N
-rxn:4:182416:223275,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(-c3ncc[nH]3)nc2)cc1,ILBRSJNSBKEXKY-UHFFFAOYSA-N
-rxn:4:182416:223290,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2-c2nnn[nH]2)cc1,IALQQRQJTQNRLA-UHFFFAOYSA-N
-rxn:4:182416:223466,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cn[nH]c2)cc1,ORBYPLAPVYFAHM-UHFFFAOYSA-N
-rxn:4:182416:224001,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1,NWIZLHYUKXDECE-UHFFFAOYSA-N
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-rxn:4:182416:227726,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cnc(-n3cccn3)nc2)cc1,NPRGUNHTDHLWJI-UHFFFAOYSA-N
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-rxn:4:183262:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)C(=O)CC3(CCOCC3)O4)s2)CC1,GBPQAODDZVREOV-UHFFFAOYSA-N
-rxn:4:183274:226124,COCc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,LVJWABVKHHEPGO-UHFFFAOYSA-N
-rxn:4:183274:228440,COc1cc(Cl)c(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,LTOWYURAYNRBQW-UHFFFAOYSA-N
-rxn:4:183274:229085,c1nc(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)s1,KEKKVJMNRGBSHY-UHFFFAOYSA-N
-rxn:4:183274:229128,Cc1ncc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,IMHGJQCCBPASNL-UHFFFAOYSA-N
-rxn:4:183379:225043,CC1(C)C=Cc2c3c(cc(-c4ccc(OC5CCCCC5)c(F)c4)c2O1)C(=O)OC(C)(C)O3,RUOYLRAKEURGDQ-UHFFFAOYSA-N
-rxn:4:183592:224772,CCOC(=O)C(C)Oc1c(-c2ccc(C(=O)N3CCOCC3)cc2Cl)cccc1[N+](=O)[O-],BYTKWYNLDNEQMW-UHFFFAOYSA-N
-rxn:4:183603:222802,Cc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN(C)C)c(S(=O)(=O)NC(C)(C)C)c1,GPJSKWCXOVVWNB-UHFFFAOYSA-N
-rxn:4:183668:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c(F)c1,RRTXFPSCOXLLKL-UHFFFAOYSA-N
-rxn:4:183885:225938,FC(F)(F)c1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)c(C2CC2)cn1,YZMFPOQDMDKMOA-UHFFFAOYSA-N
-rxn:4:183901:225829,CCN(Cc1cc(-c2cnc(N3CCC(C)CC3)nc2)cc(C)c1F)C(=O)OC(C)(C)C,DDMYNJJATDDJIE-UHFFFAOYSA-N
-rxn:4:183937:225883,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1cnc(C2CCOCC2)c(Cl)c1)C1CCC1,RKXQOFNAHLJVLL-UHFFFAOYSA-N
-rxn:4:183942:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(OC)cc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,XQVUKHRRJSXTAP-UHFFFAOYSA-N
-rxn:4:183961:224163,Cc1c(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)ccc2c1cnn2C1CCCCO1,HCZGQQAINMOCOO-YMQLSTQVSA-N
-rxn:4:183969:225903,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)N(C)OC)c3)c(OC)c2)CC1,IIZMUSDHSACKEM-UHFFFAOYSA-N
-rxn:4:183970:224742,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(C4OCCO4)c(OC)cc3OC)ccc2OC)CC1,QITYBTFEPFHPFQ-UHFFFAOYSA-N
-rxn:4:184021:223828,CCN1CCN(c2cc(-c3c(Cl)cccc3CN(C(=O)OC(C)(C)C)C3CCOCC3)cc(C(F)(F)F)c2)CC1,ZJOJFKHAPRBECB-UHFFFAOYSA-N
-rxn:4:184022:227758,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2cc(F)ccc2C(F)(F)F)CC1,NVZNNUZOVYBGDB-UHFFFAOYSA-N
-rxn:4:184025:223683,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)ccc2Cl)CC1,HMDNEJHUWFFHAA-UHFFFAOYSA-N
-rxn:4:184054:222988,Cc1cc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)cc2)cc(C2CCNCC2)n1,LAFKJWWBZYPZLO-UHFFFAOYSA-N
-rxn:4:184070:223111,COC(=O)C1(c2ccc(-c3cccc4[nH]nc(C(C)C)c34)cc2C)CCN(C(=O)OC(C)(C)C)C1,LLKLLEGIDWMPSS-UHFFFAOYSA-N
-rxn:4:184099:224842,CC(c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,DFAKAFKRORUAIK-UHFFFAOYSA-N
-rxn:4:184188:224420,Cc1cc2c(cc1-c1ccc(CN(C(=O)OC(C)(C)C)C3CCC3)c3ccccc13)C(C)(C)CCC2(C)C,UCVHJSJVEHEHKB-UHFFFAOYSA-N
-rxn:4:184189:227312,CCC(C)c1ccc(-c2ccc3c(CC(=O)N4CCC(C(=O)OC)CC4)c(OC)ccc3c2)c(F)n1,IQTMRSAWIOCLQS-UHFFFAOYSA-N
-rxn:4:184408:222537,COC(=O)Cc1c(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)ccc(C(F)F)c1C#N,WZXUVSTVNYRXJU-UHFFFAOYSA-N
-rxn:4:184431:224399,CCOC(=O)c1c(C#N)ccc(C(F)F)c1-c1ccc(N2CCOCC2)cc1C(F)(F)F,JZVRWMOMAAVFLL-UHFFFAOYSA-N
-rxn:4:184480:224765,CCOC(=O)c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)ccc2N2CCCC2)c1C#N,TWTJVEADEOVRAW-UHFFFAOYSA-N
-rxn:4:184736:224750,O=C(c1cc(-c2ccccc2C(=O)N2CC(OCC(F)(F)F)C2)ccc1Cl)N1CCOCC1,ZWIXIFGRLBMHPP-UHFFFAOYSA-N
-rxn:4:184738:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)N2CCC2)c(OCC(F)(F)F)c1,KHJRLILFNJCZED-UHFFFAOYSA-N
-rxn:4:184739:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cc(C(F)(F)F)ccc2OCC(=O)N2CCC2)c1,NXXHTQGAJYWHJZ-UHFFFAOYSA-N
-rxn:4:184769:224484,CCN(CC)C(=O)c1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1C(F)(F)F,TXRPJVKJWONFQW-UHFFFAOYSA-N
-rxn:4:184886:223813,O=C(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c(OCC(F)(F)F)c1)N1CCCC1,WTFPYUOZRNSJLS-UHFFFAOYSA-N
-rxn:4:184886:225161,O=C(c1ccc(-c2ccc(F)c(C(=O)N3CCCC3)c2)c(OCC(F)(F)F)c1)N1CCCC1,NGVGGVBHXMQHJF-UHFFFAOYSA-N
-rxn:4:184913:224420,COC(=O)C1CN(Cc2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2OC)C1,IVPAGAVGFDAPQP-UHFFFAOYSA-N
-rxn:4:184923:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccc(C(=O)N3CCC3(F)F)c(OCC3CC3)c2)cn1,UHDXPRCDTHBWOK-UHFFFAOYSA-N
-rxn:4:184962:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)o1,IOWRQKMRMXHILU-UHFFFAOYSA-N
-rxn:4:184987:224690,CC(C)COc1cc(-c2ccc(CN3CCC(=O)CC3)cc2F)ccc1C(=O)N1CCC1,MZSVETPBIOEULU-UHFFFAOYSA-N
-rxn:4:185027:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccc(SC3CN(C(=O)OC(C)(C)C)C3)c2)cc1,XOWYZINYPQXCAS-UHFFFAOYSA-N
-rxn:4:185057:225340,CCOc1cc(-c2cc(C(F)(F)F)ccc2C(=O)N(C(C)C)C(C)C)ccc1OC(F)(F)F,BLWFBKDIJHYRIL-UHFFFAOYSA-N
-rxn:4:185088:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(C(=O)N(C(C)C)C(C)C)c(OC)c3)c2)CC1,MGIBVCCIXZKOFS-UHFFFAOYSA-N
-rxn:4:185102:226438,CC(C)CN(C(=O)c1ccc(-c2cnc(C3CCCC3)cc2F)o1)C1CCS(=O)(=O)C1,CAUXQFRBWZTUDM-UHFFFAOYSA-N
-rxn:4:185103:222960,CCCOc1ccc(-c2cc(C)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCOCC1,UFCXIWFZVIMUHK-UHFFFAOYSA-N
-rxn:4:185104:223569,CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)C1,TZVJIVBCPBIIQY-UHFFFAOYSA-N
-rxn:4:185124:223541,CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,CJRWUHYCDGGTQE-UHFFFAOYSA-N
-rxn:4:185144:223139,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)nc3)cc2)CC1,DKZKFBLEXCFTNJ-UHFFFAOYSA-N
-rxn:4:185150:222724,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)C1,HZTQGVROHJDJLP-UHFFFAOYSA-N
-rxn:4:185155:224660,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1CN1CCC(C(F)(F)F)CC1,ZDAPGYOVARDAHL-UHFFFAOYSA-N
-rxn:4:185157:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCCC(C(F)(F)F)C1,SWMQTQFWIHABPM-UHFFFAOYSA-N
-rxn:4:185158:224777,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c1,WEBRFEHRPXPLHF-UHFFFAOYSA-N
-rxn:4:185159:223021,COCCNC(=O)c1cccc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(=O)OC)c2)c1,QXWXFLLHGCYHLJ-UHFFFAOYSA-N
-rxn:4:185179:224829,COC(=O)c1ccc(-c2ccc(CN(C(=O)c3ccc(F)cc3)C3CCS(=O)(=O)C3)o2)cc1OC(F)(F)F,QXBICGWGKNLLNY-UHFFFAOYSA-N
-rxn:4:185195:225852,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCCC4)nc3Cl)cc2)C1,YIUNLBXDLCIWTD-UHFFFAOYSA-N
-rxn:4:185200:224883,COC(=O)c1ccc(-c2ccc(C(C)N3CCCCC3)cc2)c(CN2CCC(OC)CC2)c1,FWBJCGIVIMSSNU-UHFFFAOYSA-N
-rxn:4:185243:222508,CC(C)CN(C(=O)c1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)ccc2Cl)cc1)C1CCS(=O)(=O)C1,YLDQFRGYSZSJFO-UHFFFAOYSA-N
-rxn:4:185255:224155,COc1ccccc1C(=O)N(c1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1)C1C=CS(=O)(=O)C1,UTKZEEXLMWZYHF-UHFFFAOYSA-N
-rxn:4:185264:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3CN(CC(=O)OC(C)(C)C)C(=O)CO3)cc2)c1,IEFLSJOXYXLTMA-UHFFFAOYSA-N
-rxn:4:185266:227022,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(CN3CCC3)cc2)cc1,UWWUQPGHDOAPET-UHFFFAOYSA-N
-rxn:4:185340:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(OCc2ccccc2)c(C(=O)N2CCC(F)(F)CC2)c1,QIMMZSLWNSUALG-UHFFFAOYSA-N
-rxn:4:185370:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)OC(C)CN2C(C)CCCC2C)cc1,LPXWWIOHCOOVKR-UHFFFAOYSA-N
-rxn:4:185376:224389,Cc1ccn(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(S(=O)(=O)CC(C)C)C3)c(C(F)(F)F)c2)n1,JKLRMGLKCWVWBH-UHFFFAOYSA-N
-rxn:4:185397:223606,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1,BMDNKKIFEDKTFP-UHFFFAOYSA-N
-rxn:4:185408:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)c(C)c1,SYMANVCAIKGYAU-UHFFFAOYSA-N
-rxn:4:185409:223279,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CCCN4)nc3)cc(C3CC3)c2)C1,UEBYCKVCSGMWQM-UHFFFAOYSA-N
-rxn:4:185417:223979,CC(C)c1ccc(N(C(=O)c2ccc(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)cc2)C2C=CS(=O)(=O)C2)cc1,AQVMVZIBIVQAII-UHFFFAOYSA-N
-rxn:4:185439:228006,COc1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c(C)cc1C,IGCUCGYMLGNWFC-UHFFFAOYSA-N
-rxn:4:185470:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4c(C(F)(F)F)oc5cc(OCC#N)ccc5c4=O)cc3)cc2F)CC1,ZDTPQPRXTQWKPP-UHFFFAOYSA-N
-rxn:4:185491:222636,CON=CC(C)C(=O)c1ccc2c(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)c(OC)ccc2c1,QANBVSKNQMXHMU-MUMRKEEXSA-N
-rxn:4:185510:222678,COC(=O)c1cc(-c2ccc(CNC(=O)OC(C)(C)C)c(F)c2)cc2c1N(C(=O)OC(C)(C)C)CC2,NDTNVZMOFRWUOU-UHFFFAOYSA-N
-rxn:4:185511:223123,COC(=O)c1cc(-c2ccc(NC(=O)C(C)C)cc2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,FPLFVJRAYQDTNT-UHFFFAOYSA-N
-rxn:4:185588:224485,Cc1oc2cc(OC(=O)N3CCOCC3)ccc2c(=O)c1Oc1ccccc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,IXEAZFHIOGCTCU-UHFFFAOYSA-N
-rxn:4:185742:222542,Cc1ccc(-c2cc([N+](=O)[O-])cc(F)c2OCC(F)(F)F)cc1OCCCN1CCNCC1,XAUYXBYUQAGCFY-UHFFFAOYSA-N
-rxn:4:186164:223841,COC(=O)Cc1ccc(C)c(C#N)c1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,HKTCSRZSVJITGV-UHFFFAOYSA-N
-rxn:4:186196:222514,CONS(=O)(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)ccc1OC,OBMVVJVVOXZIQJ-UHFFFAOYSA-N
-rxn:4:186295:222393,CON(C)C(=O)c1ccc(C(F)(F)F)c(-c2cccc(C(=O)N[C@H]3CC[C@H](O)CC3)c2)c1,HHHPGODRAWJBNH-IYARVYRRSA-N
-rxn:4:186342:223559,COc1cc(C(=O)N(C)OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,LPYKPWUMIABCDO-UHFFFAOYSA-N
-rxn:4:186747:223904,COC1CN(C(=O)c2c(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cccc2C(F)(F)F)C1,OSVGOPUYQPDFND-UHFFFAOYSA-N
-rxn:4:186773:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(OCCN4CCCC4)cc3F)cc2C1,XWPIWOXVAFAASE-UHFFFAOYSA-N
-rxn:4:186778:224127,CCN1CCN(C(C)c2ccc(-c3cccc(C4(C#N)CC(OC)(OC)C4)c3)cc2)CC1,HXJBUYBWVNAONJ-UHFFFAOYSA-N
-rxn:4:186873:224399,Fc1cc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OCCN1CCOCC1,SPZANKPNQRLHNR-UHFFFAOYSA-N
-rxn:4:186910:225383,CC(C)(C)S(=O)/N=C/c1cc(C(F)(F)F)ccc1-c1c(C(F)(F)F)cccc1C(F)(F)F,HLPHFHRHIWIAGR-WXMAUWIXSA-N
-rxn:4:187026:222423,COc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC(=O)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YBJPYIFEBXIAPC-UHFFFAOYSA-N
-rxn:4:187123:223840,CCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)ccc1S(=O)(=O)N1CCOCC1,DPDMUGKHCCFDOR-UHFFFAOYSA-N
-rxn:4:187123:225044,CCOc1cc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)ccc1S(=O)(=O)N1CCOCC1,SHBZPEUHAZMNAB-UHFFFAOYSA-N
-rxn:4:187142:223809,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)SC1=S,UDIPPIAQPVDTDI-UHFFFAOYSA-N
-rxn:4:187144:224761,O=C(Cc1ccc(Cl)c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c1)N1CCCC(C(F)(F)F)C1,XBHOKJSAHNNBDS-UHFFFAOYSA-N
-rxn:4:187185:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CCC(C)(C(=O)OC)C4)cc3)c(F)c2)CC1,ASZLZMGCHFKVLT-UHFFFAOYSA-N
-rxn:4:187185:224458,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc(C(C)N4CCC(C)CC4)cc3)cc2)C1,XRDUAOAJANBFII-UHFFFAOYSA-N
-rxn:4:187254:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(CCN4CCCC(C(F)(F)F)C4)ccc3F)cn2)CC1,CRKRGPQPFWFHHF-UHFFFAOYSA-N
-rxn:4:187303:224649,COC1CCN(CCc2cc(F)ccc2-c2cc(F)ccc2OCC2CCCCO2)CC1,OBFOFIRPRWILLJ-UHFFFAOYSA-N
-rxn:4:187307:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc([N+](=O)[O-])c(C)cc1OCC1CCCCC1,YFKNSNFLTXNSQK-UHFFFAOYSA-N
-rxn:4:187323:223660,CC1CCN(Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2OC(F)(F)F)CC1,DZJLMLWVZQGVGE-UHFFFAOYSA-N
-rxn:4:187355:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)CCN2CCCCCC2)cc1,AFVKAMGNNVYHOX-UHFFFAOYSA-N
-rxn:4:187373:223589,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C,HAWUKSTVLDPRDP-UHFFFAOYSA-N
-rxn:4:187381:225202,CC1CCCCN1C(=O)CS(=O)(=O)c1cccc(-c2cc(C3CCC3)cc(C(F)(F)F)c2)c1,FUVNFQRODFERQH-UHFFFAOYSA-N
-rxn:4:187427:224593,COC(=O)c1cc(-c2ccc(F)c(CN3CCC(C)CC3)c2)ccc1CN1CCCC(C)C1,SLRKPTNARYHKGF-UHFFFAOYSA-N
-rxn:4:187435:224968,COC(=O)C1CCN(Cc2cc(C)cc(-c3cc(C)ccc3OCC3CCCO3)c2)CC1,OLORULRUBZQYIJ-UHFFFAOYSA-N
-rxn:4:187474:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c3ccccc23)CC1,MSDVALGHCUGNJN-UHFFFAOYSA-N
-rxn:4:187495:223772,COc1ccc2cc(-c3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3)n(C(=O)OC(C)(C)C)c2c1,RQODBYQCLWFGCQ-UHFFFAOYSA-N
-rxn:4:187495:224656,COc1ccc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1OC1CCCC1,KZSQPYJHWRTBOL-UHFFFAOYSA-N
-rxn:4:187507:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2F)cc1,APKOJNCRQFOUPV-UHFFFAOYSA-N
-rxn:4:187543:224974,COc1cc(-c2ccccc2CN2CCN(C)CC2)cc(OC)c1CN1CCCC(C)C1,ARTIDPWEGRZQSE-UHFFFAOYSA-N
-rxn:4:187543:225201,COc1cc(-c2ccc(OC3CCCC3)c(F)c2F)cc(OC)c1CN1CCCC(C)C1,VCXJUSDQXHZZCK-UHFFFAOYSA-N
-rxn:4:187555:226535,COC(=O)c1cc(OC)cc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCS3)c1,DIULVUMUTBNFBL-UHFFFAOYSA-N
-rxn:4:187557:223078,CCNS(=O)(=O)c1ccc(-c2ccc([C@H]3CCCC(=O)N3C(=O)OC(C)(C)C)cc2)c(C)c1,KDUOEXKSMQLQBQ-JOCHJYFZSA-N
-rxn:4:187587:222795,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(NC(=O)N4CCOCC4)cc3)cc2Cl)CC1,CRFDBSQOBUUWLE-UHFFFAOYSA-N
-rxn:4:187597:223076,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,GLNMANNCESFOFZ-UHFFFAOYSA-N
-rxn:4:187616:223658,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,ZWIBLPVWIAGKFF-UHFFFAOYSA-N
-rxn:4:187628:225000,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(CN2CCCCC2)c(F)c1,IFYDNJSCLSCZST-UHFFFAOYSA-N
-rxn:4:187641:222851,CCc1cc(-c2ccc(S(=O)(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)cc(C2CCNCC2)n1,KUTCNWNOSXDEHG-UHFFFAOYSA-N
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-rxn:4:187685:222398,Cc1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2)ccc1NC(=O)NC1CC1,VPKQXBWXXIOKHZ-UHFFFAOYSA-N
-rxn:4:187689:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)c(F)c1,CWMNHYYXUAJDQB-UHFFFAOYSA-N
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-rxn:4:187847:223078,CCNS(=O)(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)c(C)c1,HDVDQAHANWJUNS-UHFFFAOYSA-N
-rxn:4:187888:223670,CN(C)C(=O)Oc1ccc2c(=O)c(-c3ccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3)coc2c1,OLCWQNKEOHUICH-UHFFFAOYSA-N
-rxn:4:187891:223866,CN(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc1)C2=O,PWQDIXBYPUOCIG-UHFFFAOYSA-N
-rxn:4:187916:226187,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cccc(C2CCOCC2)c1,KVLZEAVBHNBVMT-UHFFFAOYSA-N
-rxn:4:187957:226844,O=C1C(=Cc2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)Oc2cc(OC(=O)N3CCOCC3)ccc21,SOWSYZVGYDOHTD-UHFFFAOYSA-N
-rxn:4:187961:223939,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc1)CC(C)(C)CC2=O,MBJNWTIMZUTFJJ-UHFFFAOYSA-N
-rxn:4:187962:224459,COc1ccc(CN2C(=O)c3c(F)cc(-c4ccc(N5CCCC5)c(C(C)(C)C)c4)cc3C2(C)C)c(OC)c1,DXGZUJUGIUFSRT-UHFFFAOYSA-N
-rxn:4:187968:222539,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)ccc21,HGFVPTFYCDVRPX-UHFFFAOYSA-N
-rxn:4:188054:223482,CCOC(=O)c1scnc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,XKMSBFAXWMNPAZ-UHFFFAOYSA-N
-rxn:4:188591:223559,COC(=O)c1nccc(OC)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,JDZWUTUJJFMPAO-UHFFFAOYSA-N
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-rxn:4:188863:223559,CON=Cc1c(OC)cccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,NRFQDPJSTINZFB-UHFFFAOYSA-N
-rxn:4:189543:223812,COC1CN(Cc2cc(F)cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c2)C1,GRUWIDVRIXAGPB-UHFFFAOYSA-N
-rxn:4:189679:223993,Cc1cc(-c2ccc(CC(=O)N3CCCC3)c(F)c2)ccc1S(=O)(=O)N1CCN(C)CC1,HBNNIQLFUFVIGG-UHFFFAOYSA-N
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-rxn:4:189843:222612,O=S(=O)(c1ccc(F)c(-c2ccc(F)cc2CCN2CCC(F)(F)C2)c1)N1CCC(O)CC1,ZCOQOEHNSRKERU-UHFFFAOYSA-N
-rxn:4:189864:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2cc(N3CCCCC3=O)ccc2OC(F)(F)F)c1,ITPURHWIBQDLTR-UHFFFAOYSA-N
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-rxn:4:189997:223602,Cc1ccc(/C=N/S(=O)C(C)(C)C)c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c1,TWNHYEIXFURWAV-STBIYBPSSA-N
-rxn:4:190058:224665,CN1CCN(Cc2cc(F)ccc2-c2cc(F)ccc2CC(=O)N2CCC(F)(F)CC2)CC1,BHAMOQQGVWHXFZ-UHFFFAOYSA-N
-rxn:4:190159:225331,CCOc1cc(OC(F)(F)F)cc(-c2cc(S(C)(=O)=O)ccc2CN2CCC(F)(F)C2)c1,FVJQHVSVQOEQNX-UHFFFAOYSA-N
-rxn:4:190168:225992,COC(=O)c1cc(F)c(N2CCC(F)(F)CC2)cc1-c1cn(CC(C)C)nc1C(F)(F)F,CXGLTYSHXMUFRM-UHFFFAOYSA-N
-rxn:4:190221:223652,COc1cc(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)ccc1CN1CCC(F)(F)CC1,WBKYSOQZSHVTNP-UHFFFAOYSA-N
-rxn:4:190228:222514,COc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,VLYNSQOCKLXIHR-UHFFFAOYSA-N
-rxn:4:190360:223814,COCc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)ccc1N1CCCCC1C,IWPMGXMLUSFCSK-UHFFFAOYSA-N
-rxn:4:190361:223992,CCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(N2CCC(OC)CC2)c1,GKEQNICYKKFVBD-UHFFFAOYSA-N
-rxn:4:190375:222942,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)cc1S(=O)(=O)N1CCCC(C)C1,QEQIQRNAKXCUHT-UHFFFAOYSA-N
-rxn:4:190377:225010,COc1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,BPSRKKIUPYKEOP-UHFFFAOYSA-N
-rxn:4:190391:223578,COc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cnc(N2CCCCC2)nc1OCc1ccccc1,JNDWQRRWQUOFCQ-UHFFFAOYSA-N
-rxn:4:190394:223093,CC(C)C(=O)C1CCCN(c2cc(-c3cncc(NS(=O)(=O)C(C)C)c3)ccc2F)C1=O,DOBBIPZOBASYRO-UHFFFAOYSA-N
-rxn:4:190395:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc(F)c2N2CCCC(C(=O)C(C)C)C2=O)cc1,GPBZPKJOFADYAW-UHFFFAOYSA-N
-rxn:4:190434:223811,O=C(c1cccc(-c2ccccc2-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1)N1CCCCC1,HXHRINSRTIVHSZ-UHFFFAOYSA-N
-rxn:4:190463:225729,CCCCOc1ccc(F)c(-c2cc(C)c(S(=O)(=O)N3CC(C)OC(C)C3)cc2OC)c1F,XBVMPGDEXKAASI-UHFFFAOYSA-N
-rxn:4:190487:225167,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1cc(F)cc(C(=O)N2CCCC2)c1,IEVMUMGNVBGAKA-UHFFFAOYSA-N
-rxn:4:190678:224411,CCOC(=O)C1C=Nc2cc(-c3ccc(S(=O)(=O)N(C)C)cc3C(F)(F)F)ccc2C1=O,WDNZWLXGCKSKQQ-UHFFFAOYSA-N
-rxn:4:190748:223884,CCOC(=O)C1(C)CCc2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cnc21,RMSINQFQAHJZEB-UHFFFAOYSA-N
-rxn:4:190869:222751,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)cc1NC(=O)OC(C)(C)C,VEUIAHBXTKOTDH-UHFFFAOYSA-N
-rxn:4:190870:222849,CC(C)(C)OC(=O)N1C(=O)COc2cc(-c3ccc(C4CCNCC4)c(C#N)c3)ccc21,LMRYJASGCMWVJY-UHFFFAOYSA-N
-rxn:4:190943:223652,COC(=O)C1=CN(c2ccc(-c3cc4c(Cl)ccc(OC)c4n3C(=O)OC(C)(C)C)cc2)c2ccccc2S1(=O)=O,IGTTUDUTXRRSDC-UHFFFAOYSA-N
-rxn:4:190963:224017,CC(C)(C)OC(=O)N1CCc2c(cc(F)cc2-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)C1,FSCZZZCYBRPKFI-UHFFFAOYSA-N
-rxn:4:190968:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1cc2c(cc1F)CN(C(=O)OC(C)(C)C)CC2,YIIYUYNDXBQBSR-UHFFFAOYSA-N
-rxn:4:190972:225465,CN1CCC(c2cccc(-c3ccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)o3)c2)CC1,GZIVMVIZRBCJPV-UHFFFAOYSA-N
-rxn:4:191039:222950,CONS(=O)(=O)c1cc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)ccc1OC,VDKULTDMQVPCPT-UHFFFAOYSA-N
-rxn:4:191039:223481,CC(C)(C)OC(=O)N1CC(C)(C)c2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)ccc21,DBDMDOJNWBCENF-UHFFFAOYSA-N
-rxn:4:191042:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)c1,PTYBPACUVQGTPA-UHFFFAOYSA-N
-rxn:4:191057:223035,CC(C)(C)OC(=O)N1Cc2cc(-c3cccnc3NC(=O)C(C)(C)C)ccc2C2(CC2)C1,CGHKYJOFXVGFER-UHFFFAOYSA-N
-rxn:4:191060:224496,CCN1CCN(Cc2cccc(-c3ccc4oc(=O)c(C(=O)N(C)C5CCCCC5)cc4c3)c2)CC1,XYIJNOBTDCEUHJ-UHFFFAOYSA-N
-rxn:4:191062:223201,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccccc1C1CCNC1,KJKAMGGJHQAXPA-UHFFFAOYSA-N
-rxn:4:191062:223216,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)CCC(=O)N2,JIHLMIQAYGFUKU-UHFFFAOYSA-N
-rxn:4:191062:225514,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc2c1OCC1(CC1)CO2,UTEUTMLFAFLZTL-UHFFFAOYSA-N
-rxn:4:191062:227613,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnn(C2CCOCC2)c1,CYMCSWFVFWJICJ-UHFFFAOYSA-N
-rxn:4:191090:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1,IIKZGJSLYQOEHQ-UHFFFAOYSA-N
-rxn:4:191103:226180,Cc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CCCC2)n1,NAVUFCYIBCMLKT-UHFFFAOYSA-N
-rxn:4:191103:227565,COc1cc(Cl)cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1OC,YNYMAJYWIDGTQZ-UHFFFAOYSA-N
-rxn:4:191109:225878,COc1ccc(-c2cc(Cl)cc(N3CCOCC3)c2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,ROKRDEIHUCMYLK-UHFFFAOYSA-N
-rxn:4:191115:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4c(c3)COC3(CCN(C(=O)OC(C)(C)C)CC3)O4)c2)CC1,NCLZGAZTWSOWEA-UHFFFAOYSA-N
-rxn:4:191115:224290,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc1O2,WDRMCRZEPIVWTN-UHFFFAOYSA-N
-rxn:4:191115:224625,CC(C)Oc1cc(-c2ccc3c(c2)COC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc(Cl)c1OC(C)C,SFZAEDXTEGQVQY-UHFFFAOYSA-N
-rxn:4:191117:222923,Cc1ccc(-c2cccc3c2C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1S(=O)(=O)NC1CC1,BVIQNJQKOZUHCW-UHFFFAOYSA-N
-rxn:4:191117:226127,CCOc1ccc(C(C)C)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,FICCYAMBKMJRKE-UHFFFAOYSA-N
-rxn:4:191117:227259,COc1ccc(CSC)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,POYPDLJBUORWRG-UHFFFAOYSA-N
-rxn:4:191123:227118,Cc1c(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)cc1C1CC1,STYOUUSRCUTUFY-UHFFFAOYSA-N
-rxn:4:191123:227567,COc1cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1OC,ATHPPRUDLOMELC-UHFFFAOYSA-N
-rxn:4:191124:226427,CC1CCN(c2csc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,CEQITPPSDUZUNH-UHFFFAOYSA-N
-rxn:4:191124:227060,Cc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1OC(C)C,OILGFMFQABXGGV-UHFFFAOYSA-N
-rxn:4:191125:226105,CC(C)(C)OCc1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,QFUQDGSEXYTJPW-UHFFFAOYSA-N
-rxn:4:191125:226261,CCOc1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1OCC,PVETYWGNCRNYHY-UHFFFAOYSA-N
-rxn:4:191125:226829,Cc1cc(C(F)(F)F)cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1Cl,UHWGEPJJMYPXBZ-UHFFFAOYSA-N
-rxn:4:191134:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(N3C=C(C(=O)c4ccc(C)cc4C)S(=O)(=O)c4ccc(F)cc43)cc2)c1,DEYZEVRDTSJSRR-UHFFFAOYSA-N
-rxn:4:191172:225827,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccnc(N6CCN(C)CC6)c5)cc4)cc1c32,XTBXMLYLBJOPNO-UHFFFAOYSA-N
-rxn:4:191179:223847,CCCCCC1CCC(c2ccc(-c3cccc(C4c5c(oc6ccccc6c5=O)C(=O)N4CC4CCCO4)c3)cc2)CC1,CHHJXTSLBPHZSQ-UHFFFAOYSA-N
-rxn:4:192192:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C3CC3)cc2[N+](=O)[O-])CC1,ROHMIUQQPOWVMC-UHFFFAOYSA-N
-rxn:4:192217:223541,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc(S(N)(=O)=O)c1,BWRJYXGLUIFSLX-UHFFFAOYSA-N
-rxn:4:192772:222439,CSC1=NC(=Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)C(=O)S1,JZIHFTPHLGRBGP-UHFFFAOYSA-N
-rxn:4:192775:224409,CCN1C(=O)C(=Cc2ccc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)o2)SC1=S,FDRDUCJADINPKI-UHFFFAOYSA-N
-rxn:4:193019:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(OC4CCOCC4)nc3)cc2)C1,UOALOSMYOYSZEI-UHFFFAOYSA-N
-rxn:4:193500:222624,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc(C2CCNCC2)n1,PFGCMONTAVFQBB-UHFFFAOYSA-N
-rxn:4:193515:224317,Cc1cc(C(=O)N2CCC(F)(F)C2)c(F)c(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)c1,WGLWXQIVFXIWCO-UHFFFAOYSA-N
-rxn:4:193559:222610,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1,OGMAJXHXRGJEHO-UHFFFAOYSA-N
-rxn:4:193636:225747,Cc1ccc(-c2cc(N3CCCC(F)(F)C3)ccc2C(F)(F)F)n1C(=O)OC(C)(C)C,QGOVAAQOTUCLLB-UHFFFAOYSA-N
-rxn:4:193641:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3N3CCC(F)(F)CC3)s2)CC1,VKCOFVJIFGXJCU-UHFFFAOYSA-N
-rxn:4:193728:223813,Cc1cc(C(=O)N2CCCCC2)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1,PFRIKPSLYJQKER-UHFFFAOYSA-N
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-rxn:4:206986:224404,Cc1cc([N+](=O)[O-])c(N2CCC(F)(F)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,HJURIMZVKDAMTM-UHFFFAOYSA-N
-rxn:4:207039:222466,CC(c1cccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1)N1CCN(C)CC1,HQLRCEQKMUXUSF-UHFFFAOYSA-N
-rxn:4:207282:223598,COC(=O)c1nn2c(c1-c1ccc(OCCN3CCC4(CC3)OCCO4)c(F)c1)CCC2,SZIVRHSCCIBSMJ-UHFFFAOYSA-N
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-rxn:4:212526:226448,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cnc(Cl)c(C3CCCC3)c2)CC1,ZPNFBNCFCQGLSF-UHFFFAOYSA-N
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-rxn:4:212973:225527,CCN(CC)C(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)cc1,PKAKQPXBCGXOLN-UHFFFAOYSA-N
-rxn:4:212978:223769,COc1ccc(F)cc1S(=O)(=O)N1CC(Cn2cc(-c3cc4cccc(C#N)c4n3C(=O)OC(C)(C)C)cn2)C1,SVRVBOBHBSBIGF-UHFFFAOYSA-N
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-rxn:4:213053:228338,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cnc(OC4CCC4)s3)cn2)C1,ZREIFVZFXUIBCA-UHFFFAOYSA-N
-rxn:4:213079:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1,SNVOTHVRSMUKTL-UHFFFAOYSA-N
-rxn:4:213080:225898,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,DRWVABNUCSDGAS-UHFFFAOYSA-N
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-rxn:4:213143:223184,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCNCC4)nc3)ccc2[N+](=O)[O-])CC1,ADRHRZIPJSZNTH-UHFFFAOYSA-N
-rxn:4:213147:225357,CCOc1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c(C(F)(F)F)c1,SVIQQHQHVOVKJE-UHFFFAOYSA-N
-rxn:4:213175:224764,Cc1cc(OCC2CCN(C(=O)c3cncc(-c4ccc(C(=O)N5CCOCC5)cc4F)c3)CC2)ccn1,NBTMBQYAMXFTMB-UHFFFAOYSA-N
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-rxn:4:213180:224061,CCCC1CCC(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)oc5C)CC4)nc3)c(F)c2)CC1,UAEFBGONSUIJGT-UHFFFAOYSA-N
-rxn:4:213183:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2noc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1,UXBZEFQFJOMDCE-NRFANRHFSA-N
-rxn:4:213188:222876,CC(C)(C)NC(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1F,PPQJOBJNHNEUKM-UHFFFAOYSA-N
-rxn:4:213188:227938,CCOc1c(C)cccc1-c1ccccc1C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,BCIIPNMKHZZEDR-UHFFFAOYSA-N
-rxn:4:213192:228294,CCCOc1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,FOBSBPHYEZJNFA-UHFFFAOYSA-N
-rxn:4:213195:222546,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,BTSISENOCBPDSN-UHFFFAOYSA-N
-rxn:4:213202:222948,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCC(O)CC4)nc3Cl)CC2)nn1,CYSBODNRXLOARU-UHFFFAOYSA-N
-rxn:4:213215:227346,CCCc1cc(F)c(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c(F)c1,SXJOJNVMHIYCTH-UHFFFAOYSA-N
-rxn:4:213218:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)c2ccccc12,ZBFACAGPBAOODY-NRFANRHFSA-N
-rxn:4:213220:225016,CC1CN(c2ccc(-c3cc(-c4cscn4)cc(C4CC4)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,ICJLZORUSGQVFD-UHFFFAOYSA-N
-rxn:4:213236:224727,COC(=O)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(OC)c(C)c4)C3)nc2)cc(OC(C)(C)C)n1,TYHZRPICULRPDW-UHFFFAOYSA-N
-rxn:4:213247:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(C(=O)C5(c6ccccc6)CCOCC5)C4)c3)cc2F)CC1,RVDUYDYIZSOQDI-UHFFFAOYSA-N
-rxn:4:213268:223065,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,YXWGQPOAEAKLIO-SIBVEZHUSA-N
-rxn:4:213269:224016,COc1ccc(-c2cn(S(=O)(=O)N(C)C)nc2-c2ccccn2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,MLZJWBLSLWOTST-UHFFFAOYSA-N
-rxn:4:213281:227161,Cc1c2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc2nn1C,VPGCQKLSVUKKFZ-UHFFFAOYSA-N
-rxn:4:213290:223725,CCCCCc1ccc(-c2ccc(-c3cnc(OC4CCCN(C(=O)C5(c6ccccc6)CCOCC5)C4)nc3)c(F)c2)cc1,PRKILRKDORUABT-UHFFFAOYSA-N
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-rxn:4:213374:222523,CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)ccc21,DJLOGCOFGZTCGK-UHFFFAOYSA-N
-rxn:4:213382:224752,CCN1CCN(c2nc3ccc(OC(=O)c4ccccc4-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cc3s2)CC1,DONCSKIIZYYJEA-UHFFFAOYSA-N
-rxn:4:213388:222469,COc1ccc(CNC(=O)c2ccc(-c3ccnc4c3ccn4CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,PGNOOODBQRMLRJ-UHFFFAOYSA-N
-rxn:4:213396:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc3c(ccn3CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2)c1,OLCUEONALNLIGR-UHFFFAOYSA-N
-rxn:4:213401:224710,CCCCOc1cc(-c2ccc3ccn(CC(=O)N4CCN(c5ccc(OC)cc5)CC4)c3c2)cc(C(F)(F)F)c1,OCXWYPRCYCQCJR-UHFFFAOYSA-N
-rxn:4:213415:225293,CC(C)Oc1cc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)ccc1C(F)(F)F,QYTIAPZWZLCYSU-UHFFFAOYSA-N
-rxn:4:213421:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CC(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)c(F)cc2C)CC1,CALJHMWSNZWCQE-UHFFFAOYSA-N
-rxn:4:213480:222845,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(C)N5CCNCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,SYGKOVRZSVUUSW-JPQMQXQBSA-N
-rxn:4:213480:222958,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C)c(C5CCNCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UQQASTHKVQFFKD-RDPIHECBSA-N
-rxn:4:213480:223076,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(S(=O)(=O)NC5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZZANKKSVLRYUDF-NESADOAFSA-N
-rxn:4:213480:224319,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RVGNYZZOOWVGCH-XLKWLEGVSA-N
-rxn:4:213480:224687,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(CN5CCC(=O)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HZXSQEDGCIJWQU-RDPIHECBSA-N
-rxn:4:213480:225883,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(C5CCOCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PTVKOHDZKHSILQ-IVMILYEGSA-N
-rxn:4:213481:223004,COC12CC(COC(=O)c3cncc(-c4ccc(C5CCNCC5)c(F)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,KCXRONDTKYIGFC-UHFFFAOYSA-N
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-rxn:4:213777:225382,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cc(C(F)(F)F)ccc1C(F)(F)F,CIKRGTOGLSNSHF-UHFFFAOYSA-N
-rxn:4:213798:222634,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KAUGVFURVZQNKK-UHFFFAOYSA-N
-rxn:4:213805:225898,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,UNECGDJDVMLYPM-UHFFFAOYSA-N
-rxn:4:213809:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3C(=O)N3CCC(Oc4cnccn4)CC3)ccc2F)CC1,ADCUTCXHBZUCIH-UHFFFAOYSA-N
-rxn:4:213833:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc12,UOIWMGDPCVXXOK-UHFFFAOYSA-N
-rxn:4:213871:224682,O=C(c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc1Cl)N1CCCCC1,DCXVDCCEVXXBCN-UHFFFAOYSA-N
-rxn:4:213889:225990,CCCCn1nc(C(F)(F)F)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ncn1,SBPBGKYFIATDFO-UHFFFAOYSA-N
-rxn:4:213906:222524,O=S(=O)(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1)N1CCC(Cn2cccn2)CC1,QNQSQMDETHNXTN-UHFFFAOYSA-N
-rxn:4:213948:224664,CN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(CC5CCCC5)CC4)nc3)c2)CC1,KVAWFPBHXVMXQE-UHFFFAOYSA-N
-rxn:4:213955:226716,CC(C)(C)OC(=O)n1ccc(-c2cnc(OC3CCN(C(=O)C4CC=CCC4)CC3)nc2)n1,XOUSLILQHNACSH-UHFFFAOYSA-N
-rxn:4:213965:224325,Cc1cnc(OC2CCN(Cc3cc(F)ccc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)CC2)nc1,GIDXBDSMODYKIL-UHFFFAOYSA-N
-rxn:4:213971:227480,CCCOc1nccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1Cl,OWWKVQLDLMHQPD-UHFFFAOYSA-N
-rxn:4:213972:228089,CCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,YDAQJEHVACHGBS-UHFFFAOYSA-N
-rxn:4:213982:223831,COc1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)cc1S(=O)(=O)N1CCC(C)CC1,IEPWRHNSDUJMLI-UHFFFAOYSA-N
-rxn:4:213991:223712,COc1ccc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,YVQPOZVYUCQNIX-UHFFFAOYSA-N
-rxn:4:213991:226126,COCc1cc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)ccc1C1CC1,LTPHIYZTEGWFBR-UHFFFAOYSA-N
-rxn:4:213992:226092,CCCCOc1ccc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)c(C)c1,MWXYNHNVVGEMSW-UHFFFAOYSA-N
-rxn:4:213994:224683,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2cc(F)cc(C(=O)N3CCCCC3)c2)c1,YIIMEMDWJFPLPS-LJQANCHMSA-N
-rxn:4:213999:223181,CCNS(=O)(=O)c1cccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)c1,NOXRIEDTKYRKGA-UHFFFAOYSA-N
-rxn:4:214026:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,VUIBCDXGWXYNFH-UHFFFAOYSA-N
-rxn:4:214033:227705,COc1cc(C(F)F)ncc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,VEMOACAVXGXGOU-WOJBJXKFSA-N
-rxn:4:214037:223752,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4ccccc4CN4C(=O)c5ccccc5C4=O)cc3)C2)CC1,BDJXJFYOZZCMFG-UHFFFAOYSA-N
-rxn:4:214044:222698,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5cccc(F)c5)no4)C3)cc2)cc1Cl)N1CCC(O)CC1,XMFXJWDZFNPNKK-UHFFFAOYSA-N
-rxn:4:214054:227572,COC(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1Cl,MTIFIDPIXUFIFX-UHFFFAOYSA-N
-rxn:4:214071:223077,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,BWNAAVGLBDHQTR-UHFFFAOYSA-N
-rxn:4:214071:223288,CNS(=O)(=O)c1cccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)c1,MYXUCCFNMWECMY-UHFFFAOYSA-N
-rxn:4:214079:225056,CC1CCCN(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)c(F)c2)C1,KQKUOJIDHKZSFY-UHFFFAOYSA-N
-rxn:4:214135:222849,CCN(CC)S(=O)(=O)c1c(-c2ccc(C3CCNCC3)c(C#N)c2)nc2n1CCOC2,XNSAILPKNHZIGH-UHFFFAOYSA-N
-rxn:4:214144:224076,CC(C)(C)OC(=O)N1CCc2c(ncc(C#N)c2-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)C1,OCEPWDQVAPLBNA-UHFFFAOYSA-N
-rxn:4:214145:225975,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccnc(N4CCOCC4)c3Cl)c2C1,UULPWWSJRQPJJJ-UHFFFAOYSA-N
-rxn:4:214168:223812,O=C(c1ccc2ncsc2c1)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,QZEJQVHLNQZDCJ-UHFFFAOYSA-N
-rxn:4:214227:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnccc1OC1CCN(S(=O)(=O)c2cccc3cccnc23)C1,MGBZLHJDIKZBFR-UHFFFAOYSA-N
-rxn:4:214234:222845,CC(c1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1)N1CCNCC1,MCOAZORMLLQVFS-UHFFFAOYSA-N
-rxn:4:214241:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccnc3OC3CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)cn2)CC1,JYZNWBKUDBJZRK-UHFFFAOYSA-N
-rxn:4:214247:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc3nc(N4CCN(C(=O)Cc5ccc(F)cc5)CC4)sc3c2)CC1,GCTQDYZQGALUSD-UHFFFAOYSA-N
-rxn:4:214254:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc4c(cnn4[Si](C(C)C)(C(C)C)C(C)C)c3)c3ccccc23)CC1,PMKKPHDWNSPNBD-UHFFFAOYSA-N
-rxn:4:214274:222758,Cc1cc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)OC(C)(C)C,ICHMMINWPKWJQR-UHFFFAOYSA-N
-rxn:4:214278:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4ccn(CC(=O)N5CCN(c6ccccc6)CC5)c4c3)cc2)CC1,WKZBCMYJBSSTPW-UHFFFAOYSA-N
-rxn:4:214403:223504,COC(=O)Cn1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,TVSBJKHTWQORKE-UHFFFAOYSA-N
-rxn:4:214404:223504,COC(=O)Cn1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,XLMFWXULGBGKFY-UHFFFAOYSA-N
-rxn:4:214405:223504,CCOC(=O)c1nn[nH]c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,ANJXLXLXEJBELE-UHFFFAOYSA-N
-rxn:4:214406:223504,CCOC(=O)c1n[nH]c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,DBZAWGHLIDRVDU-UHFFFAOYSA-N
-rxn:4:214418:223504,CCOC(=O)c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)nn1,HAHKZWXXDVBJMQ-UHFFFAOYSA-N
-rxn:4:214477:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc1,YHTBDSXHQSAFEH-LBPRGKRZSA-N
-rxn:4:214609:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(C(=O)N4CCC(C#N)CC4)c3)cn2)CC1,PNVJXRAUGKMJQU-UHFFFAOYSA-N
-rxn:4:214618:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CC2CCN(C(C)=O)C2)cn1,CVWGALKYOOFPQT-UHFFFAOYSA-N
-rxn:4:214630:223816,C[Si](C)(C)CCOCn1c(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cc2c(Cl)ccnc21,BDFHPJDBQXTHII-UHFFFAOYSA-N
-rxn:4:214638:223917,CN(C(=O)c1cc(F)cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])c2)c1)C1CCCCC1,JBYIBOZMNKGPTB-UHFFFAOYSA-N
-rxn:4:214715:223646,CCN1CCN(c2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc(F)c2[N+](=O)[O-])CC1,YZYBEPQSERRBKY-UHFFFAOYSA-N
-rxn:4:214744:224195,CCN1CCN(Cc2cc(-c3ccc(N4CCC(N(C)C)CC4)cc3C#N)ccc2Cl)CC1,AXFSWSSZLQZLDL-UHFFFAOYSA-N
-rxn:4:214766:222622,CCC(C)c1cc(-c2ccc(N3CCC(N(C)C)CC3)c([N+](=O)[O-])c2)cc(C2CCCNC2)n1,MXEFYBMZUJATFU-UHFFFAOYSA-N
-rxn:4:214775:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(OC2CCN(C3CCSC3)CC2)nc1,VLCKWCXTHVZTAF-UHFFFAOYSA-N
-rxn:4:214804:225518,CCCCCOc1ncc(C)cc1-c1cnccc1N1CCOC(C(=O)N2CCCC2)C1,OQEAIRDFNMHWEK-UHFFFAOYSA-N
-rxn:4:214819:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,OLRVTIXEKLYRGS-UHFFFAOYSA-N
-rxn:4:214838:226473,CN(C)CCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,OSZCLKBQXGEPDR-UHFFFAOYSA-N
-rxn:4:214854:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C5CCOCC5)CC4)nc3)c(F)c2)CC1,RLTSPCXUHZBYHW-HZCBDIJESA-N
-rxn:4:214855:225572,COC(=O)c1ccc(C2CC2)cc1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,NQPYGVUJTBRQCE-UHFFFAOYSA-N
-rxn:4:214871:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,GDHMLUUZDHNXHL-UHFFFAOYSA-N
-rxn:4:214871:227367,CCOc1cc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1C,HFQPJCHSMDLDJU-UHFFFAOYSA-N
-rxn:4:214872:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,YEGOVGILBCRHSP-UHFFFAOYSA-N
-rxn:4:214874:223974,CC1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c(C(F)(F)F)c2)CC1,NEGXPMLDOJFTAE-UHFFFAOYSA-N
-rxn:4:214880:226505,Cc1cc(-c2cnc(OCC(C)C)c(Cl)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,MPFYICMTXNAIBB-UHFFFAOYSA-N
-rxn:4:214886:228301,CCOC(=O)c1sccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,FMLWENVFWOUZBT-UHFFFAOYSA-N
-rxn:4:215027:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)c(F)ncc21,ZNYJPBFSGXBDMT-UHFFFAOYSA-N
-rxn:4:215064:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2nc3c([nH]2)CN(C(=O)OC(C)(C)C)CC3)c1,YTIQDFVGWJLSQW-UHFFFAOYSA-N
-rxn:4:215201:227260,COCc1cc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,DBALCRMGTLZPPY-UHFFFAOYSA-N
-rxn:4:215214:228401,COc1c(F)ccc(F)c1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,QGGGXEKZNXTGPR-UHFFFAOYSA-N
-rxn:4:215239:223187,CONS(=O)(=O)c1cccc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)c1,LVCNOWLKRZEBCI-UHFFFAOYSA-N
-rxn:4:215295:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1,NUAMVBFTGMKKLY-UHFFFAOYSA-N
-rxn:4:215301:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c1,BTOWYZVOZIWUMV-UHFFFAOYSA-N
-rxn:4:215391:223696,NS(=O)(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],ZVWCJQGIYWRODB-UHFFFAOYSA-N
-rxn:4:215635:223490,Cc1ccc(-c2csc(-c3cnc(C4CC4)nc3)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RRPZGKOVMPLULO-UHFFFAOYSA-N
-rxn:4:215749:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ncc(-c4cnc(C5CCC5)nc4)s3)cc2)CC1,HIESFIBHDAXZSX-UHFFFAOYSA-N
-rxn:4:215784:223712,COc1ccc(-c2cn(C)nc2CN2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,NBWRQWUFDFMING-UHFFFAOYSA-N
-rxn:4:215870:223505,CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2)CC1,LSDQOPNOLDZNRK-UHFFFAOYSA-N
-rxn:4:215944:222584,CN(C)C1CCN(c2cccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)CC1,XJANTHAGGYPZDR-UHFFFAOYSA-N
-rxn:4:215945:223952,CN1CCN(CCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2Cl)CC1,XLZZNVGEYZWSDU-UHFFFAOYSA-N
-rxn:4:215961:224820,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,ALVWOZICGFGCCV-UHFFFAOYSA-N
-rxn:4:215969:224634,COc1ccc(-c2cc(Cl)cnc2N2CCN(C3CCC3)CC2)cc1CN1CCOCC1,VBLQDBIJWCYQKR-UHFFFAOYSA-N
-rxn:4:216319:225637,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccccc4N4CCN(C)CC4)ccc3S2(=O)=O)n1,ZEMPASCJDXJMKD-UHFFFAOYSA-N
-rxn:4:216319:225825,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(N5CCN(C)CC5)nc4)ccc3S2(=O)=O)n1,HEGIYYXMCFNHOJ-UHFFFAOYSA-N
-rxn:4:217801:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(C4CCCC4)c4ncnc(Cl)c34)cc2[N+](=O)[O-])CC1,UXCHMLMEWKLWJV-UHFFFAOYSA-N
-rxn:4:217865:223570,C=C1CC2CCC(C1)N2c1ncc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cn1,FPTQCVBOGQPIQH-UHFFFAOYSA-N
-rxn:4:218600:223973,CC1CCCN(c2ccc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C(F)(F)F)c2)C1,GKWKCBJNADPGKV-UHFFFAOYSA-N
-rxn:4:218603:225245,O=C(CN1C(=O)CCC1=O)N1CCCC(COc2ncc(-c3cncc(-c4ccc(F)cc4F)c3)cn2)C1,VGGXPOZBEFGJME-UHFFFAOYSA-N
-rxn:4:218604:225171,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCOCC5)c4)cn3)CC2)cn1,JREBYHZLAVHRED-UHFFFAOYSA-N
-rxn:4:218616:224373,COc1ccc(-c2cn(C)nc2CN2CCN(C(=O)OCc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1,UILWXVJMTVLIFD-UHFFFAOYSA-N
-rxn:4:218642:224689,O=C(c1ccc(-c2cncc(C(=O)N3CCC(COc4cc(C5CC5)ncn4)CC3)c2)c(Cl)c1)N1CCCCC1,FQBUJXYNYNGLLF-UHFFFAOYSA-N
-rxn:4:218656:225172,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,GFZHHOIMMYZVLT-UHFFFAOYSA-N
-rxn:4:218699:227464,CCCCSc1ncc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)cn1,CCCYKGLBQFDJIZ-UHFFFAOYSA-N
-rxn:4:218704:225302,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(C(F)(F)F)ncc4C(C)(C)C)cc3)n[nH]2)CC1,CTRUEFPHPAUTGZ-UHFFFAOYSA-N
-rxn:4:218711:226818,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4nccs4)cc3F)CC2)CC1,SPVNYSMGUVNBNI-UHFFFAOYSA-N
-rxn:4:218712:225300,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc(OC5CCOCC5)nc4F)c3C)CC2)c(C)c1,JTBRRFCEEMUGOV-UHFFFAOYSA-N
-rxn:4:218713:228948,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cc(Cl)c(F)cc4F)c3C)CC2)cc1C,KFSFKJZWVDLOTC-UHFFFAOYSA-N
-rxn:4:218822:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc(C(=O)N3CCCC(Oc4nccnc4C#N)C3)o2)c1,DKBBYVNMTFGMAM-UHFFFAOYSA-N
-rxn:4:218824:222735,CN(CC1CN(c2ncc(-c3cccc(C(=O)NC4CCCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,IXSZFQIYFJGPAL-UHFFFAOYSA-N
-rxn:4:218867:223166,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCNCC4)nc3)c2)no1,NTWVBXGBNDEEFL-UHFFFAOYSA-N
-rxn:4:218867:226447,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(C4CCOCC4)c3)c2)no1,FOHFDZKQAIOMAE-UHFFFAOYSA-N
-rxn:4:218868:226324,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3OC3CCCC3)cc2)no1,OLAYXIGVWIQXSC-UHFFFAOYSA-N
-rxn:4:218868:226665,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(C4CCCOC4)nc3)cc2)no1,SXCYHXKZTJAJNT-UHFFFAOYSA-N
-rxn:4:218887:224325,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,NVYUGFZACJEAFT-UHFFFAOYSA-N
-rxn:4:218897:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)cc2F)CC1,JHHUXGUVTVGETN-UHFFFAOYSA-N
-rxn:4:218903:226862,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(OC(F)(F)F)c3F)cc2C#N)CC1,UYDMCIYEIOGLDC-UHFFFAOYSA-N
-rxn:4:218912:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(Cc5cnoc5C)C4)nc3)c(F)c2)CC1,BCFOFEXCWSXSCJ-GLQXSRQHSA-N
-rxn:4:218972:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c(F)c2)CC1,NFLIDNXTZYSHOJ-PECFQXNXSA-N
-rxn:4:218998:224188,CC(C)N(C(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)c(Cl)c1)C(C)C,GRRUTRVDGDRVNK-UHFFFAOYSA-N
-rxn:4:219012:227212,CCCCOc1ncccc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)C2)nc1,JHLDPZOJEIJPNX-UHFFFAOYSA-N
-rxn:4:219028:224731,CC1CN(C(=O)c2cnn(C)c2-c2cccc(S(=O)(=O)OCC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,JTAOWAOIABUQFR-UHFFFAOYSA-N
-rxn:4:219043:224180,CC1CN(Cc2nn(C)cc2-c2ccccc2OCCN2CCN(C)CC2)CCN1C(=O)OC(C)(C)C,SXQIIGKCWYXSGI-UHFFFAOYSA-N
-rxn:4:219051:226973,CN(c1cnc(-c2ccc3c(c2)C(C)(C)CO3)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,VZJSUTCJQDSDIW-UHFFFAOYSA-N
-rxn:4:219092:224188,CCCCCCn1c(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)nc2c1c(=O)n(C)c(=O)n2C,WRKGPLWQIWCSIJ-UHFFFAOYSA-N
-rxn:4:219120:225607,CC(c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)s1)N1CCCCC1,GJAMYAPHZBCLHK-UHFFFAOYSA-N
-rxn:4:219144:224355,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cn2)CC1,CUYAPPKQMJYABV-UHFFFAOYSA-N
-rxn:4:219184:225010,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(F)c(CN5CCCCC5)c4)cc2)OC3)CC1,NUZQFYJOAOSGMI-UHFFFAOYSA-N
-rxn:4:219271:224720,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)c(C2CC2)n1,CIBSKLPURIPDNZ-UHFFFAOYSA-N
-rxn:4:219312:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)c2)CC1,NRUWPTZYTDOTBQ-UHFFFAOYSA-N
-rxn:4:219336:222879,CC(C)(C)C(=O)Nc1cccc(Cl)c1-c1cnn(CC2CN(C(=O)N3CCOCC3)C2)c1,WEESKPHGEKJCCF-UHFFFAOYSA-N
-rxn:4:219369:223534,Cn1c(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,WEQLQXTUBIRASM-HXUWFJFHSA-N
-rxn:4:219381:226728,CSc1ncc(-c2ccc(OCC(F)F)cc2F)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,KHEKXDBYBNTHKC-UHFFFAOYSA-N
-rxn:4:219383:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OCC3CCCN(c4ccncc4Cl)C3)nc2)CC1,GJJZVYXIXLEYLO-UHFFFAOYSA-N
-rxn:4:219384:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2[N+](=O)[O-])CC1,ZIOXJVRVVFUYGI-UHFFFAOYSA-N
-rxn:4:219392:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C(=O)N4CC(n5nc(-c6ccncc6)ccc5=O)C4)o3)cc12,LTIGIFYFFITQIL-UHFFFAOYSA-N
-rxn:4:219407:222916,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,SVOMESIGTLZEIZ-UHFFFAOYSA-N
-rxn:4:219414:222546,N#Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,ZNFVBDSNWPENBW-UHFFFAOYSA-N
-rxn:4:219436:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,AKHAGBCRHNMNNN-UHFFFAOYSA-N
-rxn:4:219451:223646,Cn1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,XWCKNYILDBFRTM-UHFFFAOYSA-N
-rxn:4:219471:226472,CSc1ncc(-c2ccnc(OCCN(C)C)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,OMOBTEIYEHPUPD-UHFFFAOYSA-N
-rxn:4:219475:224325,Cn1nc(C(=O)N2CCC(Oc3ncccc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)CC2)ccc1=O,TWXNQPPKBALODS-UHFFFAOYSA-N
-rxn:4:219477:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,WGXNFAQWVBORPX-UHFFFAOYSA-N
-rxn:4:219491:222584,CC(C)c1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,ADDFVFJSMCORBM-UHFFFAOYSA-N
-rxn:4:219530:223732,Cc1ccc(C(C)C)c(OCc2ccccc2-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c1,QJKPJNAQAXZQPL-UHFFFAOYSA-N
-rxn:4:219535:225226,CC1CCN(c2cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c(F)cn2)CC1,PQGARVJOHWXGRG-UHFFFAOYSA-N
-rxn:4:219538:228845,Cc1cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)c(F)cc1Cl,HQENYBUNYYXUSX-UHFFFAOYSA-N
-rxn:4:219552:226131,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccccc1CN1CCCC1,FWMPWZVSZJPTJK-UHFFFAOYSA-N
-rxn:4:219554:224360,COC(=O)c1ccc(-c2ccc(C3=NN(C(C)=O)C(c4cn(-c5ccccc5)nc4C)C3)cc2)n1C(=O)OC(C)(C)C,SQVAOLRCRMGVGC-UHFFFAOYSA-N
-rxn:4:219619:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc2c(c1)c(C(=O)N(C)OC)nn2C1CCCCO1,PPOGJGVYPGJOKL-UHFFFAOYSA-N
-rxn:4:219654:224759,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc23)CC1,KBFUUKLDYZRIOE-UHFFFAOYSA-N
-rxn:4:219654:225098,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCN5CCCC5)nc4)cc23)CC1,GRHXLEMBUJCLOW-UHFFFAOYSA-N
-rxn:4:219655:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc(CC(=O)N2C3CCC2CC(n2cncn2)C3)cc1,FMSALCNHLLFCNA-UHFFFAOYSA-N
-rxn:4:219675:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cccc(Cn4nc5ccc(S(=O)(=O)N6CCCC6)cn5c4=O)c3)c2F)C1,RLIMFUOOGIMOJQ-UHFFFAOYSA-N
-rxn:4:219678:225654,CC1CCCN(c2ccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)cn2)C1,BQLDBAYDZBCTMK-UHFFFAOYSA-N
-rxn:4:219687:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,UUQOLLGFOSFJAL-UHFFFAOYSA-N
-rxn:4:219698:223753,COc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc2)c(=O)c3=O)cc1,RWPQWLWIUZLZCP-UHFFFAOYSA-N
-rxn:4:219707:224746,CC(=O)N1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,ULIAZOUZUDHUMX-UHFFFAOYSA-N
-rxn:4:219759:225977,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,ZHYHCHPODKDBNX-UHFFFAOYSA-N
-rxn:4:219780:227721,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)cc(OC(F)F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,FREBDZHOSVPDMN-UHFFFAOYSA-N
-rxn:4:219902:223945,CC(C)N1CCN(c2c(-c3ccc(OCCCN4CCOCC4)c(F)c3)cncc2[N+](=O)[O-])CC1,MXQMJSJJPLGZPI-UHFFFAOYSA-N
-rxn:4:219904:222583,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,MFZZOOMNNBIATB-UHFFFAOYSA-N
-rxn:4:219909:223670,Cn1cnc(N2CCC(Oc3ccncc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1=O,KWQYRQISYWRUKY-UHFFFAOYSA-N
-rxn:4:219955:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc2F)CC1,FRCYDRDAJRKWIS-UHFFFAOYSA-N
-rxn:4:220149:225581,O=C(C1CC(=O)N(c2[nH]nc3cc(-c4ccc(CN5CCOCC5)cc4)ccc23)C1)N1CCOCC1,HILGEKCGPVOBNG-UHFFFAOYSA-N
-rxn:4:220149:225784,O=C(C1CC(=O)N(c2[nH]nc3cc(-c4ccc(CN5CCOCC5)nc4)ccc23)C1)N1CCOCC1,WYDUXAJRCDZKFD-UHFFFAOYSA-N
-rxn:4:220162:223060,CSc1ncc(-c2cc(Cl)nc(C3CCNCC3)c2)c(N2CC(N3CC4CCCC4C3)C2)n1,OMYKFKWTEBSMEV-UHFFFAOYSA-N
-rxn:4:220223:223667,CC1CCN(C(=O)c2nnn3c2COC(c2ccc(-c4ccc(OC(F)(F)F)cc4OCc4ccccc4)cc2)C3)CC1,VJLDXYXPIWNHOK-UHFFFAOYSA-N
-rxn:4:220226:225089,CCCCCOc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)c(F)c1F,FNOXIYHKZKJHHA-UHFFFAOYSA-N
-rxn:4:220268:222819,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4-c4ccc(NC(=O)N5CCOCC5)nc4)c4ccccc4N23)c1C,RIRHRTXTUCPFQN-UHFFFAOYSA-N
-rxn:4:220426:224960,COc1ccc(-c2cnc(N3CCOCC3)nc2N2CCOCC2)cc1OC1CCCC1,RBOFYSLUWUFHHT-UHFFFAOYSA-N
-rxn:4:220429:222743,CC(c1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc1)N1CCC(O)CC1,MTVOJODCGDKTQL-UHFFFAOYSA-N
-rxn:4:220430:225223,CC1CCN(c2cc(F)c(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cn2)CC1,BQYUQGPFHACEAB-UHFFFAOYSA-N
-rxn:4:220491:223812,CC(C)(C)C(=O)N1CCn2nc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)nc2C1,AKVIMGIDYMZUAC-UHFFFAOYSA-N
-rxn:4:220935:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,JHCKUSLIUNNQEP-UHFFFAOYSA-N
-rxn:4:221094:224182,Cc1cc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)ccc1OCCN1CCOCC1,ZRNXXVGMJCUNNK-UHFFFAOYSA-N
-rxn:4:221110:229017,Cc1cnc(C)c(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c1,SKCVZJREWMELQJ-UHFFFAOYSA-N
-rxn:4:221116:224325,CCOc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,IYXBYKOFIHXWCK-UHFFFAOYSA-N
-rxn:4:221121:225454,CN1CC=C(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,QAUIGBOWPRMITI-UHFFFAOYSA-N
-rxn:4:221145:222741,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,DERMVGHDIHRGFK-UHFFFAOYSA-N
-rxn:4:221153:222546,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1,PVGPELQWEOINOQ-UHFFFAOYSA-N
-rxn:4:221169:222857,COc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)cc(C2CCNCC2)c1,WOTMENDKOUBRFD-UHFFFAOYSA-N
-rxn:4:221169:224818,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C2)cn1,OHRKTUOSWNJIBP-UHFFFAOYSA-N
-rxn:4:221175:228254,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4C)cn3)C2)C(=O)C1=O,SPFXNHGKFZMUNL-UHFFFAOYSA-N
-rxn:4:221175:228697,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(COC)c4)cn3)C2)C(=O)C1=O,NPTWKMQTCZGBBL-UHFFFAOYSA-N
-rxn:4:221175:228905,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(OC)c(Cl)c4)cn3)C2)C(=O)C1=O,XZWNOBOFCRKFTG-UHFFFAOYSA-N
-rxn:4:221175:228907,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(OC)c4Cl)cn3)C2)C(=O)C1=O,PALGMUUHIPICKL-UHFFFAOYSA-N
-rxn:4:221180:222582,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)CC2)nn1C,RNPHEOXQSXPMMW-UHFFFAOYSA-N
-rxn:4:221205:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c2Cl)CC1,YKXSVDUNHRDHCT-UHFFFAOYSA-N
-rxn:4:221232:223754,CC1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)cc2Cl)CC1,ZROJLNRCLXYALT-UHFFFAOYSA-N
-rxn:4:221369:222584,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)ccc1=O,FWBDKDZOLYMNPY-UHFFFAOYSA-N
-rxn:4:221413:225717,COCCOCc1ccc(F)cc1-c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)o1,MDWSQBVJGUCSGL-UHFFFAOYSA-N
-rxn:4:221424:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,HLTDLZWRKLJVOL-UHFFFAOYSA-N
-rxn:4:221431:226719,CCOC(=O)c1cnc(Cl)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1,JDFZAKFPAZTIRB-UHFFFAOYSA-N
-rxn:4:221434:224975,CCN1CCN(c2ccc(-c3ccccc3C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)CC1,OUQFDHJOWPKCEZ-UHFFFAOYSA-N
-rxn:4:221449:228201,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)nc4)cc3)CC2)n1,RVFRBPQPBCEDBI-UHFFFAOYSA-N
-rxn:4:221456:226104,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(COC(C)(C)C)c4)cc3)CC2)n1,QODVFFVOJMBCDN-UHFFFAOYSA-N
-rxn:4:221491:222546,Fc1cnc(OCC23CCCC2CN(c2ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn2)C3)nc1,RYDQEZKDMQXBSL-UHFFFAOYSA-N
-rxn:4:221515:222459,O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(-c2cncc(C(=O)N3CC4CN(c5cc(C6CC6)ncn5)CC4C3)c2)c1,LMGHXYQLTHVUBQ-UHFFFAOYSA-N
-rxn:4:221622:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCN(c3ncccn3)CC2)c(C(F)(F)F)c1,PRCYKQXUCKNKGP-UHFFFAOYSA-N
-rxn:4:221727:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,CWGVRHFPLWUFNL-UHFFFAOYSA-N
-rxn:4:221912:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(CCn5nccn5)C4)nc3)c2)CC1,UUMGTUYINQYQEG-UHFFFAOYSA-N
-rxn:4:221960:224312,CN1CCN(C(=O)c2cc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C7CC7)no6)nn5)CC4)c3)ccc2F)CC1,WIPGXQFEAWUNAY-UHFFFAOYSA-N
-rxn:4:221965:223951,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCN(C)CC6)c(F)c5)cc4)CC3)nn2)CC1,QZNSFKOYTALALQ-UHFFFAOYSA-N
-rxn:4:221965:225877,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5N5CCOCC5)cc4)CC3)nn2)CC1,IJQKBFFCJMHEBV-UHFFFAOYSA-N
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-rxn:4:221977:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(c3nccn4nc(C5CC5)cc34)C2)nc1,KKHMUXRZVLOQHZ-UHFFFAOYSA-N
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-rxn:5:177190:226571:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cnn(CC3CCOCC3)c2)c1,OZKZZEMSLJLHDW-UHFFFAOYSA-N
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-rxn:5:177730:223064:226330,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2C(=O)OC(C)(C)C)s1)N1CCCC1,DYEJRBBKNFBKBA-UHFFFAOYSA-N
-rxn:5:177730:223131:225438,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,PMGVAYQKQZKGET-UHFFFAOYSA-N
-rxn:5:177731:226663:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc(N2CCSCC2)nc1,IAVCPUCRTIKXNE-UHFFFAOYSA-N
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-rxn:5:177736:223056:226350,COC(=O)c1c(C)ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCC(O)CC3)nc2)c1C,KVPLYKXYKSGMGW-UHFFFAOYSA-N
-rxn:5:177736:223139:225632,CN1CCN(c2cccc(-c3ccc(C(=O)OC(C)(C)C)cc3-c3ccc(C4CCNCC4)nc3)c2)CC1,SYMNRYGAGHLWHY-UHFFFAOYSA-N
-rxn:5:177736:225438:225976,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccnc(N3CCOCC3)c2F)cc1)N1CCCC1,QYVUTPXSAKPBCI-UHFFFAOYSA-N
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-rxn:5:177738:225986:226449,COc1cc(-c2ccccc2C2(C)OCCO2)c(-c2ccccc2N2CCCS2(=O)=O)cc1OC1CCC1,DRTQRKBPWDEPSL-UHFFFAOYSA-N
-rxn:5:177739:225982:223061,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cc(C2CCNCC2)ncc1F,WAKKCXQYJSDEGB-UHFFFAOYSA-N
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-rxn:5:180297:225633:226774,COc1cc(-c2ccc(N3CCCCCC3)nc2)c(C2(C)OCCO2)cc1-c1ccc(OC(F)=C(F)F)cc1,BSSIJEQYOYYYDJ-UHFFFAOYSA-N
-rxn:5:180402:225805:222421,CC(c1ccc(-c2ccc(C(=O)C3CCCCC3)c(-c3cncc(S(N)(=O)=O)c3)c2)s1)N1CCOCC1,BMERZZZCUASNMT-UHFFFAOYSA-N
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-rxn:5:181906:222987:225639,Cc1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,RTOGLVGUZBABMB-UHFFFAOYSA-N
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-rxn:5:181908:226652:222987,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCNCC3)nc2C)n(C2CCCCO2)n1,AFMBVIRFGGSZJW-UHFFFAOYSA-N
-rxn:5:182009:226064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)c(C2CCOCC2)c1,OKWJUOYESJAOCD-UHFFFAOYSA-N
-rxn:5:182010:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cncc(C3CCCNC3)c2)c1,ITWNOBUMKKTIEW-UHFFFAOYSA-N
-rxn:5:182011:222960:225683,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCNCC2)c1,NDCIHIHDZPDYKW-UHFFFAOYSA-N
-rxn:5:182011:222988:223064,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)n1,JBFCIMCJBBLZEA-UHFFFAOYSA-N
-rxn:5:182012:226649:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccnc2N2CCOCC2)cc1C1CCCOC1,JTCMXUWCDIXRAS-UHFFFAOYSA-N
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-rxn:5:183189:222985:223063,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)cc2c1OC(C)(C)OC2,SSNHFVLRIGODFO-UHFFFAOYSA-N
-rxn:5:183217:223008:226758,COc1ccc(-c2cc3c(c(-c4cc(C5CCNCC5)ccc4F)c2)OC(C)(C)CC3=O)cc1C(F)(F)F,IJPNQJVEGWIWJS-UHFFFAOYSA-N
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-rxn:5:188931:227093:225987,COC(=O)c1cc(-c2cccnc2C2CCCC2)cc(S(N)(=O)=O)c1-c1ccc(N2CCCS2(=O)=O)cc1,YXVRGDYULMFHRU-UHFFFAOYSA-N
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-rxn:5:193972:228979:225655,CCc1ccccc1-c1cc(C)c(-c2cncc(N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCCCCC1,CZLPSEPBFNZPSY-UHFFFAOYSA-N
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-rxn:5:193972:229018:225679,Cc1cc(-c2c(C)ccnc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)cc1F,UBZHONFOARYEGS-UHFFFAOYSA-N
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-rxn:5:193972:229023:225655,Cc1cc(C)c(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cn1,NXVFWWIKKQVRCG-UHFFFAOYSA-N
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-rxn:5:193972:229026:225655,Cc1cc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)cn1,AYDCWLXMIZZDJI-UHFFFAOYSA-N
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-rxn:5:193972:229034:225655,Cc1ccc(F)c(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,KRISQDXGFWHNDH-UHFFFAOYSA-N
-rxn:5:193972:229035:225655,Cc1cc(-c2cccc(F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,JTKYRCWPGJITPD-UHFFFAOYSA-N
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-rxn:5:193972:229097:225655,Cc1cc(-c2cnc(F)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCC(C)CC2)c1,XLZRCDSYHQMVNP-UHFFFAOYSA-N
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-rxn:5:194058:225607:223062,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCCCC1,QAVYXCQGBDJLKF-UHFFFAOYSA-M
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-rxn:5:194561:226872:222958,Cc1ccc(-c2ccc(-c3cc(F)ccc3OC(F)(F)F)cc2C(=O)N2C3CCC2COC3)cc1C1CCNCC1,VKZRNHKQHNDXMX-UHFFFAOYSA-N
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-rxn:5:194733:228509:227082,CC(C)c1ccc(-c2ccc(-c3ccccc3N3CCCC3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1,IMBDQBJUKGOXHG-UHFFFAOYSA-N
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-rxn:5:194782:226062:227980,CC(C)c1cc(-c2ccc(-c3ccc(C4CC4)cc3F)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cc(C(C)C)c1,XZMWORZBFKDDEK-UHFFFAOYSA-N
-rxn:5:194782:228517:227517,CC#Cc1ccccc1-c1ccc(-c2ccc(OC3COC3)nc2)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,IKVQNBLALMNQBJ-UHFFFAOYSA-N
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-rxn:5:196198:225621:226855,COc1cc(C(F)(F)F)c(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(OC3CCOC3)c(C)c2)cn1,ADRTVNVQGOIVBY-UHFFFAOYSA-N
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-rxn:5:196620:225834:225600,O=C1CCCN1c1ccc(-c2cccnc2OC2CCCCC2)cc1-c1cc(N2CCCCC2)ncc1F,UTCQNZGZEKTBLL-UHFFFAOYSA-N
-rxn:5:196794:225833:223141,O=C1COCCN1c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1cncc(C2CCNCC2)c1,OLKVBGYMCXAGMQ-UHFFFAOYSA-N
-rxn:5:196794:225982:225849,O=C1COCCN1c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cnc(N2CCCCC2)cc1F,BOBWTAHTHAPDSP-UHFFFAOYSA-N
-rxn:5:196858:223062:222960,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cnc(C3CCNCC3)cc2F)cc(C2CCNCC2)c1,ATCIIBXSNVBBBA-UHFFFAOYSA-N
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-rxn:5:196922:226849:225655,COc1nccc(-c2cc(-c3cncc(N4CCC(C)CC4)c3)cc(N3CCCCC3=O)c2)c1C(F)(F)F,CLKICWIZHMMQGT-UHFFFAOYSA-N
-rxn:5:196969:225884:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2COCCO2)c(F)c1,YELDLBXLLDASHD-UHFFFAOYSA-N
-rxn:5:196970:226414:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(C2=NCCCO2)cc1,UDDHQDINHKBGOE-UHFFFAOYSA-N
-rxn:5:196971:225832:223142,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCNC3)nc2)c(C2CCCCC2)cn1,MUDWMINNNZLRTH-UHFFFAOYSA-N
-rxn:5:196971:226652:222987,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3C)c(C3CCCCC3)cn2)n(C2CCCCO2)n1,HBAGERGAFREZQJ-UHFFFAOYSA-N
-rxn:5:197169:223010:225661,Cc1cc(N2CCOCC2)ccc1-c1cc2c(c(-c3ccc(C4(O)CCOCC4)cc3)c1)OCC(C#N)=C2,YTCXUPIRYOLRNY-UHFFFAOYSA-N
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-rxn:5:222985:182011:222959,Cc1cc(-c2cc(C3CCOCC3)ccc2-c2ccc(C3CCCNC3)nc2C)ccc1C1CCNCC1,CAVLZJQVNTUBSJ-UHFFFAOYSA-N
-rxn:5:223000:196859:222988,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCCNC3)c(F)c2)cc(C2CCNCC2)n1,RVSWUYGIMJBWLO-UHFFFAOYSA-N
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-rxn:5:225671:181628:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1C1OCCO1,BRPMLPWNGHDALV-UHFFFAOYSA-N
-rxn:5:225832:196977:226179,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1cncc(C2CCCCC2)c1,RQEXITQPOBTSFT-UHFFFAOYSA-N
-rxn:5:225833:193870:228524,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc3c(c2)CCC3)cc1-c1ccnc(N2CCCCC2)c1F,DGQCBYBNYYAXMJ-UHFFFAOYSA-N
-rxn:5:225985:189540:226414,COC1CN(Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(C3=NCCCO3)cc2)C1,GNQDWJGIYCWRFI-UHFFFAOYSA-N
-rxn:5:225986:196408:225641,CC1CCCN(c2cc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)ccn2)C1,AWQNQJYBXWPEBR-UHFFFAOYSA-N
-rxn:5:225986:196408:225654,CC1CCCN(c2ccc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)C1,YEHCNDMZUMOSTM-UHFFFAOYSA-N
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-rxn:5:226061:178295:228507,CCCc1cccc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GXOCXWUYQXMRFI-UHFFFAOYSA-N
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-rxn:5:226085:178295:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,QKGSCIOHMGBXHZ-UHFFFAOYSA-N
-rxn:5:226140:178295:228592,COC(=O)C1(c2cc(-c3cncc(C(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,RJSRSTCBTDZQSA-UHFFFAOYSA-N
-rxn:5:226154:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,CJWRGOWZMHCIIL-UHFFFAOYSA-N
-rxn:5:226172:193972:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(N4CCCC4)ccc3C)cc2C)ccn1,VFOMPWXARUJMNF-UHFFFAOYSA-N
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-rxn:5:226185:196971:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCOCC3)cc2)ncc1C1CCCCC1,IGHUBPWPKCHSMB-UHFFFAOYSA-N
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-rxn:5:226431:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC4)c(F)c3)cc2-c2ccnc3c2OCCO3)CC1,HBEPZVATFNIWRP-UHFFFAOYSA-N
-rxn:5:226579:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,MHHBFUSNTSIALP-UHFFFAOYSA-N
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-rxn:5:226603:178295:228625,CCc1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,CMNRCDMXRVQHHU-UHFFFAOYSA-N
-rxn:5:226652:180421:223138,Cc1cc(-c2cc(CC3CCCCC3)ccc2-c2ccnc(C3CCNCC3)c2)n(C2CCCCO2)n1,QZQSFAUNIQHFGQ-UHFFFAOYSA-N
-rxn:5:226652:182012:222998,Cc1cc(-c2ccc(-c3cc(F)cc(C4CCCNC4)c3)c(C3CCCOC3)c2)n(C2CCCCO2)n1,ICPSVNZXXCXXLG-UHFFFAOYSA-N
-rxn:5:226654:196971:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2csc(N3CCC(C)CC3)n2)ncc1C1CCCCC1,UUQGEYKOBQJOJB-UHFFFAOYSA-N
-rxn:5:226664:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)ncc3F)cc2-c2ccnc3c2OCCO3)CC1,QGULMQHHXKTJFD-UHFFFAOYSA-N
-rxn:5:226679:193506:223311,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2cccc(C3CNC3)c2)CC1,YGBNZJJGNUJRRK-UHFFFAOYSA-N
-rxn:5:226679:193506:223312,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccc(C3CNC3)cc2)CC1,PUOVFCNSIXPGNO-UHFFFAOYSA-N
-rxn:5:226679:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,SYQIWATXRCLRGM-UHFFFAOYSA-N
-rxn:5:226686:181904:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1c(C)cnn1C1CCCCO1,RSHLVRSSWBKYHQ-UHFFFAOYSA-N
-rxn:5:226686:182012:225832,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2CCCOC2)c1,MTXWKRQVSJDMMJ-UHFFFAOYSA-N
-rxn:5:226686:183189:222990,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCC(O)CC3)cc2)cc2c1OC(C)(C)OC2,PBVIKNBOMYLFKW-UHFFFAOYSA-N
-rxn:5:226686:183189:223008,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCNCC3)ccc2F)cc2c1OC(C)(C)OC2,CDIJHVOGZOWIHZ-UHFFFAOYSA-N
-rxn:5:226686:196870:222987,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)nc2C)cc(N2CCOCC2)c1,RGHPPJGIJSVJGE-UHFFFAOYSA-N
-rxn:5:226686:196873:225407,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)cc1-c1ccc(C2CCCCCC2)cc1,KSHPDRDJVRWHGR-UHFFFAOYSA-N
-rxn:5:226910:178295:223358,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(NC(C)=O)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,LVXGZOOFZJOZQV-UHFFFAOYSA-N
-rxn:5:226910:191026:227970,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccncc4C(C)(C)C)c2)C=C(C(=O)OC)S3(=O)=O)cc1,SCRJWZGVCFUIGS-UHFFFAOYSA-N
-rxn:5:226914:178295:228231,COC(=O)C1(c2cc(-c3ccc(N(C)C)cc3F)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,ABZOPXMSRBGMRT-UHFFFAOYSA-N
-rxn:5:226918:178295:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C4=CCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,PUJOQOKYKLFTPY-UHFFFAOYSA-N
-rxn:5:226920:178295:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(C(C)(C)C)ccc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,IENDNURVVNVXDF-UHFFFAOYSA-N
-rxn:5:226920:189207:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(C(C)(C)C)ccc2C)cc1C(=O)ON1C(=O)CCC1=O,FTMSPKNWFCVBAV-UHFFFAOYSA-N
-rxn:5:226968:178295:223285,COC(=O)C1(c2cc(-c3ccccc3NS(C)(=O)=O)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,LIEDBEDXJQKHNF-UHFFFAOYSA-N
-rxn:5:227048:178295:227415,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3F)ccc2-c2ccc(C(=O)C(C)C)cc2)CCC(=O)CC1,XKGIBMNUCJCRHM-UHFFFAOYSA-N
-rxn:5:227051:178295:227974,CCC(=O)c1ccc(-c2ccc(-c3c(C)cc(OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,QZBBVBVSEXXPFV-UHFFFAOYSA-N
-rxn:5:227064:178295:228721,COC(=O)C1(c2cc(-c3ccnn3C(C)(C)C)ccc2-c2ccccc2OC(C)(C)C)CCC(=O)CC1,QCDHJSCBKXSTLE-UHFFFAOYSA-N
-rxn:5:227070:178295:228181,CCOc1cc(C)c(C)cc1-c1ccc(-c2ccc(F)cc2COC)cc1C1(C(=O)OC)CCC(=O)CC1,BMNOHUFPFNNTAY-UHFFFAOYSA-N
-rxn:5:227075:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(OC)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FYYYGTCBMPIAJE-UHFFFAOYSA-N
-rxn:5:227075:178295:227971,COC(=O)C1(c2cc(-c3cnccc3C(C)(C)C)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,JFDGTDPTMIBTKK-UHFFFAOYSA-N
-rxn:5:227290:178295:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2cccc(C(=O)N(C)C)c2)CCC(=O)CC1,UZGRAWIVCDWCCU-UHFFFAOYSA-N
-rxn:5:227309:178295:228206,CCC(C)c1cc(-c2ccc(-c3cc(F)cc(N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,IDGQJFXXZOLAGI-UHFFFAOYSA-N
-rxn:5:227309:178295:228967,CCC(C)c1cc(-c2ccc(-c3cn(C)nc3C(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,YUGVISOTEKGMIT-UHFFFAOYSA-N
-rxn:5:227312:178295:227290,CCC(C)c1ccc(-c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,HRCUSDOVUWWBBX-UHFFFAOYSA-N
-rxn:5:227314:178295:227939,COC(=O)C1(c2cc(-c3ccccc3C(C)OC)ccc2-c2ccc(CC(C)C)nc2F)CCC(=O)CC1,KSWRXCOHDCECFY-UHFFFAOYSA-N
-rxn:5:227319:178295:228176,COCc1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,VSANDDCUXNBRIB-UHFFFAOYSA-N
-rxn:5:227340:178295:227910,CCC(C)c1ccc(-c2ccc(-c3ccc(C)c(C(=O)OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,LXACTEVCRXDQNY-UHFFFAOYSA-N
-rxn:5:227353:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,QCTPYLOJFUOQHM-UHFFFAOYSA-N
-rxn:5:227387:193681:225985,CN1CCC(Oc2cc(-c3ccnc(N4CCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,INPYZJUFEISSMT-UHFFFAOYSA-N
-rxn:5:227534:178295:228157,CCOc1cc(F)c(-c2ccc(-c3ccc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,SGNOMHDRFOWAOV-UHFFFAOYSA-N
-rxn:5:227540:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,UUBGAEVSOMDTPW-UHFFFAOYSA-N
-rxn:5:227540:178295:228431,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3SC)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,WXQTZPGBKNSEHW-UHFFFAOYSA-N
-rxn:5:227562:178118:225671,COc1ccc(F)c(-c2ccc(-c3cc(C4CCCCC4)ncc3F)cc2OCC2CCCCO2)c1OC,GQTMNQZJPWUFLZ-UHFFFAOYSA-N
-rxn:5:227562:178226:225677,COc1ccc(F)c(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCC3)nc2F)c1OC,KZYCIACPDNVBCC-UHFFFAOYSA-N
-rxn:5:227568:178295:228274,COC(=O)C1(c2cc(-c3cc(SC)c(C)cc3F)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,VDUBGPYWNMRGJJ-UHFFFAOYSA-N
-rxn:5:227588:180662:225674,COC(=O)C1=Cc2cc(-c3cnc(C4CCCCC4)cc3F)cc(-c3c(OC)cc(F)cc3OC)c2OC1,ASEWMQOWRCVBDD-UHFFFAOYSA-N
-rxn:5:227592:178226:225394,COc1cc(F)cc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,FTZDYEKDOBRURQ-UHFFFAOYSA-N
-rxn:5:227610:192880:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccn(C3CCCCO3)n2)ccnc1OC1CCCC1,YSUXCPCVOSZTTI-UHFFFAOYSA-N
-rxn:5:227816:178295:227069,CCCc1ccc(-c2ccc(-c3ccc(OC)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,HXXKKVCELQOPOD-UHFFFAOYSA-N
-rxn:5:227816:178295:227299,CCCc1ccc(-c2ccc(-c3cc(F)cc(CN(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,BVSOWKYSRHFKQC-UHFFFAOYSA-N
-rxn:5:227818:178295:226215,CCC(C)c1cccc(-c2ccc(-c3ccc4c(c3)CC/C4=N\OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZBUBOZLMDWIZFD-LVYIWIAJSA-N
-rxn:5:227818:178295:226907,CCC(C)c1cccc(-c2ccc(-c3cccc4c3CCC43CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QKUZPPZOWXAICW-UHFFFAOYSA-N
-rxn:5:227868:193506:226679,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCC4)cc2-c2cnc(N3CCCC3)cc2F)CC1,RTYGNOAVOUHVOA-UHFFFAOYSA-N
-rxn:5:227891:178295:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccccc2CN(C)C)CCC(=O)CC1,QJQHMJCCTCQGPM-UHFFFAOYSA-N
-rxn:5:227904:178295:227330,CCN(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,VQPCRXYLKRQGMJ-UHFFFAOYSA-N
-rxn:5:227909:178295:227068,CCC(C)c1cc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,VABOBFDCOZJXSL-UHFFFAOYSA-N
-rxn:5:227922:178295:226974,CCc1cc(OC)ccc1-c1ccc(-c2ccc3c(c2)COC3(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,HFWPZGSFCCVING-UHFFFAOYSA-N
-rxn:5:227926:178295:223285,COC(=O)C1(c2cc(-c3ccccc3NS(C)(=O)=O)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,SDSBKGLAFGDYGP-UHFFFAOYSA-N
-rxn:5:227927:178295:226920,CCC(=O)c1cccc(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VPKUKDNUOMCDDJ-UHFFFAOYSA-N
-rxn:5:227932:178295:227544,COCc1ccc(C)c(-c2ccc(-c3cc(F)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,MTVSTWRGHNWKRU-UHFFFAOYSA-N
-rxn:5:227933:178295:226579,CCc1ccc(OC)cc1-c1ccc(-c2cc(F)cc(C(=O)N(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,WPURSNVPRRTUPD-UHFFFAOYSA-N
-rxn:5:227933:193866:226341,CCc1ccc(OC)cc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1cc(C(C)C)c(F)cc1OC,VPFKWKGNUAJJAP-UHFFFAOYSA-N
-rxn:5:227939:178295:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2ccccc2C(C)OC)CCC(=O)CC1,WQJLHEPCZMQGMI-UHFFFAOYSA-N
-rxn:5:227941:178295:227339,COCc1cc(C)cc(-c2ccc(-c3ccc(C)cc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YULJIKYKDSYNLJ-UHFFFAOYSA-N
-rxn:5:227955:178295:227290,COC(=O)C1(c2cc(-c3cccc(C(=O)N(C)C)c3)ccc2-c2cc(C)cnc2C(C)C)CCC(=O)CC1,IWYKCQNYKGLLBT-UHFFFAOYSA-N
-rxn:5:227977:178295:227346,CCCc1cc(F)c(-c2ccc(-c3cc(C)c(OC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,CDEAQVBDELGLIX-UHFFFAOYSA-N
-rxn:5:227979:178295:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,WAMVYIORWGAUTH-UHFFFAOYSA-N
-rxn:5:228000:178295:226191,COC(=O)C1(c2cc(-c3cc(C4CCCC4)ccc3F)ccc2-c2cc(C)c(C)cc2OC)CCC(=O)CC1,WMUUTVZYTPOYTR-UHFFFAOYSA-N
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-rxn:5:228106:178295:227591,CCC(C)c1ncc(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PVSNEUCLPSJNHS-UHFFFAOYSA-N
-rxn:5:228141:178295:227079,CCCc1cc(F)c(-c2ccc(-c3cc(CC(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,YMTWMIKVYWUTOC-UHFFFAOYSA-N
-rxn:5:228146:178295:227068,CCc1cncc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,JTDQCEZIQFRNLX-UHFFFAOYSA-N
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-rxn:5:228157:178295:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2ccc(OC)cc2OC)CCC(=O)CC1,KXLZAFZSGKPQFQ-UHFFFAOYSA-N
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-rxn:5:228179:178295:227297,COCc1cc(F)cc(-c2ccc(-c3cc(CN(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XJEJFLCNCISQHV-UHFFFAOYSA-N
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-rxn:5:228507:178295:226212,CCCc1cccc(-c2ccc(-c3ccc4c(c3)CCC4=NOC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NWCZLOOYGVGZTJ-UHFFFAOYSA-N
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-rxn:5:228991:178295:226582,CCCc1sccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,CUVKDNXFQUCLJJ-UHFFFAOYSA-N
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-rxn:5:229060:193972:225834,Cc1cc(-c2ccc(C#N)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(N2CCCCC2)ncc1F,IUFKJKHQBFSXTP-UHFFFAOYSA-N
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-rxn:4:173423:224367,CC(C)COc1cc(-c2ccc(OC(F)(F)F)c(OCC(C)C)c2)ccc1OCC(F)(F)F,FSTMHGCATNKIHL-UHFFFAOYSA-N
-rxn:4:173509:222682,COc1cccc(-c2cc(OCC3CC3)cc(C(=O)OC(C)(C)C)c2)c1NC(=O)OC(C)(C)C,FNKXCULFFIZDSJ-UHFFFAOYSA-N
-rxn:4:173526:223579,COc1ccc(CC(=O)c2cc(OC)c(OC)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)c2)cc1,OOTAQMQXJOFPFM-UHFFFAOYSA-N
-rxn:4:173544:224663,COC(=O)c1ccc(-c2ccc(CN3CCN(C)CC3)c(F)c2)c(OCCC2CCCCC2)c1,ZEENXSLLVCPSRR-UHFFFAOYSA-N
-rxn:4:173602:225514,COC(=O)C12CC(COc3ccc(-c4cccc5c4OCC4(CC4)CO5)c(OC)c3)(C1)C2,DTLYUBTZEWARJQ-UHFFFAOYSA-N
-rxn:4:173611:222843,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(C)cc3C(=O)NC(C)(C)C)cc1)C2=O,MIGLKAFFVAWWKL-UHFFFAOYSA-N
-rxn:4:173612:222781,CCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cnc(C)cc3NC(=O)OC(C)(C)C)c1)C2=O,OAUGCCHVBFXVTD-UHFFFAOYSA-N
-rxn:4:173612:224845,CCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c1)C2=O,KCKOVBCUGKKEMG-UHFFFAOYSA-N
-rxn:4:173650:225269,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(C(=O)OC)cc3C(=O)OC)c1)C2=O,IIGIKCQKAOAMRY-UHFFFAOYSA-N
-rxn:4:173706:224566,CCCC(=O)c1cc2c(cc(-c3ccc(C4(C(=O)OC)CCCC4)cc3)c3oc(C)c(C(=O)OCC)c32)oc1=O,VCNCUBPURVSXCZ-UHFFFAOYSA-N
-rxn:4:173712:222807,O=C(NC1CC1)c1cc(-c2ccc(OCC(F)(F)F)c(OC(F)(F)F)c2)cc([N+](=O)[O-])c1,NQUKPGPBNQMCFT-UHFFFAOYSA-N
-rxn:4:173787:224100,COC(=O)c1cc(F)c(OCC(F)F)cc1-c1ccccc1OCCN1CCC(C)CC1,JHPNFULZCRSQLP-UHFFFAOYSA-N
-rxn:4:173811:223125,CC(C)NC(=O)c1ccc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c2)cc1,XILBWZXYJSNERD-UHFFFAOYSA-N
-rxn:4:173914:223889,COC(=O)CC(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c(OC)c1,FEOYHVUFWBTBFW-UHFFFAOYSA-N
-rxn:4:174010:224409,COC(=O)C(=O)c1cc(OC)c(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)cc1OC,NTPDJPSWEPUTTC-UHFFFAOYSA-N
-rxn:4:174106:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(OCC5CCC5)cc4OC(F)(F)F)c3C(=O)C1C2(C)C,LSXUALXTVOSJHN-UHFFFAOYSA-N
-rxn:4:174131:222545,COC(=O)C(C)(C)COc1cccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1,KQAKBPVAURFIGN-UHFFFAOYSA-N
-rxn:4:174155:222676,CC(C)(C)OC(=O)COc1cccc(-c2cc(F)ccc2CNC(=O)OC(C)(C)C)c1F,AIHLGZYFPKLHRE-UHFFFAOYSA-N
-rxn:4:174184:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C(=O)OCc4ccccc4)cc3C(F)(F)F)cc2)C1,CUJRXCGSUYVOIF-UHFFFAOYSA-N
-rxn:4:174305:222679,CCOC(=O)CC1CC(c2cccc(-c3cc(NC(=O)OC(C)(C)C)ccc3OC)c2)C1,UXJXTMYFBJFGCL-UHFFFAOYSA-N
-rxn:4:174308:224162,COC(=O)C(C)(C)COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c(C)c1,JWQCHBKNQPWPSN-UHFFFAOYSA-N
-rxn:4:174406:224597,COC(=O)C1(c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cc2)CC(OC)(OC)C1,GYSZBWWOCOBUQS-UHFFFAOYSA-N
-rxn:4:174406:225043,COC(=O)C1(c2ccc(-c3ccc(OC4CCCCC4)c(F)c3)cc2)CC(OC)(OC)C1,BPCURPAQWAJTSV-UHFFFAOYSA-N
-rxn:4:174407:225123,COC(=O)C1(c2cccc(-c3ccncc3OCC3CCCCO3)c2)CC(OC)(OC)C1,NFQOEDXTTGGIJR-UHFFFAOYSA-N
-rxn:4:174495:223583,COC(=O)c1ccc2c(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC)c3)cn(C(=O)OC(C)(C)C)c2c1,JQJZGYACIFQNLA-UHFFFAOYSA-N
-rxn:4:174496:222539,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)c2)c1,KTZSDWGFIOYTCK-UHFFFAOYSA-N
-rxn:4:174515:224491,CC(C)N(Cc1cc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)ccc1F)C(C)C,LVCJHBVNTRCIKF-UHFFFAOYSA-N
-rxn:4:174522:222779,CC(C)[Si](C#Cc1ccc(-c2ccncc2CNC(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,UJJLPXADXUXSNN-UHFFFAOYSA-N
-rxn:4:174602:225269,CCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(-c3ccc(C(=O)OC)cc3C(=O)OC)ccc1OC)C2=O,UEOUMLBDGKSTNL-UHFFFAOYSA-N
-rxn:4:174649:226107,COc1ccc(-c2cc(C)cc(OCC3CC3)c2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,HBMIGMAWMFNMHG-UHFFFAOYSA-N
-rxn:4:174656:222908,CC(C)[Si](C#Cc1cccc2cccc(-c3cncc(NC(=O)OC(C)(C)C)c3)c12)(C(C)C)C(C)C,NMFGMUHDJIDJPP-UHFFFAOYSA-N
-rxn:4:174662:222629,CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5cc(C6CCCNC6)nc(C(C)(C)C)c5)ccc3-4)cc21,CPHPOPOLPQBISI-UHFFFAOYSA-N
-rxn:4:175040:223813,COC(=O)C(C)Oc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1F,VCJNEULRSKLEIM-UHFFFAOYSA-N
-rxn:4:175057:222521,CCOC(=O)c1c(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)ccc(OC)c1F,CVVBJZYLLMNSSC-UHFFFAOYSA-N
-rxn:4:175371:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cc(F)c(OCCC3OCCO3)cc2F)CC1,JQEMXBNTDBGZHL-UHFFFAOYSA-N
-rxn:4:175822:224656,C#Cc1cc(F)c(OCC2CCOCC2)c(-c2ccc(OC)c(OC3CCCC3)c2F)c1,PVBMMYNJSZWFGI-UHFFFAOYSA-N
-rxn:4:175933:223866,CC(C)(C)OC(=O)C1(c2ccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc2)CC1,LVOUDMXUHJBHOX-UHFFFAOYSA-N
-rxn:4:176018:224100,COc1cc(-c2ccccc2OCCN2CCC(C)CC2)c(F)cc1OCC1CCCCC1,QZUUPWFKCKIPMM-UHFFFAOYSA-N
-rxn:4:176282:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3Cl)C4=O)cc2)CC1,KDLVNAZOTUDMLH-UHFFFAOYSA-N
-rxn:4:176313:225047,Cc1cc(-c2ccc(COc3ccc4c(c3)OC(=CC3=Cc5ccccc5OC3C)C4=O)cc2)cnc1N1CCC(C)CC1,YADGGYZJFNUVOF-UHFFFAOYSA-N
-rxn:4:176444:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3C(F)(F)F)cc2)CC1,YGMKFVGQVAZYEO-IYARVYRRSA-N
-rxn:4:176942:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)ccc3OC(C)(F)F)ccc2C)CC1,UREZLQMJQSARHE-UHFFFAOYSA-N
-rxn:4:177240:224329,Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,BFHWELKQPSFYDW-UHFFFAOYSA-N
-rxn:4:177687:224178,CN1CCN(CCOc2cccc(-c3ccc(S(=O)(=O)Oc4c(F)c(F)c(F)c(F)c4F)c(Cl)c3)c2)CC1,NIWROMWUTTWEIL-UHFFFAOYSA-N
-rxn:4:177839:223728,CCCCCC1CCC(c2ccc(-c3cccc(C4(C(=O)OC)CCC4)c3)c(F)c2)CC1,XCSLIDLBUSQPCR-UHFFFAOYSA-N
-rxn:4:177951:223573,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(C)C)c1OC,CWXIORVCWCZUAP-UHFFFAOYSA-N
-rxn:4:178154:224187,Fc1cc(OCCN2CCCCC2)ccc1-c1c(F)c(F)c(COC2CCCCO2)c(F)c1F,JCXOOXMNUAQNSO-UHFFFAOYSA-N
-rxn:4:178326:224061,CCCC1CCC(c2ccc(-c3cc(C(=O)OC)ccc3C3CCCCC3)c(F)c2)CC1,NCWYZXISXCLPNT-UHFFFAOYSA-N
-rxn:4:178327:222539,COC(=O)C1(c2ccc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cc2)CCCCC1,CSKIFHXERQLXAC-UHFFFAOYSA-N
-rxn:4:178381:222898,COC(=O)CNC(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1,DKHHGMTYLDWWMI-UHFFFAOYSA-N
-rxn:4:178384:224949,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1CN1CCCC1,YIUVILDITFSWKS-UHFFFAOYSA-N
-rxn:4:178384:227828,Cc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cccc1C1CC1,AKHNDGLUHFQHSN-UHFFFAOYSA-N
-rxn:4:178384:228256,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C)c1F,AIMGJZJNFQMMBC-UHFFFAOYSA-N
-rxn:4:178384:228599,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C,CTDYATOSVURIAK-UHFFFAOYSA-N
-rxn:4:178419:224404,CCOC(=O)c1cc2c(cc1-c1ccc(S(=O)(=O)N3CCOCC3)c(F)c1)OC(F)(F)O2,APJKCPPPNJDESY-UHFFFAOYSA-N
-rxn:4:178482:224187,COC(=O)C1=Cc2cc(-c3ccc(OCCN4CCCCC4)cc3F)cc(OC)c2OC1,YTGYZBPZQCKZGY-UHFFFAOYSA-N
-rxn:4:178518:223712,COC(=O)C12CCC(c3cccc(-c4ccc(OC)c(C56CC7CC(CC(C7)C5)C6)c4)c3)(C1)C2,QDUCHDKJSQXIFG-UHFFFAOYSA-N
-rxn:4:178594:224755,O=C(c1ccc(F)c(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)c1)N1CCOCC1,RZTNCSGABNDAJY-UHFFFAOYSA-N
-rxn:4:178597:225226,CC1CCN(c2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(F)cn2)CC1,QOVMEIFZUFSWQL-UHFFFAOYSA-N
-rxn:4:178597:225438,CC(c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1)N1CCCC1,QJZPVHPHCSKLGN-UHFFFAOYSA-N
-rxn:4:178597:226219,Cc1ccc2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(F)c2n1,JZQQCGMDHMMQGN-UHFFFAOYSA-N
-rxn:4:178597:226279,Cc1cnc(OCC(C)C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,YLRJMOXVLOQXDE-UHFFFAOYSA-N
-rxn:4:178597:226509,CC(C)COc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(F)n1,XNGVZEXNUXDJHB-UHFFFAOYSA-N
-rxn:4:178597:226622,Cc1nn(-c2ccncc2)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,PJZZKVWSJKFHIF-UHFFFAOYSA-N
-rxn:4:178597:227075,COc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C(C)C)c1,ASWPNBNQZNVLEL-UHFFFAOYSA-N
-rxn:4:178597:229211,Cc1ncccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,SJXCZVFNWGAPAB-UHFFFAOYSA-N
-rxn:4:179914:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C(=O)c2ccccc2Cl)c1F,QCJOIPCGZOOTBR-UHFFFAOYSA-N
-rxn:4:180027:223809,COc1c(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc(F)cc1C1OCCO1,BWOAJSJGYHSECS-UHFFFAOYSA-N
-rxn:4:180290:223813,COc1c(C)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1C1OCCO1,QFUWTVVZTUKQAF-UHFFFAOYSA-N
-rxn:4:180481:223712,COc1ccc(-c2c(C)cc(C)cc2OC2CCCCO2)cc1C12CC3CC(CC(C3)C1)C2,DSKVQMWLCHOCDH-UHFFFAOYSA-N
-rxn:4:180721:223712,COC(=O)C1(C)CCc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc21,DLMLJAIRJBZULX-UHFFFAOYSA-N
-rxn:4:180815:222743,COc1ccc(-c2ccc(C(C)N3CCC(O)CC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,KTXHEISRVLGHAY-UHFFFAOYSA-N
-rxn:4:180815:222929,COc1ccc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,BXCLDYLFIXSDAG-UHFFFAOYSA-N
-rxn:4:180815:225187,COc1ccc(-c2cc(Cl)ccc2CN2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,XTBDQPJCQNRPLH-UHFFFAOYSA-N
-rxn:4:180815:225213,COc1ccc(-c2ccc(N3CCN(C)CC3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2,BBCWVNHGDGOTIT-UHFFFAOYSA-N
-rxn:4:181924:222466,Cc1c(F)cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(C2OCCO2)c1F,ZBMMHIFDHUBEHE-UHFFFAOYSA-N
-rxn:4:181955:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC(=O)CCO4)cc3)cc2)CC1,DIOQNBHWWZXFME-UHFFFAOYSA-N
-rxn:4:182359:224617,COC1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cc1C2=O,XXOJEOPBUFAEMD-UHFFFAOYSA-N
-rxn:4:182359:224775,COC1CCC2(CC1)Oc1ccc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)cc1C2=O,COQURFKCXFWKAB-UHFFFAOYSA-N
-rxn:4:182371:223888,CC(C)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc2c1OC(C)(C)CC2,UYTHDCBYFNAVSB-UHFFFAOYSA-N
-rxn:4:182372:222900,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3csc(CNC(=O)OC(C)(C)C)c3)cc1C2=O,VJBGNJQHWLIYCM-FEHRVWHQSA-N
-rxn:4:182372:223892,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cc1C2=O,QIDPPHHDXRSBIW-UAHYGDRYSA-N
-rxn:4:182372:224621,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCN4CCSCC4)cc3)cc1C2=O,QPLOYGSMNSRMPJ-JIBACQESSA-N
-rxn:4:182374:222752,CC(=O)c1cc2c(cc1-c1ccc(NC(=O)OC(C)(C)C)cc1C)C(C)(C)CCC2(C)C,WGZLKAPLNDAXHT-UHFFFAOYSA-N
-rxn:4:182376:222743,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(C)N5CCC(O)CC5)cc4)cc3C2=O)C[C@@H]1C,XYMHLRYKDXUFSA-DYCUHFFJSA-N
-rxn:4:182376:225090,CCOCc1cc(OC)c(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c(OC)c1,PLJHGBXMEJBYIT-OSELZAKSSA-N
-rxn:4:182376:225177,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCSCC5)c(F)c4)cc3C2=O)C[C@@H]1C,JMVQLRQBTBRVGB-CCMMMYSXSA-N
-rxn:4:182416:224314,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cccc(-c3nnc(-c4cccs4)o3)c2)cc1,SLPLLKSPSCRISE-UHFFFAOYSA-N
-rxn:4:182533:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1c(Cl)ccc(F)c1C,SEKXCGGURHQVRA-UHFFFAOYSA-N
-rxn:4:183269:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cc2c(cc1C)C(C)(C)C=CC2(C)C,MOWNXAKFTYXJDV-UHFFFAOYSA-N
-rxn:4:183271:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,YMVIQSBPHIJHBI-UHFFFAOYSA-N
-rxn:4:183271:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc4c(c3)OCCOCCOCCOCCO4)cn2)CC1,PMWSYWIGIKNNFM-UHFFFAOYSA-N
-rxn:4:183272:227625,c1cc2c(cc1-c1cnc(C3CCCO3)nc1)OCCOCCOCCOCCOCCO2,SYTHMCIJDFQGPQ-UHFFFAOYSA-N
-rxn:4:183272:228181,COCc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,TXVOUAQNBIMRES-UHFFFAOYSA-N
-rxn:4:183273:228409,COc1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1Cl,BYIHCHUPSMYALS-UHFFFAOYSA-N
-rxn:4:183273:228436,COc1ccc(F)c(Cl)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,LKJOZLJTUQBWTN-UHFFFAOYSA-N
-rxn:4:183379:225389,CCC(C)c1cc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cc(C2CC2)c1,SFTXCBLSWDGSGP-UHFFFAOYSA-N
-rxn:4:183529:223648,CCOC(=O)Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C#N)c(C(F)(F)F)c1,FOLVXJZWINCXNT-UHFFFAOYSA-N
-rxn:4:183531:224401,CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)c(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)c1,PUTBQUSCGLYWAS-UHFFFAOYSA-N
-rxn:4:183645:225433,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(CSC3CCCC3)cc2)cc1OCC(F)F,BUQWPILDDADEHJ-UHFFFAOYSA-N
-rxn:4:183750:223825,FC(F)(F)Oc1ccc(OCCN2CCOCC2)c(-c2cnc(OCc3ccccc3)c(C(F)(F)F)c2)c1,BMGTZVVHEYBAIP-UHFFFAOYSA-N
-rxn:4:183759:225156,COCCOc1ccc(-c2cc(C(=O)N3CCCC3)ccc2F)cc1C(=O)N1CCCC1,LVXBIXBSAGKUFD-UHFFFAOYSA-N
-rxn:4:183779:224493,CN(CCc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1)C(=O)OC(C)(C)C,RYAINKKQQUHRQK-UHFFFAOYSA-N
-rxn:4:183820:224420,Cc1cc2c(cc1-c1ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc1)C(C)(C)CCC2(C)C,WZXSAHRJGPBCCA-UHFFFAOYSA-N
-rxn:4:183836:224649,CCN(C(=O)COc1ccc(-c2cc(F)ccc2OCC2CCCCO2)cc1)C1CCS(=O)(=O)C1,KWXHQODJRQYWMC-UHFFFAOYSA-N
-rxn:4:183864:225881,COC(=O)CN1CCCC(COc2cccc(-c3ccc(C4CCOCC4)nc3F)c2)C1,OTGNMCCYRKAZBC-UHFFFAOYSA-N
-rxn:4:183893:226989,CCN(CC)c1ccc(-c2cccc(F)c2OCCCN2CCCC(C(F)(F)F)C2)cc1,GUWQLNYYJLVPNN-UHFFFAOYSA-N
-rxn:4:183961:224120,Cc1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)ccc1CO[Si](C)(C)C(C)(C)C,QSJDZAUQOKPPQA-SANMLTNESA-N
-rxn:4:183969:223141,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cncc(C4CCNCC4)c3)c(OC)c2)CC1,HFPJDHMWWOPYFB-UHFFFAOYSA-N
-rxn:4:183996:222469,COc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)c(CN(C(=O)OC(C)(C)C)C4CCCC4)c3)cc2)cc1,CNXWQXJWDNGJNB-UHFFFAOYSA-N
-rxn:4:184010:226419,CCOc1ccc(-c2ccc(N3CCCC3)cc2Cl)cc1S(=O)(=O)N(CC)C1CCCCC1,ZVKXCLQXCHQPSJ-UHFFFAOYSA-N
-rxn:4:184021:223673,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cccc(COc2cc(C(F)(F)F)ccc2Cl)c1)C1CCOCC1,FTCHFCMEYUYPFY-UHFFFAOYSA-N
-rxn:4:184039:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCC(COCc5ccc(Cl)cc5)CC4)c3)c2)CC1,FOVJINMMORRGOJ-UHFFFAOYSA-N
-rxn:4:184053:225408,CN(Cc1cc(-c2cc3c4c(c2)CCCN4CCC3)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,LFENFRYMVUATLC-UHFFFAOYSA-N
-rxn:4:184054:223280,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cnc(C4CCNC4)nc3)cc2)CC1,STHSEYJWSYAUAO-UHFFFAOYSA-N
-rxn:4:184094:224842,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)C2CCS(=O)(=O)C2)cc1,IWDPESQLFXFGIL-UHFFFAOYSA-N
-rxn:4:184104:222439,CCOC(=O)c1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c2ccccc2n1CCOC,VEERMXQIKYNCNS-UHFFFAOYSA-N
-rxn:4:184136:223845,CCOC(=O)c1cc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)ccc2n1C(=O)OC(C)(C)C,IYFJIRRIFYGANE-UHFFFAOYSA-N
-rxn:4:184182:222445,COc1cccc(CNC(=O)c2cccc(-c3cc(CCC(=O)N4C5CCC4CC(SC)C5)ccc3OC)c2F)c1,NBAOEARMBZVRNC-UHFFFAOYSA-N
-rxn:4:184182:222777,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1ccc(CN2CCC(O)CC2)c(Cl)c1,NZWMKLPMGKFBIN-UHFFFAOYSA-N
-rxn:4:184215:223599,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c2ccccc12)C1CCOCC1,CNPYQVFVVATBNU-UHFFFAOYSA-N
-rxn:4:184261:222466,COC(=O)COc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1C#N,SFWJYUDRSUQBGV-UHFFFAOYSA-N
-rxn:4:184382:223813,COC(=O)Cc1c(C(F)F)ccc(C#N)c1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,IJORXTVBDJAXMA-UHFFFAOYSA-N
-rxn:4:184438:223541,CCOC(=O)c1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc(C(F)F)c1C#N,WAPPXKQJMQZDBH-UHFFFAOYSA-N
-rxn:4:184487:223531,CCOC(=O)c1c(C#N)ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1C(F)(F)F,HYZAKDAYMXZXCH-UHFFFAOYSA-N
-rxn:4:184774:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(CCC(=O)ON2C(=O)CCC2=O)c1,MYFZJPDMFKZFQP-UHFFFAOYSA-N
-rxn:4:184913:224458,COC(=O)C1CN(Cc2ccc(-c3ccc(C(C)N4CCC(C)CC4)cc3)cc2OC)C1,OVJJUMDMJDTSTG-UHFFFAOYSA-N
-rxn:4:184915:224590,COC(=O)C1CN(Cc2cc(OC)cc(-c3ccc(CN4CCC(C)CC4)cc3F)c2)C1,OVSLKAMQWNVNTO-UHFFFAOYSA-N
-rxn:4:184978:223772,COc1cc(-c2cc3ccc(OC)cc3n2C(=O)OC(C)(C)C)cc(N(C)C(=O)OC(C)(C)C)c1,OEFPPORMIKVOOI-UHFFFAOYSA-N
-rxn:4:184978:224420,COc1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc(N(C)C(=O)OC(C)(C)C)c1,XZDFBBPFKPWQQM-UHFFFAOYSA-N
-rxn:4:185047:225952,Cc1nc(N2CCOCC2)ncc1-c1cccc(CN2CCCCC2)c1OCC(F)(F)F,AVBZHOHJHKMALE-UHFFFAOYSA-N
-rxn:4:185051:224842,CC1(C)CCC(C)(C)c2cc(-c3ccc(OCC4CCN(CC(F)(F)F)CC4)cc3)ccc21,XAVWDNDXWLOYEL-UHFFFAOYSA-N
-rxn:4:185081:224426,Cc1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1CN(C)C(=O)OC(C)(C)C,LVBWJVUZBRJWBD-UHFFFAOYSA-N
-rxn:4:185095:224371,COC(=O)C1CCN(c2ncc(-c3c(OC)cccc3C(=O)N(C(C)C)C(C)C)cn2)CC1,RZHROJUZZXUVEK-UHFFFAOYSA-N
-rxn:4:185110:222429,COC1CCN(Cc2ccc(-c3ccc(CNC(=O)c4ccc(F)cc4C(F)(F)F)cc3)cc2OC(F)(F)F)CC1,QBKPTYOOKMTNPJ-UHFFFAOYSA-N
-rxn:4:185139:224359,CCN(CC)C(=O)c1cc(-c2cc(CCN3CCC(C(=O)OC)CC3)ccc2F)cc([N+](=O)[O-])c1,NOLGXYHEJSCFHB-UHFFFAOYSA-N
-rxn:4:185160:227274,COC(=O)c1ccc(-c2ccc(CSC(C)=O)cc2)c(CN2CCCC(C(F)(F)F)C2)c1,IGIGWAQBWHELIF-UHFFFAOYSA-N
-rxn:4:185173:223683,Cc1cc(OC2CN(C(=O)Cc3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc3)C2)cc(=O)o1,XWBASQIEGSAWLX-UHFFFAOYSA-N
-rxn:4:185203:224933,COc1ccc(-c2ccc(OCCN3CCCC3)cc2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,PLVAPKYEGKERNK-UHFFFAOYSA-N
-rxn:4:185212:223841,Cc1cc(F)c(-c2ccc(CC3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,LNZMOILAMDBCKX-UHFFFAOYSA-N
-rxn:4:185248:226249,CCCCOc1cc(Cl)cc(-c2cc(OC)c(CN3CCCC(C(F)(F)F)C3)c(OC)c2)c1,MVIYNOVWUIZTLU-UHFFFAOYSA-N
-rxn:4:185296:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccccc3N3C(=O)C(=Cc4ccc(OCC)c(OC)c4)SC3=S)c(F)c2)CC1,ABGVIVFEVGDVNX-HCGLCNNCSA-N
-rxn:4:185321:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,ZHPHIDSNANLJQN-UHFFFAOYSA-N
-rxn:4:185321:227749,CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)c(-c3cc(F)cc(C(F)(F)F)c3)c2)CC1,RCPZFDQJZLEDLK-UHFFFAOYSA-N
-rxn:4:185358:225545,CC(C)COC(=O)c1ccccc1-c1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1F,DTBQWFCDMNCNFN-UHFFFAOYSA-N
-rxn:4:185402:227586,CCCOc1ccc(-c2c(Cl)ccc(OCC)c2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,XSMAZNMUIKRDBO-UHFFFAOYSA-N
-rxn:4:185404:224684,CC(C)(C)OC(=O)N1CCC(c2cc(C3CC3)ccc2-c2ccc(C(=O)N3CCC(=O)CC3)cc2)C1,GVNAVPJOKIWVEP-UHFFFAOYSA-N
-rxn:4:185409:223858,COc1cc2c(cc1-c1cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)C3)c1)-c1ccccc1C2(C)C,FVQRZEDGQQERFE-UHFFFAOYSA-N
-rxn:4:185411:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C2CC2)C1,KSPUPPKGLDDMDS-UHFFFAOYSA-N
-rxn:4:185421:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cc1C1CC1,ACHZWJDYOKNCSD-UHFFFAOYSA-N
-rxn:4:185428:223768,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2cn(C(=O)OC(C)(C)C)c3cc(C#N)ccc23)CC1,KRGGHEDWFKKZAK-UHFFFAOYSA-N
-rxn:4:185436:225199,COc1cc(C)c(-c2cc(F)c(OC3CCCC3)c(F)c2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,DBHBGEJRKRKZLV-UHFFFAOYSA-N
-rxn:4:185439:227982,COc1cc(C)cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1C,WRRDTZYTWHACRH-UHFFFAOYSA-N
-rxn:4:185440:223274,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(Cl)c1,VGPWNUNJJHNNLH-UHFFFAOYSA-N
-rxn:4:185442:227142,COc1ccc2sc(-c3cc(C4COC4)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cc2c1,NXFPTRNHHRJDQP-UHFFFAOYSA-N
-rxn:4:185574:224687,COc1cc(CN2CCc3c(cccc3-c3cc(F)cc(CN4CCC(=O)CC4)c3)C2)cc(OC)c1OC,HPMHBIYTTIERCK-UHFFFAOYSA-N
-rxn:4:185578:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(-c4c(C(F)(F)F)oc5cc(OC(=O)N6CCOCC6)ccc5c4=O)cc3)cc2C1,PKGDYJIZWCCXKF-UHFFFAOYSA-N
-rxn:4:185613:224605,CCN(CC)C(=O)c1ccc(-c2cc(CCC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)ccc2OC)c(OC)c1,PUVLNZZLJFIXRF-UHFFFAOYSA-N
-rxn:4:185614:223818,COc1ccc(CCC(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1-c1c(F)cc(F)c2c1ccn2C(=O)OC(C)(C)C,WOXYUJOJPZIKGY-UHFFFAOYSA-N
-rxn:4:185798:223491,CCOC(=O)c1cc(C#N)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,QNECGGQOUSZAOP-UHFFFAOYSA-N
-rxn:4:185864:223527,COC(=O)c1cc(C#N)c(C(F)F)cc1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,GGXSZHRPQAFFCW-UHFFFAOYSA-N
-rxn:4:185904:223998,COC(=O)c1c(C#N)cc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,OHZDXYLFIOGOSI-UHFFFAOYSA-N
-rxn:4:185936:223823,CCOC(=O)Cc1nc(C)sc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,ANMMZQHLCUUHPC-UHFFFAOYSA-N
-rxn:4:186048:223895,CCOC(=O)c1ccnc(C(F)(F)F)c1-c1ccc(OCCN2CCN(CC)CC2)cc1,BTSSGGMEINDOKX-UHFFFAOYSA-N
-rxn:4:186327:223671,CCOC(=O)c1cnc(C2CC2)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XHPSHQUZINRSES-UHFFFAOYSA-N
-rxn:4:186338:223526,CCOC(=O)C1(c2cncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,KNYVOPAIEUBOCE-UHFFFAOYSA-N
-rxn:4:186538:223606,O=[N+]([O-])c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1-c1ccc(OC(F)(F)F)cc1,DLIOVGMGHYAAQB-UHFFFAOYSA-N
-rxn:4:186665:223559,COC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2C#N)cc1,NZUDZBPNKIXYRR-UHFFFAOYSA-N
-rxn:4:186669:223687,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1OCCN(C)C,FKZBVMGDGCHBOC-UHFFFAOYSA-N
-rxn:4:186709:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CC(C(=O)OC)C4)cc3Cl)c(F)c2)CC1,NZMOQBOKNKYQLC-UHFFFAOYSA-N
-rxn:4:186710:222538,COC(=O)C1CN(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2Cl)C1,BGGQTDWQBQLWIN-UHFFFAOYSA-N
-rxn:4:186814:224853,CC1(C)CCC(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)cc2)CC1,IRXUDWLFOLHGPU-UHFFFAOYSA-N
-rxn:4:186861:223889,Cc1cc(CN(C)C(=O)C2CC2)cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c1,LBAFLEAZENAUQT-UHFFFAOYSA-N
-rxn:4:186864:223582,CCN(C)C(=O)C1(c2ccc(-c3cc4ccc(C(=O)OC)cc4n3C(=O)OC(C)(C)C)cc2)CC1,KFCCLCUNHQUXFT-UHFFFAOYSA-N
-rxn:4:187026:225638,CC1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC(=O)CC4)c3)cn2)CC1,MSGPFNGLQIGHHZ-UHFFFAOYSA-N
-rxn:4:187027:226277,CC(C)(C)COc1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)cn1,OKYIZOPLYVTWBO-UHFFFAOYSA-N
-rxn:4:187061:222718,Cc1ccc(OCC(=O)N2CCOCC2)c(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c1,CJRHRELHLCALBH-UHFFFAOYSA-N
-rxn:4:187081:222514,COc1ccc(-c2cc([N+](=O)[O-])cc(F)c2OCC2CCCCC2)cc1S(=O)(=O)NC1CCCCC1,PACBXUIKZXMBPS-UHFFFAOYSA-N
-rxn:4:187123:224752,CCOc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)ccc1S(=O)(=O)N1CCOCC1,NKNFIFFIRDEBFQ-UHFFFAOYSA-N
-rxn:4:187153:224573,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)c(C#N)c1,SFYWRHKVDYMBKA-UHFFFAOYSA-N
-rxn:4:187191:222624,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1,BGZRIDLREJZVAR-UHFFFAOYSA-N
-rxn:4:187210:224061,CCCC1CCC(c2ccc(-c3ccc(F)cc3CN3CCC(C(=O)OC)CC3)c(F)c2)CC1,VNCUSYMNSGYBDW-UHFFFAOYSA-N
-rxn:4:187253:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(CCN2CCC(C(F)(F)F)CC2)ccc1F,XIWVLKMVPUADPR-UHFFFAOYSA-N
-rxn:4:187276:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)cc2)CC1,MOEYDLXOHPLMMZ-WGSAOQKQSA-N
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-rxn:4:187284:223813,COCC1CCN(Cc2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,JOEHNYCEQDSPEJ-UHFFFAOYSA-N
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-rxn:4:187425:225035,COC(=O)c1ccc(-c2cc(F)ccc2OC2CCCCC2)cc1CN1CCC(C)CC1,CAUGBNHPDRZQEH-UHFFFAOYSA-N
-rxn:4:187426:224868,COC(=O)c1cc(-c2cccc(OCC3CCCCC3)c2)ccc1CN1CCC(C)CC1,UMYBVWUMSDNTDW-UHFFFAOYSA-N
-rxn:4:187427:223974,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)cc2C(F)(F)F)ccc1CN1CCCC(C)C1,LXTKSBRMOPQNMB-UHFFFAOYSA-N
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-rxn:4:187479:224773,CCOc1cccc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)c1CN1CCC(C)CC1,BGFCUPVWVYAXAW-UHFFFAOYSA-N
-rxn:4:187485:222999,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(Cl)cc(C2CCCNC2)c1,CEIFCIOADNPFHY-UHFFFAOYSA-N
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-rxn:4:187543:225000,COc1cc(-c2ccc(CN3CCCCC3)c(F)c2)cc(OC)c1CN1CCCC(C)C1,VJKMNXCKGLFGCI-UHFFFAOYSA-N
-rxn:4:187544:225043,COc1cc(-c2ccc(OC3CCCCC3)c(F)c2)cc(OC)c1CN1CCCCC1C,HSYQFEMTXKKAQD-UHFFFAOYSA-N
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-rxn:4:187597:223077,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,PHARHDREILTGHG-UHFFFAOYSA-N
-rxn:4:187643:226278,Cc1nc(OCC(C)C)ccc1-c1ccccc1CCC(=O)N1CCC2(CC1)OCCCO2,AWMULURLKFWGEE-UHFFFAOYSA-N
-rxn:4:187648:222886,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccc(N4CCNCC4)cc3C#N)cc2)C1=O,ZZLPYLZIIOIIOX-UHFFFAOYSA-N
-rxn:4:187669:224425,CCCC1CCC(c2ccccc2-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,UEOUALYZDGNQDW-UHFFFAOYSA-N
-rxn:4:187671:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(CN2CCC(C(F)(F)F)CC2)cc(C(C)(C)C)c1,QCAKDMHXAOEIIY-UHFFFAOYSA-N
-rxn:4:187677:227069,COc1ccc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)c(C(C)C)c1,JCBYOKBRNDRLNW-UHFFFAOYSA-N
-rxn:4:187804:223687,CCN(CC)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c2ccccc12,CTOYASFPUVLXNC-UHFFFAOYSA-N
-rxn:4:187808:223772,COCCCN1Cc2cc(-c3cc4ccc(OC)cc4n3C(=O)OC(C)(C)C)ccc2OCC1=O,FUMXLMOESASGQF-UHFFFAOYSA-N
-rxn:4:187821:224992,CC(C)(C)OC(=O)CN1Cc2c(cccc2-c2ccccc2CN2CCC(=O)CC2)C1=O,UUIZWMFTBCXOES-UHFFFAOYSA-N
-rxn:4:187902:223992,COc1cc(S(=O)(=O)N2CCc3ccccc32)c(OC)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,QWHIWWYJXIFUQE-UHFFFAOYSA-N
-rxn:4:187906:223539,COc1ccc(-c2ccccc2C(=O)Oc2ccc3c(c2)OC(=Cc2cccnc2)C3=O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,RHOWDTYCTVEJDR-UHFFFAOYSA-N
-rxn:4:187916:222998,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)cc(C2CCCNC2)c1,DWMHBKFGPKTBIW-UHFFFAOYSA-N
-rxn:4:187916:225035,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)ccc1OC1CCCCC1,UKBCODCEPAVTMI-UHFFFAOYSA-N
-rxn:4:187916:226382,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cnc(C2CCCCC2)nc1,NNPMMPXODMLADI-UHFFFAOYSA-N
-rxn:4:187920:223829,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1C,SHGOWSJMKNTLRO-UHFFFAOYSA-N
-rxn:4:187945:225446,COC(=O)C1=Cc2cc(-c3cc(C)cc(OC4CCCC4)c3)ccc2N(CC(C)C)CCC1,WMUFSQSEMRIBSB-UHFFFAOYSA-N
-rxn:4:187948:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)cc3C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c(F)c2)CC1,MXNHBLFPMUUVSX-ZEPFLKCGSA-N
-rxn:4:187948:224298,COc1ccc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,MVRXLIRLPCBSQQ-UHFFFAOYSA-N
-rxn:4:187961:224624,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(Cl)ccc3C(=O)OCC(C)(C)C)cc1)CC(C)(C)CC2=O,BRVGSKDAWSPLGK-UHFFFAOYSA-N
-rxn:4:187964:224399,COc1ccc(C2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1-c1ccc(N2CCOCC2)cc1C(F)(F)F,SDWKOFUUGJXMEI-UHFFFAOYSA-N
-rxn:4:187968:222545,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)ccc21,LLSFDLROECUTGS-UHFFFAOYSA-N
-rxn:4:187968:222636,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)ccc21,IDUQITWTUCBKOD-HSZRJFAPSA-N
-rxn:4:187990:225756,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2cc(C(=O)OC)ncc2C(C)C)cc1,FWXFDQPIWYFEOQ-UHFFFAOYSA-N
-rxn:4:187995:224899,CCc1cc(-c2ccc(-c3ccccc3OC)cc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,XETQLVGLWSZNSR-UHFFFAOYSA-N
-rxn:4:188259:223502,COC(=O)c1cc(F)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1C#N,IJNNKLPZZQCPMH-UHFFFAOYSA-N
-rxn:4:188683:223996,CN1CCN(c2ccc(-c3ccc(S(N)(=O)=O)c(OC(F)(F)F)c3)c(C(F)(F)F)c2)CC1,AENGMFPBJVXETI-UHFFFAOYSA-N
-rxn:4:188854:223559,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(OC)nc1OC,CEJZOGNDZXRLLQ-UHFFFAOYSA-N
-rxn:4:188985:223492,CCOc1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,AOJOXIOPKVTPBA-UHFFFAOYSA-N
-rxn:4:189293:223559,CON(C)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C)c1,MPGSENKXQXBZNQ-UHFFFAOYSA-N
-rxn:4:189424:222522,COc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,FGOXIQNWZMTFHW-UHFFFAOYSA-N
-rxn:4:189445:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4CCC4)nc3C(=O)OC)c(F)c2)CC1,VYCPKFWRZSAVQK-UHFFFAOYSA-N
-rxn:4:189507:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,VSNQSSYSBSWLET-UHFFFAOYSA-N
-rxn:4:189789:223847,CCCCCC1CCC(c2ccc(-c3nccc(C4CCCC4)c3C(=O)OC)cc2)CC1,PKJMZPOPPFEBOV-UHFFFAOYSA-N
-rxn:4:189799:223985,COc1ccc(-c2ccc(S(=O)(=O)N(C)C3CC3)cc2C)cc1S(=O)(=O)N1CCCCC1,GTDUBTQGMHALDA-UHFFFAOYSA-N
-rxn:4:189824:223847,CCCCCC1CCC(c2ccc(-c3ccc(C4CCCC4)nc3C(=O)OC)cc2)CC1,UQNXCRIGZYOASM-UHFFFAOYSA-N
-rxn:4:189847:222740,CC(=O)N(c1ccc(-c2cc(C(C)C)nc(C3CCCNC3)c2)cc1)C1C=CS(=O)(=O)C1,ZIMPIKZHOIHRCE-UHFFFAOYSA-N
-rxn:4:189867:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,TWUCRXJJHAYPNK-UHFFFAOYSA-N
-rxn:4:189938:222723,COC1CCN(S(=O)(=O)c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)C1,PJBHOAZRICZHOB-UHFFFAOYSA-N
-rxn:4:190010:222776,C#CC1CCN(S(=O)(=O)c2cccc(-c3ccc(CN4CCC(O)CC4)cc3F)c2)CC1,RFYOKTVDQJOHOM-UHFFFAOYSA-N
-rxn:4:190058:222944,O=C(Cc1ccc(F)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1F)N1CCC(F)(F)CC1,VCHMLXQLWPQMIR-UHFFFAOYSA-N
-rxn:4:190058:224458,CC1CCN(C(C)c2ccc(-c3cc(F)ccc3CC(=O)N3CCC(F)(F)CC3)cc2)CC1,RVRRLHLZFVHKKL-UHFFFAOYSA-N
-rxn:4:190058:225276,CCCOc1cc(-c2cc(F)ccc2CC(=O)N2CCC(F)(F)CC2)ccc1C(F)(F)F,FDCDKAWDSZBPIN-UHFFFAOYSA-N
-rxn:4:190076:223766,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2F)cc2cc(C#N)ccc21,LBWCAQNPDCJGRD-UHFFFAOYSA-N
-rxn:4:190145:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(F)cc2CCN2CCCC(F)(F)C2)c(F)cc1C,HWAIEDLVGDRLJT-UHFFFAOYSA-N
-rxn:4:190150:225201,O=[N+]([O-])c1ccc(-c2ccc(OC3CCCC3)c(F)c2F)cc1S(=O)(=O)C1CCCCC1,AJHHVLQKQZGKAH-UHFFFAOYSA-N
-rxn:4:190171:226270,CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2-c2cccc(C=C(C#N)C#N)c2)C(=O)O1,PPLRBAKNMTXPIV-UHFFFAOYSA-N
-rxn:4:190201:223712,COc1ccc(-c2ccc(Cl)c(CCN3CCOC(C)C3)c2)cc1C12CC3CC(CC(C3)C1)C2,SVFFFVVUQUECRD-UHFFFAOYSA-N
-rxn:4:190228:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)C2CC2)cc1,GRAGEPFTFIVCDB-UHFFFAOYSA-N
-rxn:4:190239:222439,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)o1)N1CC=C(c2ccccc2)CC1,VXCSZOGVHGABBZ-UHFFFAOYSA-N
-rxn:4:190251:224366,O=C(Cc1ccc(-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)cc1)N1CCCCCC1,KAMQPPKZRQVDSA-UHFFFAOYSA-N
-rxn:4:190300:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)c(C=C4SC(=S)N(c5ccc(F)cc5)C4=O)c3)c(F)c2)CC1,GNVWUGPVWFFLQC-UHFFFAOYSA-N
-rxn:4:190336:224656,COc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(Cl)c2OC)c(F)c1OC1CCCC1,SXHLADVZGUSGQM-UHFFFAOYSA-N
-rxn:4:190356:225296,O=C(c1ccc(C(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)N1CCC2(CC1)CC2,RQPDHWJRMLDFCU-UHFFFAOYSA-N
-rxn:4:190363:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(CN2CCC(C)CC2)c1,XLVQUPKFGBBNFK-UHFFFAOYSA-N
-rxn:4:190376:225341,CCOc1ccc(OC(F)(F)F)c(-c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c1,SLQBCVCCWVDWTR-UHFFFAOYSA-N
-rxn:4:190425:222442,Cc1cc(S(=O)(=O)N2CCCC2)c(C(C)C)cc1-c1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12,XNPFJFZCKGUTNM-UHFFFAOYSA-N
-rxn:4:190431:223529,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(C(=O)N2CCC3(CC2)OCCS3)c1,BYVRAIURKXQBNQ-UHFFFAOYSA-N
-rxn:4:190446:223891,Cc1cc(N2CCCC(C(=O)C(C)C)C2=O)ccc1-c1c(F)ccc2c1ccn2[Si](C)(C)C(C)(C)C,IDEKELQXOFIWQP-UHFFFAOYSA-N
-rxn:4:190449:223101,CNS(=O)(=O)c1cc(-c2ccc(C3CCCN3C(=O)C3CCOCC3)cc2)ccc1OC,ZSBOPIISTHHXGH-UHFFFAOYSA-N
-rxn:4:190463:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C)c(S(=O)(=O)N2CC(C)OC(C)C2)cc1OC,DCMKDSLEYPPHQB-UHFFFAOYSA-N
-rxn:4:190486:222855,COc1cc(-c2ccc(C3CCCN3CC3CCCCC3)cc2)cc(C2CCCNC2)c1,KNSXJAXAOJZZAZ-UHFFFAOYSA-N
-rxn:4:190496:224930,CCN(CC)Cc1cc(-c2cc(CN3CCC(C)CC3)cc(C(C)(C)C)c2)ccc1OC,CYUGWQVCRUZERV-UHFFFAOYSA-N
-rxn:4:190522:223497,CCOC(=O)c1cc2ccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)nc2s1,RTGIOFKVSVRRAM-UHFFFAOYSA-N
-rxn:4:190661:223831,COC(=O)c1c(C(F)(F)F)nc2ccccc2c1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,UKPJUWFGOUGSKM-UHFFFAOYSA-N
-rxn:4:190663:223888,CCOC(=O)C1CCc2nc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)sc2C1,ULVRDKSAPISZPN-UHFFFAOYSA-N
-rxn:4:190678:223687,CCOC(=O)C1C=Nc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc2C1=O,KJZUEUUFDOEKJY-UHFFFAOYSA-N
-rxn:4:190834:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3c(c2)CN(C(=O)OC(C)(C)C)C3=O)c1,CSOPCIDZIRVYMD-UHFFFAOYSA-N
-rxn:4:190851:222648,Cc1cc(C)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1NC(=O)OC(C)(C)C,OUEUZPUQQRQOOO-UHFFFAOYSA-N
-rxn:4:190869:222782,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)cnc1NC(=O)OC(C)(C)C,CUMFOKAFNPRUKV-UHFFFAOYSA-N
-rxn:4:190972:223227,CC(NC1CC1)c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)s1,QYASBDSIJXIQGY-UHFFFAOYSA-N
-rxn:4:190972:225005,CC(c1cccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)c1)N1CCOCC1,AAYWGMIZYQSROP-UHFFFAOYSA-N
-rxn:4:190989:224022,COC(=O)c1cc2c(c(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c1)N(C(C)C)CCCO2,AESRZGTXGBKSAM-UHFFFAOYSA-N
-rxn:4:191005:223847,CCCCCC1CCC(c2ccc(-c3[nH]c4cc(C(=O)OC)ccc4c3C3CCCCC3)cc2)CC1,ZGUIWYGEAOTFIL-UHFFFAOYSA-N
-rxn:4:191032:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1cc2c(s1)C(C)(C)N(C(=O)OC(C)(C)C)CC2,YAWOOJQBUPKLAR-UHFFFAOYSA-N
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-rxn:4:202059:223951,CN1CCN(CCOc2ccc(-c3cccnc3OC3CCN(C(=O)c4c(F)cccc4F)CC3)cc2F)CC1,NGXITOISBHPSSR-UHFFFAOYSA-N
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-rxn:4:202250:224326,Cc1cc(-c2ccc(C(=O)c3ccccc3CN3CCN(C)CC3)cc2F)ccc1S(=O)(=O)N1CCCCC1,IWUNJGPLTRJAJC-UHFFFAOYSA-N
-rxn:4:202271:225074,COc1cccc2c(-c3ccccc3CN3CCCC(C(=O)N4CCOCC4)C3)c(C(C)C)nn12,PAGBMIBRQDPPJZ-UHFFFAOYSA-N
-rxn:4:202273:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(CN2CCCC(C(=O)N3CCSCC3)C2)c1,VGUWWSHXLJKKAC-UHFFFAOYSA-N
-rxn:4:202284:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1CN1CCC(N2CCCC2)CC1,GDWWCAOCIRRVOP-UHFFFAOYSA-N
-rxn:4:202284:226323,COc1ccc(-c2ccc(OC3CCCC3)nc2)cc1CN1CCC(N2CCCC2)CC1,BHGHENLEICLNNM-UHFFFAOYSA-N
-rxn:4:202284:226426,COc1ccc(-c2ccc(N3CCC(C)CC3)s2)cc1CN1CCC(N2CCCC2)CC1,KPTDHMRUEOXKOK-UHFFFAOYSA-N
-rxn:4:202285:223006,COC1CCN(Cc2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2N2CCCC2)CC1,PXWXPSKPTPVKDN-UHFFFAOYSA-N
-rxn:4:202285:225809,COC1CCN(Cc2ccc(-c3cc(F)ccc3OC3CCOC3)cc2N2CCCC2)CC1,YCYHLVIYPCGBTR-UHFFFAOYSA-N
-rxn:4:202285:226182,COC1CCN(Cc2ccc(-c3cccnc3C3CCCCC3)cc2N2CCCC2)CC1,FSCTWJIYBKTUEN-UHFFFAOYSA-N
-rxn:4:202285:226419,COC1CCN(Cc2ccc(-c3ccc(N4CCCC4)cc3Cl)cc2N2CCCC2)CC1,JOYYNHKRDLFVKE-UHFFFAOYSA-N
-rxn:4:202287:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccccc1C(=O)N1CCCSCC1CN1CCOCC1,IFBCCUSSUWBYRQ-UHFFFAOYSA-N
-rxn:4:202288:228414,COc1cc(-c2cccc(C(=O)N3CCCSCC3CN3CCOCC3)c2)cc(Cl)c1F,AOMYTOQMYYDBRW-UHFFFAOYSA-N
-rxn:4:202309:227710,CN(Cc1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1N1CCOCC1)C1CCOCC1,AFNITLBSXLCOPE-UHFFFAOYSA-N
-rxn:4:202310:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,WILRVEAHWGTOAM-UHFFFAOYSA-N
-rxn:4:202310:223012,COC(=O)c1cc2cc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)ccc2[nH]1,JBWUMDYJQIHJBC-UHFFFAOYSA-N
-rxn:4:202311:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)CC1,LBSRJBJOMRLHSE-UHFFFAOYSA-N
-rxn:4:202324:224396,Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,ZJPIIXLRRIYMAM-UHFFFAOYSA-N
-rxn:4:202328:222420,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccccc3S(N)(=O)=O)CC2)CC1,CGPSBIRXDIENTF-UHFFFAOYSA-N
-rxn:4:202328:225521,CCCCOc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)ccc1OC,VRXNUFJVISLYSM-UHFFFAOYSA-N
-rxn:4:202347:223346,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4ccc5c(c4)CNC5=O)c2)CC3)cc1,MEZYYFOLQWQDDZ-UHFFFAOYSA-N
-rxn:4:202348:224000,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cnc(-c4cccc(C(F)(F)F)c4)c(Cl)c2)CC3)cc1,QGLXSYPVIUITAA-UHFFFAOYSA-N
-rxn:4:202351:227447,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4c(F)ccc(C5CC5)c4F)cc2)CC3)ccc1F,KFHAZTALJRQDTK-UHFFFAOYSA-N
-rxn:4:202352:224198,CCN1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)c(F)c2)CC1,GCQSJBPIUWXXEQ-UHFFFAOYSA-N
-rxn:4:202395:223946,CCOC(=O)c1nc2c(Cl)cc(C(F)(F)F)cn2c1-c1ccc(N(CC)C(=O)OC(C)(C)C)cc1Cl,SVOIRUYEKNTKOY-UHFFFAOYSA-N
-rxn:4:202454:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cn(C(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc12,FRGOCXKKXTVSKB-UHFFFAOYSA-N
-rxn:4:202520:226313,CCOC(=O)c1cccc(-c2ccc([N+](=O)[O-])c3c2CN(C(=O)OC(C)(C)C)CC3)c1C,SZLYBHBVHDEQFR-UHFFFAOYSA-N
-rxn:4:202526:225748,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccncc2OCC2CCCO2)cc1,ROFMULFINIWXKW-UHFFFAOYSA-N
-rxn:4:202603:222949,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccccc3-c3cc4[nH]ncc4cc3OC(F)(F)F)N2C1=O,LBQRKEDPHQFCIY-UHFFFAOYSA-N
-rxn:4:202604:224774,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2ccc(N3CCCC3)c(C(F)(F)F)c2)cc1,LYSFXJRNKOJMRJ-UHFFFAOYSA-N
-rxn:4:202620:222758,Cc1cc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)ccc1NC(=O)OC(C)(C)C,VJAJLTPYVMSLPP-UHFFFAOYSA-N
-rxn:4:202662:225953,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3cnc(-n4cc(C)cn4)cc3F)c2)N2C(=O)C(C)SC2=N1,NGFSKDPPMLSXHW-UHFFFAOYSA-N
-rxn:4:202675:223911,CCOC(=O)C1(c2ccc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)cc2)CCOCC1,BKIVWKQWEQXFAF-UHFFFAOYSA-N
-rxn:4:202676:224720,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc21,DWSGTXRHARJFCF-UHFFFAOYSA-N
-rxn:4:202677:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)CC1,QZSZDZGKCGAYFM-UHFFFAOYSA-N
-rxn:4:202678:223911,CCOC(=O)C1(c2ccc(-c3cc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)cn3)cc2)CCOCC1,PMGTXMUOOACYEN-UHFFFAOYSA-N
-rxn:4:202703:224651,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3c(F)cccc3O[Si](C)(C)C(C)(C)C)ccc21,NFQIQMDUUKUEFZ-UHFFFAOYSA-N
-rxn:4:202711:223075,C[C@H]1CC[C@H](c2ccc3sc(-c4ccc(NS(=O)(=O)C5CC5)cc4)nc3c2)N(C(=O)OC(C)(C)C)C1,YAPHRSWAMNLANE-GAJHUEQPSA-N
-rxn:4:202712:223609,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4cc5c(c6ccccc46)-c4ccccc4C5(C)C)ccc3C2=O)C1,WYHNSDDDEJUUKO-VWLOTQADSA-N
-rxn:4:202723:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4c(C(=O)N5CCCCC5)cnc5ccc(Cl)cc45)cc3)cc2)CC1,UGDORIVFZZVVKE-UHFFFAOYSA-N
-rxn:4:202723:225312,CN1CCCN(c2ncc(-c3ccc(S(=O)(=O)c4c(C(=O)N5CCCCC5)cnc5ccc(Cl)cc45)cc3)cn2)CC1,WWQMTILAJGFONV-UHFFFAOYSA-N
-rxn:4:202734:224931,CCN(CC)c1cc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)cc(C2CC2)n1,BQUMBOOYZUKMOH-UHFFFAOYSA-N
-rxn:4:202814:224966,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCC5CCOCC5)cc4)ccc2OC3c2ccc(Cl)cc2)cc1,NJNOGGJEGFGUDU-UHFFFAOYSA-N
-rxn:4:203002:223493,CCOC(=O)c1cn(C)nc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,ODYNZIBZBSLZQH-UHFFFAOYSA-N
-rxn:4:203311:223480,Cc1cc(-c2cc([N+](=O)[O-])ccc2C(=O)N2CCC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZDPAZFBGRQDRPR-UHFFFAOYSA-N
-rxn:4:203443:223813,COC(=O)C(C)n1nc(C)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1C,GOTUXZBHJSFPLV-UHFFFAOYSA-N
-rxn:4:203544:224738,O=C(c1ccc([N+](=O)[O-])cc1-c1cc(OCC2CC2)cc(C(F)(F)F)c1)N1CCC(F)(F)C1,QPFPDLOOQRKEKR-UHFFFAOYSA-N
-rxn:4:203549:222514,COc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)n3ccnc3C)c2)cc1S(=O)(=O)NC1CCCCC1,BOEXBWMXCCBEEH-UHFFFAOYSA-N
-rxn:4:203564:224187,COC(=O)c1cnn(C2CCCCO2)c1-c1ccc(OCCN2CCCCC2)cc1F,CJBFFGUDAUKVCY-UHFFFAOYSA-N
-rxn:4:203630:222538,CCCc1nc(N2CCOCC2)sc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,PAEHABAACRGRHS-UHFFFAOYSA-N
-rxn:4:203633:223960,CCN1CCN(C(=O)c2cc(-c3cc(CN4CCOCC4)cc([N+](=O)[O-])c3)ccc2F)CC1,VCOMWSGPYGMROI-UHFFFAOYSA-N
-rxn:4:203668:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccnc3OC3COCC3N(C)C)cc2F)CC1,MPGMWOCDFYMODI-UHFFFAOYSA-N
-rxn:4:203686:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cncc(CC(=O)N3CCCC(F)(F)C3)c2)cc1,WULPYVGCLUUMEF-UHFFFAOYSA-N
-rxn:4:203708:225833,O=C(c1ccccc1-c1ccnc(N2CCCCC2)c1F)N1CC(N2C(=O)COC2=O)C1,QCLTWHKUUIJYDB-UHFFFAOYSA-N
-rxn:4:203709:223048,O=C(NC1CC1)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1F,CBIXWNRGVMZNEZ-UHFFFAOYSA-N
-rxn:4:203724:222542,Cc1ccc(-c2ccc(S(=O)(=O)NN3CCCCC3)cc2)cc1OCCCN1CCNCC1,PFOITDOENISDLP-UHFFFAOYSA-N
-rxn:4:203757:224770,Cc1cc(-c2cncc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,WBYIMHFPAISJAC-UHFFFAOYSA-N
-rxn:4:203868:223755,CCN1CCN(Cc2cc(F)cc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)c2)CC1,BQVWEXZHFRCKSA-UHFFFAOYSA-N
-rxn:4:203874:222466,CN1CCN(CCc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(F)c2)CC1,MGWSWCRQKFXOKS-UHFFFAOYSA-N
-rxn:4:203895:222389,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)CC1,KWUCTLZCKYOBPH-UHFFFAOYSA-N
-rxn:4:203905:222612,CCN1CCN(c2cc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc(C(F)(F)F)c2)CC1,IOOKOYJKTLXALD-UHFFFAOYSA-N
-rxn:4:203905:225051,CCN1CCN(c2cc(-c3cc(F)cc(N4CCCC(C)C4)c3)cc(C(F)(F)F)c2)CC1,UNURCMZVUBUPMS-UHFFFAOYSA-N
-rxn:4:203934:224404,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,CHFNWNCHHAHOGY-UHFFFAOYSA-N
-rxn:4:203954:224596,COc1cc(N2CCCCC2C)ccc1-c1cnccc1OC1CCN(C2CCCC2)C1,XIHHYQZDTLZXQJ-UHFFFAOYSA-N
-rxn:4:203987:223342,O=C(c1cc(-c2ccc3c(c2)OCCN3)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,OTXPOUVXNIXYQO-UHFFFAOYSA-N
-rxn:4:203992:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)cc1,LJLMVNIWBAGOIE-UHFFFAOYSA-N
-rxn:4:204015:225051,CCN1CCN(S(=O)(=O)c2cc(-c3cc(F)cc(N4CCCC(C)C4)c3)ccc2C)CC1,DDYKRIIGDGNTKK-UHFFFAOYSA-N
-rxn:4:204030:224596,COc1cc(N2CCCCC2C)ccc1-c1cccc(N2CCN(S(=O)(=O)C(C)C)CC2)c1,XXSLHSPAYFAZJN-UHFFFAOYSA-N
-rxn:4:204031:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1N1CCN(S(=O)(=O)C(C)C)CC1,VKECEFCCIHAHEG-UHFFFAOYSA-N
-rxn:4:204037:222706,CN(C)C1CCN(c2ccc(C(F)(F)F)c(-c3cc(C4CCNCC4)ccc3C(F)(F)F)c2)CC1,WOGAMKARGNHIGH-UHFFFAOYSA-N
-rxn:4:204055:223174,CCS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)cc1,WVNCIPZABYMVDQ-UHFFFAOYSA-N
-rxn:4:204061:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(C(=O)N3CCSC(c4ccccc4F)CC3)c2)c1,ZYFOZKUITZZNQF-UHFFFAOYSA-N
-rxn:4:204065:225113,Cc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1cccc(C(=O)OOC(C)(C)C)c1,ZXVGTQLTIQGFSE-UHFFFAOYSA-N
-rxn:4:204100:226021,O=C(c1cccc(-c2cc(Cl)ccc2OCC(F)(F)F)c1)N1CCCN(C2CCC2)CC1,KUGOUQMKOXYMBE-UHFFFAOYSA-N
-rxn:4:204114:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)o1,LZHWCPZHBZYNAF-UHFFFAOYSA-N
-rxn:4:204148:222905,CC1CCCN(Cc2ccc(-c3cccnc3NC(=O)OC(C)(C)C)cc2N2CCCC2)C1,VMOGNDZDHWLDDB-UHFFFAOYSA-N
-rxn:4:204173:225201,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(OC2CCCC2)c(F)c1F,SGDUFVAMJDXAIA-UHFFFAOYSA-N
-rxn:4:204179:223835,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cc3C)CC2)cc1C,DMHGHHBSBLCFAO-UHFFFAOYSA-N
-rxn:4:204513:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc3c(c2)CCN3C(=O)OC(C)(C)C)c1,PMLNQDVJTPDWPK-UHFFFAOYSA-N
-rxn:4:204551:225054,COC(=O)C1C2CCC1CN(c1nc(-c3ccc(N4CCCCC4C)cc3Cl)cs1)C2,RZJWMUDVQOOMTR-UHFFFAOYSA-N
-rxn:4:204551:225607,COC(=O)C1C2CCC1CN(c1nc(-c3ccc(C(C)N4CCCCC4)s3)cs1)C2,NHKNCOKMWHSPAG-UHFFFAOYSA-N
-rxn:4:204552:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccnc3c2OCCN3C(=O)OC(C)(C)C)cc1,JWCGMXZRJNPGKR-UHFFFAOYSA-N
-rxn:4:204556:222675,COc1cc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)ccc1NC(=O)OC(C)(C)C,XALCKDNBIMPPBE-UHFFFAOYSA-N
-rxn:4:204601:223771,COc1ccc2c(c1)cc(-c1cnc3c(c1)CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,YCCLUZKDIJNESU-UHFFFAOYSA-N
-rxn:4:204615:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)c4cccnc4c3OC(=O)N3CCCCC3)c3ccccc23)CC1,WLTDMTAFNATPGK-UHFFFAOYSA-N
-rxn:4:204648:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)o1,DDXVARMYLDBREO-UHFFFAOYSA-N
-rxn:4:204695:222698,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c1,SDDPFVQNOFEEHT-UHFFFAOYSA-N
-rxn:4:204695:227955,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cc(C)cnc2C(C)C)c1,NEIWYACWONWCQE-UHFFFAOYSA-N
-rxn:4:204696:222729,CCCc1cc(-c2ccccc2C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc(C2CCCNC2)n1,WVIXCWQUDTYZBQ-UHFFFAOYSA-N
-rxn:4:204747:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(CN4CC5C(=O)N(c6ccccc6)C(=O)C5C4)c3)cc2)CC1,COJMHENZIWSFNH-UHFFFAOYSA-N
-rxn:4:204797:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccc(Cl)cc54)c3)cc2)CC1,PVNHAULHVWNHSI-UHFFFAOYSA-N
-rxn:4:204813:223093,CC(C)c1ccc(C2SCC3C(=O)N(c4ccc(-c5cncc(NS(=O)(=O)C(C)C)c5)cc4)C(=S)N32)cc1,IAIMXSBOELYSEC-UHFFFAOYSA-N
-rxn:4:204865:222853,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccc(CN5CCC(O)CC5)cc4)c3)c3ccccc3S2(=O)=O)CC1,VQIAZDKSZCJSHS-UHFFFAOYSA-N
-rxn:4:204884:223079,CC(C)NS(=O)(=O)c1cccc(-c2nc3c(s2)C2CCC(C3)N2C(=O)OC(C)(C)C)c1,OYNNFLLQFONKQJ-UHFFFAOYSA-N
-rxn:4:204955:223084,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)CC5)nc4)ccc2OC3C2CCCCC2)cc1,WLYDPEMWRGZKBE-UHFFFAOYSA-N
-rxn:4:204955:227501,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C=C[N+](=O)[O-])cc4)ccc2OC3C2CCCCC2)cc1,RRCDEZSZUJSKMV-UHFFFAOYSA-N
-rxn:4:205186:223602,COc1ncnc(C(F)(F)F)c1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,AJAGMEIPTCMRNV-UHFFFAOYSA-N
-rxn:4:205423:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3c(C4CC4)ncnc3C(F)(F)F)ccc2F)CC1,UVPHNAPSMPENOX-UHFFFAOYSA-N
-rxn:4:206036:223598,COc1nc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cn1C1CCCO1,ACWNCBPFFIWZIK-UHFFFAOYSA-N
-rxn:4:206214:223814,O=C(c1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1Cl)N1CCCC1,DUVYLQLCCMXKES-UHFFFAOYSA-N
-rxn:4:206250:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C#N)ccc3N3CCC(F)(F)C3)ccc2C)CC1,QAUAJARFUPNMMA-UHFFFAOYSA-N
-rxn:4:206358:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cn(C4CCCCO4)nc3C(F)F)c2)CC1,QELVJFSWCVBWDN-UHFFFAOYSA-N
-rxn:4:206446:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(C(=O)N4CCSCC4)c(Cl)c3)c(F)cn2)CC1,HGOLWIHGBZTMJQ-UHFFFAOYSA-N
-rxn:4:206454:222612,O=[N+]([O-])c1c(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cccc1N1CCC(F)(F)C1,NHNWJZCPNFDMMM-UHFFFAOYSA-N
-rxn:4:206525:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)nc1,BUFKXEOWHTVHEC-UHFFFAOYSA-N
-rxn:4:206581:223992,Cc1ccc(-c2nc(C(=O)N3CCC(C)CC3)cs2)cc1S(=O)(=O)N1CCN(C)CC1,NXHHHCIJLUQVJV-UHFFFAOYSA-N
-rxn:4:206616:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(C(=O)N3CCCCC3)c(F)c2)CC1,HSHNMRGMGAZUEJ-UHFFFAOYSA-N
-rxn:4:206716:223602,Cc1nc(C(=O)N2CCOCC2)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,SBYVTQJVTFOQCY-UHFFFAOYSA-N
-rxn:4:206761:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(F)c3)c2)CC1,LRQAKTWIOBQGJV-UHFFFAOYSA-N
-rxn:4:206771:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cc(C(F)(F)F)cnc2N2CCC(F)(F)CC2)c1,XAZXAVDHJAYJRV-UHFFFAOYSA-N
-rxn:4:206777:223712,COc1ccc(-c2cccc(N3CCC(OC)CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,IYKITDFWRAPCQB-UHFFFAOYSA-N
-rxn:4:206793:224407,NS(=O)(=O)c1ccc(N2CCOCC2)c(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)c1,VUEXBFLPIIDXLI-UHFFFAOYSA-N
-rxn:4:206858:223598,CC1CCCN(c2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc2C#N)C1,IQPSAFVJIXVVGS-UHFFFAOYSA-N
-rxn:4:206897:222537,CC(C)c1nc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cn1C1CCCOC1,WPKHLGLHZPZJHO-UHFFFAOYSA-N
-rxn:4:206908:223839,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)CC1,PQRTZTPQWXSSMK-UHFFFAOYSA-N
-rxn:4:206934:223985,COc1ccc(-c2cccc(CN3CCN(C)CC3)c2F)cc1S(=O)(=O)N1CCCCC1,IPEXXAFJILAMAA-UHFFFAOYSA-N
-rxn:4:206936:224246,Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)c(F)c1,KMZDFKKENSRRPL-UHFFFAOYSA-N
-rxn:4:206946:222432,CS(=O)(=O)N1CCCC(c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)n2)C1,PXYSFRRWTONAEG-UHFFFAOYSA-N
-rxn:4:206960:222622,CCC(C)c1cc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc(C2CCCNC2)n1,YGEZWVBHOZQUFE-UHFFFAOYSA-N
-rxn:4:206990:224064,CC1CCCCN1c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc(C2CC2)c1,VKRYHIKBRALSAH-UHFFFAOYSA-N
-rxn:4:207056:224664,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2cc(F)cc(CN3CCN(C)CC3)c2)CC1,ZFVPRVGTBJKEOB-UHFFFAOYSA-N
-rxn:4:207315:222466,COC(=O)c1nc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)n2c1COCC2,KCFWKRWOFCKOHH-UHFFFAOYSA-N
-rxn:4:207396:223598,COC(=O)C1CCn2c(cnc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)C1,BQRCTMIROURYMA-UHFFFAOYSA-N
-rxn:4:207401:222466,COC(=O)c1c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)nc2n1CCCC2,WSLRDTGDVVVNBX-UHFFFAOYSA-N
-rxn:4:207712:223748,COc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc2c1cnn2C1CCCCO1,MXQXFRZBMGCPIJ-UHFFFAOYSA-N
-rxn:4:207759:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(Cl)c2)cc1,AZANUUPWICHMIS-UHFFFAOYSA-N
-rxn:4:207779:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)NC1CCCC1,AKPLPDFGTUXNJZ-UHFFFAOYSA-N
-rxn:4:207815:223969,Cc1cc2c(c(C)nn2C2CCCCO2)c(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)c1C(F)(F)F,YNXUEIFPNFIWSF-UHFFFAOYSA-N
-rxn:4:207843:222856,CCN1CCN(C2CCCc3cc(-c4cc(C5CCNCC5)ccc4OC)ccc32)CC1,AQRYYBYKUNRWHM-UHFFFAOYSA-N
-rxn:4:207856:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,LNMYPPAGOONVMV-UHFFFAOYSA-N
-rxn:4:207959:223139,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCNCC5)nc4)ccc2OC3C2CCCCC2)cc1,PFGHKNXNFVMQMC-UHFFFAOYSA-N
-rxn:4:207959:226177,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C5CCCCC5)c4)ccc2OC3C2CCCCC2)cc1,KPGPIEGASDHHSM-UHFFFAOYSA-N
-rxn:4:207965:225445,COc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4OC4CCCCC4)ccc2OC32CCC(C)CC2)cc1,IVJJDZHTXFJFTK-UHFFFAOYSA-N
-rxn:4:209448:223660,Cc1nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1C1CCOC1,XTPNAIFUXFOUIY-UHFFFAOYSA-N
-rxn:4:209880:223809,Cc1nc(N2CCC(F)(F)CC2)ccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,FQPQQCIMKMBDHB-UHFFFAOYSA-N
-rxn:4:210955:223712,COc1ccc(-c2nn(C3CCCCO3)c3cc(F)c(F)cc23)cc1C12CC3CC(CC(C3)C1)C2,LTLLBMFQZHGCMJ-UHFFFAOYSA-N
-rxn:4:211028:222439,Cc1c(Cl)cc2nn(C3CCCCO3)cc2c1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,ZSDOQDOIFUWZLN-UHFFFAOYSA-N
-rxn:4:211089:222430,N#CC1=C2CCCCCN2c2cc(-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)ccc2S1(=O)=O,GLSRBTPOOWRQTH-UHFFFAOYSA-N
-rxn:4:211101:226446,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCOC5)nc4C)ccc2OC32CCC(C)CC2)cc1,BCGXPHQLWUFIID-UHFFFAOYSA-N
-rxn:4:211103:222538,CCN1CCn2c3c(c4cc(-c5cc(C6CCCC6)nc(C6CCNCC6)c5)ccc42)CCCC31,VIYSZQUZLKQSBP-UHFFFAOYSA-N
-rxn:4:212491:223712,COc1ccc(-c2ccc3c(c2)C2CN(C)CCN2CC3)cc1C12CC3CC(CC(C3)C1)C2,CVFNTXMDBYNCDM-UHFFFAOYSA-N
-rxn:4:212492:224329,CN1CCC(=C2c3ccc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)cc3CCc3cccnc32)CC1,KVRNHLGKFVFMBL-UHFFFAOYSA-N
-rxn:4:212495:223712,COc1ccc(-c2ccc3[nH]c(C)c4c3c2C2(C)N(CC4)C(=O)OC2(C)C)cc1C12CC3CC(CC(C3)C1)C2,OWZMTBNSEZXYFZ-UHFFFAOYSA-N
-rxn:4:212499:223748,COCCOc1nc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)nn1COC,KKVKMMGBMFGZFR-UHFFFAOYSA-N
-rxn:4:212549:226477,CCCCOc1ncc(Cl)cc1-c1cccc(C(C#N)N2CCN(C(=O)OCC)CC2)c1,DEQNGYWNYBDJES-UHFFFAOYSA-N
-rxn:4:212619:224968,Cc1ccc(OCC2CCCO2)c(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1,UCYXKIQURARIQE-UHFFFAOYSA-N
-rxn:4:212630:223817,O=C(c1cncc(-c2cnn(CCN3C(=O)c4ccccc4C3=O)c2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,RGQMTPKSHMCMPA-UHFFFAOYSA-N
-rxn:4:212631:226306,CCOC(=O)c1ccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)cc1C,MHVBDWORTKUQGK-UHFFFAOYSA-N
-rxn:4:212649:226421,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCCC3)cn2)C1,OCOFIGUMGZPAQQ-UHFFFAOYSA-N
-rxn:4:212649:227878,CCCCCc1ccc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)s1,DVRPVEGDWFEURF-UHFFFAOYSA-N
-rxn:4:212650:224750,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)cn2)C1,JVDMZJIWRYJBDD-UHFFFAOYSA-N
-rxn:4:212650:226259,CCCCOc1ccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1Cl,FSGGWYYFQLQDRL-UHFFFAOYSA-N
-rxn:4:212650:226655,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCCC3)cn2)C1,FHVJKVREBMHKBA-UHFFFAOYSA-N
-rxn:4:212664:225507,COC(=O)C1CCc2cc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5OC)CC4)nc3)ccc21,GFPSAKXBKGTRPP-UHFFFAOYSA-N
-rxn:4:212680:224718,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(OCCN4CCOCC4)nc3)CC2)nn1,YIQXSQPXWRUOOH-UHFFFAOYSA-N
-rxn:4:212692:223609,CC1CN(C(=O)Cc2cncc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c2)CCN1C(=O)OC(C)(C)C,JVESEWRXRNZLBV-UHFFFAOYSA-N
-rxn:4:212741:227222,CCN(CC)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCC3)c2)cn1,RCWSASHDUIMMRN-UHFFFAOYSA-N
-rxn:4:212742:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCC1,NHJNPDXFXGPBCP-UHFFFAOYSA-N
-rxn:4:212814:226055,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2ccc3c4c(cccc24)CC3)C1(C)C,FGGYMXHMQBRJNL-UHFFFAOYSA-N
-rxn:4:212814:226361,Cc1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c(-n2cccn2)c1,VKNUONKWPFWODE-UHFFFAOYSA-N
-rxn:4:212917:224061,CCCC1CCC(c2ccc(-c3cnn(CC4CCN(CC(=O)OC)CC4)c3)c(F)c2)CC1,PVBSLNADZVBYDF-UHFFFAOYSA-N
-rxn:4:212917:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CCN(CC(=O)OC)CC4)c3)cc2)CC1,VSLOYWIPYSXNBQ-AFARHQOCSA-N
-rxn:4:212918:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn(CC4CN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,AHJMLVVORANZQA-UHFFFAOYSA-N
-rxn:4:212920:224778,COCCN1CCC(Oc2ncc(-c3c(F)cc(OC4CCOCC4)cc3F)cn2)CC1,JEDGOZCBGNQXKD-UHFFFAOYSA-N
-rxn:4:212938:222634,CCC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,XTOJDBOMPSJWIN-UHFFFAOYSA-N
-rxn:4:212944:227585,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(Cl)c(F)c2OCC)CC1,DLUGHZKOQNQDTE-UHFFFAOYSA-N
-rxn:4:212964:222581,CC(C)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)cn2)c2ccccc12,PSECLPQHPWMCEL-UHFFFAOYSA-N
-rxn:4:212989:226844,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccnc(C(=O)C(F)(F)F)c3)s2)CC1,QFYHIIDLANWJFX-UHFFFAOYSA-N
-rxn:4:213002:223566,Cc1ccc(C)n1-c1cc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)cc(-n2c(C)ccc2C)n1,UFDFRCVLHQOQHM-UHFFFAOYSA-N
-rxn:4:213010:225975,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,XHKZRFRXZLOTKO-KRWDZBQOSA-N
-rxn:4:213011:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)C(C)C)C3)nc2)cc1F,QUQVZHUCWHHNQK-UHFFFAOYSA-N
-rxn:4:213053:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,WIPZTQONIKKEAY-UHFFFAOYSA-N
-rxn:4:213064:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cncc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)c2)c1,ZMJJVCDKJPBKHA-UHFFFAOYSA-N
-rxn:4:213079:225977,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)cnc3N3CCOCC3)nc2)CC1,UDCQLXQQVRKPSE-UHFFFAOYSA-N
-rxn:4:213094:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C#N)c3N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)CC1,WHDMCGRHLHFAAS-UHFFFAOYSA-N
-rxn:4:213094:224356,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,ACNOCXUFUXUTDA-UHFFFAOYSA-N
-rxn:4:213096:223065,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2C#N)CC1,RMRHEPKKBBVVJL-UHFFFAOYSA-N
-rxn:4:213099:222588,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)c2C(F)(F)F)CC1,RQTOCQJMIPYJBT-UHFFFAOYSA-N
-rxn:4:213100:225898,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnn(CCN4CCOCC4)c3)c(C(F)(F)F)n2)CC1,LYJQAFAJYYCTMR-UHFFFAOYSA-N
-rxn:4:213130:225975,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccnc(N4CCOCC4)c3Cl)c2)CC1,ITZDHNBKAGTBJW-UHFFFAOYSA-N
-rxn:4:213136:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)cnc1Cl,ZVKRVYYBIWBWCK-UHFFFAOYSA-N
-rxn:4:213136:225685,Clc1ncc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)cc1C1CCCCC1,JIBFNRFOUFSWHA-UHFFFAOYSA-N
-rxn:4:213151:228347,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC4)nc3)cc(F)c2[N+](=O)[O-])CC1,NZURBFJCNVFFKU-UHFFFAOYSA-N
-rxn:4:213157:224328,Cc1cc(OC2CN(C(=O)c3cncc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)c3)C2)cc(=O)n1C1CC1,KBBYLCRKDHSFMB-UHFFFAOYSA-N
-rxn:4:213171:222584,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,ZIYGJSUCKZOGOW-UHFFFAOYSA-N
-rxn:4:213178:224494,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(CCOC5CCCCO5)cc4)cn3)C2)c(C)o1,YKKXXGOLYUQHIR-UHFFFAOYSA-N
-rxn:4:213192:227482,CCCOc1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c(Cl)cn1,VYYWCOQKRXUCRL-UHFFFAOYSA-N
-rxn:4:213195:222580,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)cn2)CC1,FLAVANJEPRREGN-UHFFFAOYSA-N
-rxn:4:213215:226253,CCCOc1cc(OC)cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c1,XTECEKYACKDSMT-UHFFFAOYSA-N
-rxn:4:213215:227241,CCOc1ccc(OC)cc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,WSXGGTGERYVKKP-UHFFFAOYSA-N
-rxn:4:213216:227268,CCOCc1ccc(F)cc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,LXTLSWOFSSSHCZ-UHFFFAOYSA-N
-rxn:4:213220:227743,CC1CN(c2ccc(-c3cc(C(F)(F)F)ccc3Cl)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,VHCRTYKMYCHTNV-UHFFFAOYSA-N
-rxn:4:213222:225227,CC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)cc2Cl)CC1,BLGMPGQGMBNKPA-UHFFFAOYSA-N
-rxn:4:213239:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cncc(C(=O)N2CCN(C(=O)C3CC3c3ccc(F)cc3)CC2)c1,JSCWZSRUMYRSBW-UHFFFAOYSA-N
-rxn:4:213247:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnn(CC2CN(C(=O)C3(c4ccccc4)CCOCC3)C2)c1,SEILYKCVCLEFTK-UHFFFAOYSA-N
-rxn:4:213263:222898,COC(=O)CNC(=O)c1ccc(-c2cccc(C(=S)N3CCN(C(=S)c4ccc(N(C)C)cc4)CC3)c2)cc1,UCEJESLHQWVGJD-UHFFFAOYSA-N
-rxn:4:213285:224612,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)C2)c1,RGWLYCABPGIPLC-UHFFFAOYSA-N
-rxn:4:213387:225763,COC(=O)c1cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1OC,DDOIYXHKHJHSFQ-UHFFFAOYSA-N
-rxn:4:213453:224292,Cc1cc(-c2ccc(C(=O)CSC3=Nc4ccccc4C4=NC(C(C)C)C(=O)N34)cc2)ccc1S(=O)(=O)OCC(C)(C)C,GCVHABLGQWKKHA-UHFFFAOYSA-N
-rxn:4:213480:224821,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(S(=O)(=O)N5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DQHYPARYHIUHQY-CPPXEKLYSA-N
-rxn:4:213480:225213,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCN(C)CC5)cc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HBRCBJJVSGKQKT-QPYSNBRXSA-N
-rxn:4:213480:226659,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GXZJIHPGPWJVGV-UCKIBBKRSA-N
-rxn:4:213481:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3cncc(C(=O)OCC4CN(C)C5Cc6cn(C)c7cccc(c67)C5(OC)C4)c3)c2)cc1,AOJCEWNDLCLMPL-UHFFFAOYSA-N
-rxn:4:213494:223686,COC(=O)C(C#N)c1ncc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)cn1,KUZZNDQIVLGKOH-UHFFFAOYSA-N
-rxn:4:213529:223592,CN(C)CCCn1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cn1,KBBJCJBDOROYMO-UHFFFAOYSA-N
-rxn:4:213653:222693,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1)N1CC(CN2C(=O)COC2=O)C1,QSVGQWBATZTGIT-UHFFFAOYSA-N
-rxn:4:213653:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)s2)CC1,XLLPBVJCFJHBKZ-UHFFFAOYSA-N
-rxn:4:213653:223824,O=C(c1cncc(-c2cc(C(F)(F)F)cnc2OCc2ccccc2)c1)N1CC(CN2C(=O)COC2=O)C1,IQPNYGVDETVXMX-UHFFFAOYSA-N
-rxn:4:213754:222902,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cccc(C(=O)NCC(=O)OC)c2)CC1,BHPVFMOXFZFZNB-UHFFFAOYSA-N
-rxn:4:213789:224199,CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCCC(c4nnc(C(F)(F)F)o4)C3)cc2)CC1,KWGKIPNGVBYJFZ-UHFFFAOYSA-N
-rxn:4:213793:224011,Cc1c(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)nnn1-c1cc(C(F)(F)F)ccc1Cl,ZFDBOONZRAKILA-UHFFFAOYSA-N
-rxn:4:213794:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,JXWJAVRTNZRNQE-UHFFFAOYSA-N
-rxn:4:213800:222634,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)ncn1,DSIMVSCSJIWQER-UHFFFAOYSA-N
-rxn:4:213801:223787,CN1CCN(CCCOc2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cc2F)CC1,WUEYRPDBIBVGRK-UHFFFAOYSA-N
-rxn:4:213803:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1,OYYXKVSHCLIPIM-UHFFFAOYSA-N
-rxn:4:213825:223812,O=C(c1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCCC(Oc2ncc(F)cn2)C1,JABUOEPADODFNB-UHFFFAOYSA-N
-rxn:4:213836:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)c1,BDXRHBKWVXVBNC-UHFFFAOYSA-N
-rxn:4:213843:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)ccc2F)CC1,IKLNKKHBIHBVTR-UHFFFAOYSA-N
-rxn:4:213884:223945,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,ROYWJQOCYDYAHT-UHFFFAOYSA-N
-rxn:4:213899:224974,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccccc1CN1CCN(C)CC1,NKDLNPPSKUHLMB-UHFFFAOYSA-N
-rxn:4:213933:228021,CC(=O)c1cc(C)cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)c1,PSOMCLBMFPUBCH-UHFFFAOYSA-N
-rxn:4:213937:225193,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4COCCO4)c(C#N)c3)CC2=O)ccn1,XZDFGDGJRXDDBK-UHFFFAOYSA-N
-rxn:4:213942:222972,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1NC(=O)C(C)(C)C,ZXGICKHSQVRBOG-UHFFFAOYSA-N
-rxn:4:213948:225828,c1nc(OC2CCN(CC3CCCC3)CC2)ncc1-c1cnc(N2CCCCCC2)nc1,FSOVCQUJOJOVQX-UHFFFAOYSA-N
-rxn:4:213962:223845,Cc1cnc(OC2CCN(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3F)CC2)nc1,LJYUOEJUPNQHAO-UHFFFAOYSA-N
-rxn:4:213971:225313,CN1CCN(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)n2)CC1,PHKIISFRIPNKKC-UHFFFAOYSA-N
-rxn:4:213989:226483,COCCOc1nc(C)ccc1-c1cnc(OCC2CCCN(C3CCOCC3)C2)nc1,REIHZQJHUKARFZ-UHFFFAOYSA-N
-rxn:4:213991:222985,Cc1nc(C2CCCNC2)ccc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,ZYHCZEHHNQOANJ-UHFFFAOYSA-N
-rxn:4:213992:222959,Cc1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)ccc1C1CCNCC1,JBDFZZWQERPVFK-UHFFFAOYSA-N
-rxn:4:214025:224766,CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2-c2cc(N3CCCC3)cc(C(F)(F)F)c2)CC1,BGWYXIYDRCTATQ-UHFFFAOYSA-N
-rxn:4:214033:226069,CC(C)[C@H]1COC(c2cc(-c3cccc(C4CCCCC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,HGIVOTNFUQGYJF-KAYWLYCHSA-N
-rxn:4:214033:226253,CCCOc1cc(OC)cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,RRBNKGMCNJELET-JWQCQUIFSA-N
-rxn:4:214033:226921,Cc1cc(C)c(C2CC2)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,DEYFMNRVEGYCME-CLJLJLNGSA-N
-rxn:4:214041:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(-c4noc(C5CCN(S(=O)(=O)c6ccccc6)CC5)n4)cc3)ccc2Cl)CC1,UPBRSWANNCMNQQ-UHFFFAOYSA-N
-rxn:4:214058:222418,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccc(S(N)(=O)=O)cc4)c3)CC2)CC1,BHIQDOSIAZDUSP-UHFFFAOYSA-N
-rxn:4:214058:224610,CCCCc1nc(-c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)cc2)no1,SAUXNYUSKTZHOH-UHFFFAOYSA-N
-rxn:4:214068:224393,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(-c5cc(C(F)(F)F)ccc5N5CCOCC5)c4)no3)CC2)cc1,GNVYCWMPIWCBGQ-UHFFFAOYSA-N
-rxn:4:214074:225754,COC(=O)c1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)c(C2CC2)cn1,SOLVHQLLMNTTIO-UHFFFAOYSA-N
-rxn:4:214079:225074,COc1cccc2c(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)c(C(C)C)nn12,HFJOGUUSCLOGGJ-UHFFFAOYSA-N
-rxn:4:214153:225683,Cc1nc(C2CCCOC2)ccc1-c1cnn2c1OC[C@H](N(C)C(=O)OC(C)(C)C)C2,FSSCIKIWEVIUQP-ZYMOGRSISA-N
-rxn:4:214190:223844,CC(=O)N1CCN(C(=O)Cn2ccc3c(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cccc32)CC1,BLRDQLTYEWFQPX-UHFFFAOYSA-N
-rxn:4:214230:222865,CCCCNC(=O)c1ccc(-c2cnc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1Cl,LHJYGBGGBAJWSP-UHFFFAOYSA-N
-rxn:4:214241:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cccnc3OC3CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)cc2F)CC1,DWYJUGWUVBDVEC-UHFFFAOYSA-N
-rxn:4:214246:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n4C)c2)C1,TWYWOZAAYOHHIB-UHFFFAOYSA-N
-rxn:4:214257:225293,CC(C)Oc1cc(-c2ccc(N3C4CCC3CN(C(=O)OC(C)(C)C)C4)nc2)ccc1C(F)(F)F,WQRDXZKJRKJOQX-UHFFFAOYSA-N
-rxn:4:214284:226844,COc1ccc(F)cc1S(=O)(=O)N1C2CCC1CC(n1cc(-c3ccnc(C(=O)C(F)(F)F)c3)cn1)C2,DCWIWWCUFDYGDX-UHFFFAOYSA-N
-rxn:4:214298:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1nc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c(C(C)C)s1,SJQSLBPJIKLAPX-UHFFFAOYSA-N
-rxn:4:214306:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(C(=O)N4CCN(C(=O)c5cn(C)c6ccccc56)CC4)c3)c2)CC1,HWFUCLGFAQQHHW-UHFFFAOYSA-N
-rxn:4:214322:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)cc1,LNNISUWGCQPOIS-UHFFFAOYSA-N
-rxn:4:214323:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)cc1,MZNWXOALHYLWLZ-UHFFFAOYSA-N
-rxn:4:214331:223085,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(-c3cnc(Cl)c(N4CCC(O)C4)c3)ccc21,WJVJTIORURXFMA-UHFFFAOYSA-N
-rxn:4:214339:223918,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cc(C(=O)N(C)C6CCCCC6)ccc5F)ccc43)C2=O)cc1,ISXIRWBCUDDNSE-UHFFFAOYSA-N
-rxn:4:214342:225212,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(N5CCN(C)CC5)c4)cc3)CC2)c2ccccc2n1,MANQIZKAIPZJBR-UHFFFAOYSA-N
-rxn:4:214347:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)CC1,KWELOSFBQBWYLA-UHFFFAOYSA-N
-rxn:4:214628:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(c4nccs4)C(=O)C3)o2)CC1,XBPWUDFTQIQQIB-UHFFFAOYSA-N
-rxn:4:214630:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c2Cl)CC1,VJXDAOFNWRLGHP-UHFFFAOYSA-N
-rxn:4:214631:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(CC4CCN(S(C)(=O)=O)C4)cn3)c2)CC1,SSOBBWRSECAELQ-UHFFFAOYSA-N
-rxn:4:214655:224254,CC1CCCN(C(=O)c2cc(-c3cnn(C(C)C(=O)N4CCC(F)(F)CC4)c3)ccc2F)C1,JSUOIKNQVRDZOO-UHFFFAOYSA-N
-rxn:4:214698:223687,CCCc1nc(N2CCN(C)CC2)sc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,OIEPDPNVFUNALS-UHFFFAOYSA-N
-rxn:4:214708:224704,CC1CCN(c2cc(-c3cnc(OC4CCN(C5COC5)CC4)nc3)cc(F)c2F)CC1,WKPDEQRDJOZULO-UHFFFAOYSA-N
-rxn:4:214710:224589,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(F)cc3CN3CCC(C)CC3)c2)CC1,UKCCQFCPVRHIGS-UHFFFAOYSA-N
-rxn:4:214716:224764,CCN1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cc3F)c(F)cc2[N+](=O)[O-])CC1,PGIRLGXFQPUCCZ-UHFFFAOYSA-N
-rxn:4:214747:224195,CCN1CCN(Cc2cc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)ccc2Cl)CC1,WPBNPGHCSCYHQR-UHFFFAOYSA-N
-rxn:4:214749:224634,COc1ccc(-c2cnc(OC3CCN(C4CCC4)CC3)nc2)cc1CN1CCOCC1,DSSAHXOXVMAKJQ-UHFFFAOYSA-N
-rxn:4:214818:226231,CCCCOc1ncc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1C,VDDQQRXURDOVQF-UHFFFAOYSA-N
-rxn:4:214819:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1Cl,WGZRGLCIDGXGCL-UHFFFAOYSA-N
-rxn:4:214837:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)ccc1Cl,XHDMTBGZGJDMIJ-UHFFFAOYSA-N
-rxn:4:214850:224582,CC(C)N1CCCC(Cc2cnc(-c3cccc(N4CCN(C5CC5)CC4)c3)cn2)CC1,JFYAOWQRBMKILW-UHFFFAOYSA-N
-rxn:4:214852:226021,O=C(c1cncc(-c2cc(Cl)ccc2OCC(F)(F)F)c1)N1CCC(N2CCCC2)CC1,XXZRSJJWYYCUIN-UHFFFAOYSA-N
-rxn:4:214862:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,WJZVAYCUEKDUAZ-UHFFFAOYSA-N
-rxn:4:214872:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,DLIOAGJXSUOGEB-UHFFFAOYSA-N
-rxn:4:214880:223574,Cc1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,IKEVIDDPTASKPG-UHFFFAOYSA-N
-rxn:4:214889:224687,CN1CCN(Cc2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2N2CCCC2)CC1,QOXZRBDOPZKVJI-UHFFFAOYSA-N
-rxn:4:214896:224694,COc1cccc(-c2ncc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(C)c3)cc2Cl)c1,DTQPDWRHHPRNOS-UHFFFAOYSA-N
-rxn:4:215063:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cn4c(n3)CN(C(=O)OC(C)(C)C)CC4)c(F)ccc21,XVVLSENDFKMKEM-UHFFFAOYSA-N
-rxn:4:215098:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nn(C)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,PODKBNKCKSEFCP-UHFFFAOYSA-N
-rxn:4:215148:224279,CC(C)(C)OC(=O)N1Cc2cnc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)n2CC1(C)C,SODWRPHZPVOQOJ-UHFFFAOYSA-N
-rxn:4:215170:226354,COc1cc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c(Cl)c(C2CC2)c1,VBICQGORJLVBEY-UHFFFAOYSA-N
-rxn:4:215184:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)CC1,SOESGCUAOFYHSL-UHFFFAOYSA-N
-rxn:4:215184:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,GFQJRGHHPQOUAY-UHFFFAOYSA-N
-rxn:4:215201:227119,CC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(-c3cc(C4CCCCC4)cs3)cnc12,KDXKGXAUKHRLCH-UHFFFAOYSA-N
-rxn:4:215219:226312,CC(C)OC(=O)c1ccccc1-c1ccc2ccc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1,QQZQJRKYRVPYBN-UHFFFAOYSA-N
-rxn:4:215276:223570,COc1cccc(C2=NN3C(C2)c2cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc2OC3c2ccncc2)c1,VUUVEEBINARUEK-UHFFFAOYSA-N
-rxn:4:215295:225219,CC1CCCCN1c1cc(F)c(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cn1,RQLBZBVRBGNEMR-UHFFFAOYSA-N
-rxn:4:215708:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)nc3)cc2F)CC1,IUVQUOCMZFJXAL-UHFFFAOYSA-N
-rxn:4:215820:222466,CN1CCC(Oc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)nn2)CC1,YSZQAIJHJBBPTH-UHFFFAOYSA-N
-rxn:4:215884:222465,CN1CCN(Cc2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cnc2F)CC1,VUAHHJDFRCDTFU-UHFFFAOYSA-N
-rxn:4:215884:223970,Cc1ccc(-c2cnc(F)c(CN3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,ORROGCXZMQLVAY-UHFFFAOYSA-N
-rxn:4:215893:224265,CN1CCN(c2cccc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)c2[N+](=O)[O-])CC1,YCBYZJDWIHWRSG-UHFFFAOYSA-N
-rxn:4:215898:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,SPKRVZDLIKPOTJ-UHFFFAOYSA-N
-rxn:4:215900:222607,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)nc2)CC1,IWIZZCQRQPSMFK-UHFFFAOYSA-N
-rxn:4:215906:222514,COc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)NC1CCCCC1,XCTHDFYXNDRKJG-UHFFFAOYSA-N
-rxn:4:215906:224394,Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCOCC1,UMAPUIQYZBYMFO-UHFFFAOYSA-N
-rxn:4:215906:224407,CN1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)c2)CC1,CGCCJQMSOPSYSZ-UHFFFAOYSA-N
-rxn:4:215942:223993,Cc1cc(-c2ncccc2N2CCC(N(C)C)CC2)ccc1S(=O)(=O)N1CCN(C)CC1,ZCHFRAZBMHZBGQ-UHFFFAOYSA-N
-rxn:4:215961:224634,COc1ccc(-c2cc(S(N)(=O)=O)ccc2N2CCN(C)CC2)cc1CN1CCOCC1,SIKSILARAJEJKU-UHFFFAOYSA-N
-rxn:4:215982:223530,CC1CCCN(c2cc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)nc(C(C)C)n2)C1,XDSYKPAAZHFGJR-UHFFFAOYSA-N
-rxn:4:215985:222539,CN1CCN(C2CC(=O)N(c3ccc(-c4ccc5c(c4)CC(NC(=O)OC(C)(C)C)C5)cc3)C2=O)CC1,QXILMFUNEGOBFQ-UHFFFAOYSA-N
-rxn:4:216245:223775,COc1ccc2c(c1)c(-c1cnc3c(c1)N(C(=O)C(C)(C)C)CCN3C)cn2C(=O)OC(C)(C)C,VJHKEYVIQJAJTE-UHFFFAOYSA-N
-rxn:4:216294:222603,COc1cc(-c2ccc3c(c2)OCCn2cc(N4C(=O)OC[C@H]4C(F)F)nc2-3)c(Cl)cc1NC(=O)OC(C)(C)C,FKLKUQYHOCDKIN-IBGZPJMESA-N
-rxn:4:216319:222852,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cccc(CN5CCC(O)CC5)c4)ccc3S2(=O)=O)n1,XQLJXPNKCQICAA-UHFFFAOYSA-N
-rxn:4:216319:224949,COc1ccc(-c2ccc3c(c2)N2CCCC2=C(C(=O)n2nc(C)cc2C)S3(=O)=O)cc1CN1CCCC1,HJCCRBNAILHZEF-UHFFFAOYSA-N
-rxn:4:218588:225056,CC1CCCN(c2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)c(F)c2)C1,GKQWNYSKJIAUSN-UHFFFAOYSA-N
-rxn:4:218589:225061,CC1CCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)c(F)c2)CC1,HROYYMUMUORLEL-UHFFFAOYSA-N
-rxn:4:218590:225059,CC1CCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5C#N)C4)nc3)c(Cl)c2)CC1,RZEWWRCTILOCCP-UHFFFAOYSA-N
-rxn:4:218606:224759,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,BSGFHZKMVWTEAU-UHFFFAOYSA-N
-rxn:4:218643:226836,CC(C)n1cc(-c2cncc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)c2)c(C(F)(F)F)n1,FSKWFCUSBJDRNP-UHFFFAOYSA-N
-rxn:4:218652:227767,CCn1cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(C(F)(F)F)n1,DOYSAASCFAVYHS-UHFFFAOYSA-N
-rxn:4:218656:226021,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(Cl)ccc3OCC(F)(F)F)cn2)C1,ZVGZKXJUNVIAKD-UHFFFAOYSA-N
-rxn:4:218668:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccnc2OC2CCN(C(=O)CN3CCN(c4ccccc4)C3=O)C2)CC1,PKGZIVZTOABVMS-UHFFFAOYSA-N
-rxn:4:218681:222588,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cn3)CC2)CC1,RTRVTMKPSOLPCR-UHFFFAOYSA-N
-rxn:4:218686:223530,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1,VITOZQWPSNARJT-UHFFFAOYSA-N
-rxn:4:218711:226807,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(Cl)c(-n4ccnc4)c3)CC2)CC1,BSVQVZRFBGZNGF-UHFFFAOYSA-N
-rxn:4:218824:224612,CN(CC1CN(c2ncc(-c3ccc(OCCN4CCOCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,CMQKOCIOANTDLY-UHFFFAOYSA-N
-rxn:4:218884:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)cn2)CC1,WKYSPBACDOKZCM-UHFFFAOYSA-N
-rxn:4:218922:224797,CCCCOc1c(F)c(F)c(-c2cnc(OCC3CCN(c4ncccc4C(F)(F)F)CC3)nc2)c(F)c1F,GYFLFYMSRPAOEE-UHFFFAOYSA-N
-rxn:4:218944:228209,Cc1cc(Cl)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1C#N,MMCJKBDLKYYSHR-UHFFFAOYSA-N
-rxn:4:218972:224587,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCC(C)CC5)c(F)c4)cn3)C2)s1,RRYASZWDLIZQRN-UHFFFAOYSA-N
-rxn:4:218976:222948,O=C1C(N2CCC(Oc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)CC2)CCN1CC(F)(F)F,GZRMEUZDGOGKHK-UHFFFAOYSA-N
-rxn:4:218976:226729,O=C1C(N2CCC(Oc3ncc(-c4cnc(OC5CCOC5)nc4)cn3)CC2)CCN1CC(F)(F)F,DZPFZPSTWZEZRU-UHFFFAOYSA-N
-rxn:4:218976:228712,O=C1C(N2CCC(Oc3ncc(-c4ccnn4C4CCC4)cn3)CC2)CCN1CC(F)(F)F,QQTAIVKGRSBRMD-UHFFFAOYSA-N
-rxn:4:218992:223112,CC(C)c1ccc2[nH]ncc2c1-c1cnn(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,COINEJUNGZFULA-UHFFFAOYSA-N
-rxn:4:219001:225143,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccc(-n4cnc(C)c4)c(OC)c3)C2)C(=O)C1=O,HIVMOGOWTRKQMH-UHFFFAOYSA-N
-rxn:4:219002:222546,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1=O,WSFHKTONXANYAW-UHFFFAOYSA-N
-rxn:4:219027:223104,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2ccc(NC(=O)C(F)(F)F)cc2)cnn1C,VNKCJVNSYGKGAR-UHFFFAOYSA-N
-rxn:4:219044:223960,CCN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)ccc2F)CC1,XERZVZQIBYAJHP-UHFFFAOYSA-N
-rxn:4:219046:226259,CCCCOc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1Cl,OCVBNTLCHSCQAU-UHFFFAOYSA-N
-rxn:4:219061:228974,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4cnn(S(C)(=O)=O)c4)cn3)C2)CC1,NOISABFXFDIQHE-UHFFFAOYSA-N
-rxn:4:219120:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,VCBXDDSMEMUGKO-UHFFFAOYSA-N
-rxn:4:219184:222948,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc2)OC3)CC1,BGLVLCSIHWKHHC-UHFFFAOYSA-N
-rxn:4:219207:228441,CSc1ccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c(Cl)c1F,JPISBYWTUKQGJS-UHFFFAOYSA-N
-rxn:4:219245:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1,VKOSIHJQXCAPTJ-UHFFFAOYSA-N
-rxn:4:219340:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c2)CC1,RMQJCNHDXSCQSG-UHFFFAOYSA-N
-rxn:4:219354:223695,CN(C1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1)S(=O)(=O)C1CC1,DURRXMROHRKDRU-UHFFFAOYSA-N
-rxn:4:219354:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(N(C)S(=O)(=O)C5CC5)C4)nc3)cc2)CC1,IBRCFKCMNOYKMI-HPCXZVJPSA-N
-rxn:4:219377:222584,CCn1ccnc1N1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)o2)CC1,UWDBVOYXXPGWPH-UHFFFAOYSA-N
-rxn:4:219381:223995,CSc1ncc(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,QZCYKJXNKZMPMF-UHFFFAOYSA-N
-rxn:4:219384:223712,COc1ccc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,QBTSIRSZDDVGTK-UHFFFAOYSA-N
-rxn:4:219409:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4nnc(C(=O)N5CCOCC5)c4C)cc3)ccc2C)CC1,PXWRQWFEPMVODO-UHFFFAOYSA-N
-rxn:4:219451:225828,Cn1cc(-c2cnc(N3CCCCCC3)nc2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,DOJVHVNGDMQYEA-UHFFFAOYSA-N
-rxn:4:219466:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCN(Cc5cccc(C)n5)CC4)nc3)c2)CC1,IINUMRFXZDFJOD-UHFFFAOYSA-N
-rxn:4:219468:227111,Cc1cc(C2CC2)cc(Cl)c1-c1cnc(OC2CCN(C(=O)N3CCOCC3)CC2)nc1,WNFRQENJOBMWJP-UHFFFAOYSA-N
-rxn:4:219488:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1,SVLPBOMPYCSFFV-INIZCTEOSA-N
-rxn:4:219530:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c1,OLKSNYRYROUEIA-UHFFFAOYSA-N
-rxn:4:219534:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,VQTGXBPQHHZAEW-UHFFFAOYSA-N
-rxn:4:219534:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)CC1,XKLOEJAEAJMVQV-UHFFFAOYSA-N
-rxn:4:219547:223812,O=C(c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,IZUZKJPOOQZIAF-UHFFFAOYSA-N
-rxn:4:219551:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OC2CCN(C3CCN(C(C)C)C3=O)CC2)nc1,DGTGFCFGLBWELI-UHFFFAOYSA-N
-rxn:4:219559:225978,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(-c3ccc(N4CCOCC4)nc3F)o2)CC1,JAMGIUUCLGEPIJ-UHFFFAOYSA-N
-rxn:4:219606:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(CC4CN(C(=O)c5ccc6ccccc6n5)C4)c3)ccn2)CC1,QVKGODCESLPMMO-UHFFFAOYSA-N
-rxn:4:219624:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)c(C)c1,LCASFHJKHNTGMI-UHFFFAOYSA-N
-rxn:4:219639:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)C4)nn3c2)cc1,OLRQSDMMTGGYIO-UHFFFAOYSA-N
-rxn:4:219654:224194,CCN1CCN(Cc2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2Cl)CC1,UBIPDJURDLSQCP-UHFFFAOYSA-N
-rxn:4:219655:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3C4CCC3CC(n3cncn3)C4)cc2)c(F)c1,LYBHWRIIKWSNPU-UHFFFAOYSA-N
-rxn:4:219678:226429,CC1CCCN(c2ccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)s2)C1,XBEHHXQMNSOMCI-UHFFFAOYSA-N
-rxn:4:219697:224672,CCN1CCN(c2ccc(-c3ccc(CC(=O)N4Cc5cnc(N6CCOCC6)nc5C4)cc3)c(Cl)c2)CC1,HDWDHLIYTCZBMU-UHFFFAOYSA-N
-rxn:4:219707:224975,CCN1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cc2)CC1,KGOAGMDLCNJKKW-UHFFFAOYSA-N
-rxn:4:219707:225312,CN1CCCN(c2ncc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,WJPVVWNXKQLETK-UHFFFAOYSA-N
-rxn:4:219718:224250,Cc1cc(OC2CN(C(=O)c3c4ccc(-c5cc(C(=O)N6CCCCC6C)ccc5F)cc4nn3C)C2)cc(=O)n1C,NGAYHHJPHOYSFB-UHFFFAOYSA-N
-rxn:4:219750:223602,COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,JNBKDFMQKWLKLJ-UHFFFAOYSA-N
-rxn:4:219760:225059,CC1CCN(c2ccc(-c3cccc(Cn4nc5c(S(=O)(=O)N6CCCCCC6)cccn5c4=O)c3)c(Cl)c2)CC1,JLDSPNPOYGACJE-UHFFFAOYSA-N
-rxn:4:219767:224777,CN1CCN(n2c3c(c(SCc4ccc(-c5cnc(C6CCCC6)c(C(F)(F)F)c5)cc4)nc2=O)CCC3)CC1,KZNVIXRHSFDFMU-UHFFFAOYSA-N
-rxn:4:219778:224718,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,GVKNJDHHVOTUBP-UHFFFAOYSA-N
-rxn:4:219867:222693,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2[N+](=O)[O-])CC1,WECBPIPCKVDCGY-UHFFFAOYSA-N
-rxn:4:219880:225281,CSc1ncc(-c2cc(Cl)nc(C(=O)OC(C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,APLVWFZIGRXZMN-UHFFFAOYSA-N
-rxn:4:219903:222694,CC(C)N1CCN(c2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2[N+](=O)[O-])CC1,LYVIBFJZLOVURM-UHFFFAOYSA-N
-rxn:4:219903:224179,CC(C)N1CCN(c2ncc(-c3ccc(OCCN4CCN(C)CC4)cc3)cc2[N+](=O)[O-])CC1,QJSABMGAOBHTOY-UHFFFAOYSA-N
-rxn:4:219955:225808,O=C(C1CN(c2ncc(-c3cc(OC4CCCC4)ncc3F)cn2)CCO1)N1CCSCC1,QSSAJDHCABGGJY-UHFFFAOYSA-N
-rxn:4:219961:223695,Cc1ccc(N2CCN(C(=O)c3cccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)c3)CC2)nn1,GDQJEUSMSXJUSR-UHFFFAOYSA-N
-rxn:4:219961:223697,Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)c3)CC2)nn1,ZPZWYYNFYQIBFJ-UHFFFAOYSA-N
-rxn:4:219975:226025,O=C(C1CN(c2ncc(-c3cnc(OC4CCOC4)nc3Cl)cn2)CCO1)N1CCCCC1,VFXXWIKGSJFMDM-UHFFFAOYSA-N
-rxn:4:220070:222709,CC(C)(C)NC(=O)c1cc(-c2nc3n(n2)CCCN(C(=O)OC(C)(C)C)C3)cc([N+](=O)[O-])c1,FDVOXKANBLOMMJ-UHFFFAOYSA-N
-rxn:4:220136:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1,OGKAWHSPWQVHQU-UHFFFAOYSA-N
-rxn:4:220162:223007,CSc1ncc(-c2cc(F)cc(C3CCNCC3)c2)c(N2CC(N3CC4CCCC4C3)C2)n1,CRLFQPGDBPLIPF-UHFFFAOYSA-N
-rxn:4:220162:223071,CCS(=O)(=O)NCc1ccc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)cc1,AZJJXIWWEFHFRI-UHFFFAOYSA-N
-rxn:4:220205:226554,CCCOc1cc(F)c(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1F,OCYIYTMOXPWORR-UHFFFAOYSA-N
-rxn:4:220221:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2ccc(C3Cn4nc(C(=O)N5CCN(C)CC5)cc4CO3)cc2)c1,FWNIQUIFLOWPSB-UHFFFAOYSA-N
-rxn:4:220396:224670,CN1CCN(Cc2ccc(F)c(-c3cnc(N4CCN(C)C(=O)C4)c([N+](=O)[O-])c3)c2)CC1,IGXNHTPGSGIEBL-UHFFFAOYSA-N
-rxn:4:220429:222927,Cc1nc(N2CCCCC2O)ncc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,SHJWUSAKZBAKFN-UHFFFAOYSA-N
-rxn:4:220429:225190,COc1cc(N2CCOCC2)ccc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,IRHCORUYVHTIFI-UHFFFAOYSA-N
-rxn:4:220470:223588,Cc1cc(-c2cncc(C(=O)N3CCn4nccc4C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,BXYFWDVLZINUEZ-UHFFFAOYSA-N
-rxn:4:220533:222929,OC1CCN(c2cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cnc2Cl)CC1,QJFOGRFIAVCSIG-UHFFFAOYSA-N
-rxn:4:220533:224886,CC1CCN(Cc2ccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cc2)CC1,GBEJSHUEGPWANQ-UHFFFAOYSA-N
-rxn:4:221110:227626,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cnc(C5CCOC5)nc4)cn3)CC2)CC1,DOJWLCUMXGTEFK-UHFFFAOYSA-N
-rxn:4:221112:226123,CCOc1ccc(-c2ccc(COC)c(C3CC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,HLDAPRYONUHDSB-UHFFFAOYSA-N
-rxn:4:221121:223239,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(C6CCCN6)c5)ccc43)CC2)CC1,TXRSPWYBYWAUDO-UHFFFAOYSA-N
-rxn:4:221128:223769,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc6cccc(C#N)c6n5C(=O)OC(C)(C)C)cc4)nnn3c3ccccc23)C1,ILLQKHRHQVNXKM-UHFFFAOYSA-N
-rxn:4:221169:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,RQYDBWDHBLNXAQ-UHFFFAOYSA-N
-rxn:4:221173:223670,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)ccc1=O,RYQMUTNGQMSGFP-UHFFFAOYSA-N
-rxn:4:221175:228224,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cc(C)c4Cl)cn3)C2)C(=O)C1=O,MNPMLNVYACGKMA-UHFFFAOYSA-N
-rxn:4:221175:228353,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(N(C)C)c(Cl)c4)cn3)C2)C(=O)C1=O,PHDJRGFHODHNCL-UHFFFAOYSA-N
-rxn:4:221205:223162,CNC(=O)c1ccc(OC)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,MXVQNFWMXSCZHB-UHFFFAOYSA-N
-rxn:4:221232:222826,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C1)CCOC2,KXYJGMHWZJAXIH-UHFFFAOYSA-N
-rxn:4:221250:226713,COCCOc1cc(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c(F)cn1,MMIXGRIACFIAHM-UHFFFAOYSA-N
-rxn:4:221269:226502,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccn(C(=O)OC(C)(C)C)c3)cc2)n(C)c1=O,DYIMFOZRFRQXON-UHFFFAOYSA-N
-rxn:4:221334:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ncccn6)no5)C4)c3)cc2C)CC1,NKTLUMWZGKFFLA-UHFFFAOYSA-N
-rxn:4:221375:222546,Cn1cnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cc1=O,ORLHBIOCOOLRRU-UHFFFAOYSA-N
-rxn:4:221385:223815,O=C(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)o1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1,DJUIRUUXHNVRIP-UHFFFAOYSA-N
-rxn:4:221395:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1,HLSGBYOGLWYNLA-HXUWFJFHSA-N
-rxn:4:221395:224582,O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(-c3cccc(N4CCN(C5CC5)CC4)c3)cn2)CC1,QKBUZBAQICBTOI-UHFFFAOYSA-N
-rxn:4:221395:224666,CN1CCN(Cc2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)ccc2F)CC1,QTULPWULRZFVGX-UHFFFAOYSA-N
-rxn:4:221427:223872,CCN(C(=O)c1cccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1)C1CCCCC1,QJZYOYRDVWGGKQ-UHFFFAOYSA-N
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-rxn:4:221633:224322,Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)CC2)n1,YEOHSVFBFHADRS-UHFFFAOYSA-N
-rxn:4:221836:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,UNUUEZRTXKTRLL-UHFFFAOYSA-N
-rxn:4:221943:222748,O=C(NCC1CCCO1)c1cccc(-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)c1,NEKBIVJTVQSGSB-UHFFFAOYSA-N
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-rxn:4:222006:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5cc(-n6cccn6)ncn5)CC4)o3)ccc2OC)CC1,AJRSVVOWENLPLQ-UHFFFAOYSA-N
-rxn:4:222039:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(-n2cnnn2)c(C(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)c1,SZOMKZRBPDNOAK-UHFFFAOYSA-N
-rxn:4:222054:227779,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc([N+](=O)[O-])cc(F)c5F)o4)CC3)nn2)CC1,CDMONQPBZNVOLT-UHFFFAOYSA-N
-rxn:4:222089:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,HBPAZDDPNBKBQT-FLSAQCKPSA-N
-rxn:4:222089:222900,CC(C)(C)OC(=O)NCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cs1,UTDGRAKYADBQFI-UHFFFAOYSA-N
-rxn:4:222089:223911,CCOC(=O)C1(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2)CCOCC1,FDNAMQRFHJFBPV-UHFFFAOYSA-N
-rxn:4:222089:225155,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1)N1CCOCC1,SZHVZFFTKJTIPY-UHFFFAOYSA-N
-rxn:4:222089:225228,CN1CCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)c2)CC1,DGWGCZOSXBCLRT-UHFFFAOYSA-N
-rxn:4:222108:223084,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCC(O)CC7)nc6)cc5)no4)C3C2=O)cc1F,ADZDMFDHCDFVFT-UHFFFAOYSA-N
-rxn:4:222108:225320,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCOCC7)c(F)c6F)cc5)no4)C3C2=O)cc1F,AGBXOFDYKVZBKA-UHFFFAOYSA-N
-rxn:4:222111:223606,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cn3)C2)n2nc(C)cc2n1,KNPGPRLYJRQJRT-UHFFFAOYSA-N
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-rxn:4:222167:222466,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)CC2)c1C,UCZRTTAOFKMMPF-UHFFFAOYSA-N
-rxn:4:222192:223959,CCN1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)ccc2Cl)CC1,BOUFPCWMZCGHNF-UHFFFAOYSA-N
-rxn:4:222203:225044,C[Si](C)(C)c1cc(-c2cncc(C(=O)N3CCN(c4nccn5nc6c(c45)CCCC6)CC3)c2)cc([Si](C)(C)C)c1,FZBGCAWWHVNYSN-UHFFFAOYSA-N
-rxn:4:222229:222389,c1nc2c(c(N3CCN(c4ncc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cn4)CC3)n1)CCCC2,NWSBPUHGQCQEAQ-UHFFFAOYSA-N
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-rxn:4:222289:222602,CC(C)Cc1cc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,PTQDZLXSJJBAAP-UHFFFAOYSA-N
-rxn:4:222337:225320,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(N5CCOCC5)c(F)c4F)cn3)CC2)n1,NKXLTRXWCXABAX-UHFFFAOYSA-N
-rxn:4:222338:222990,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(N5CCC(O)CC5)cc4)cn3)CC2)n1,PZLWVKLCDIBFMK-UHFFFAOYSA-N
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-rxn:4:222361:223839,COCCn1cnc2c(N3CC4CN(c5ncc(-c6cc(S(=O)(=O)N7CCN(C)CC7)ccc6OC)cn5)CC4C3)ncnc21,HIFSHAOANOLPCL-UHFFFAOYSA-N
-rxn:4:222361:224849,COCCn1cnc2c(N3CC4CN(c5ncc(-c6cc(C7CCCC7)cc(C7CC7)c6)cn5)CC4C3)ncnc21,WTMKPEITDBTLTD-UHFFFAOYSA-N
-rxn:4:222380:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)ccc2OC)CC1,KMDAKJMAYUCSHW-UHFFFAOYSA-N
-rxn:4:222389:176125,O=C(Oc1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1,CNHZFQQIZWDUFR-UHFFFAOYSA-N
-rxn:4:222389:214850,CC(C)N1CCCC(Cc2cnc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,QRJARDNYKRMYBW-UHFFFAOYSA-N
-rxn:4:222543:185487,CCC(CC)n1ccc2c(C(=O)OC)cc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)cc21,SNIVQQLZMNUZTP-UHFFFAOYSA-N
-rxn:4:222630:207731,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,MPDPAQTVBGSZFQ-UHFFFAOYSA-N
-rxn:4:222782:187190,Cc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cnc1NC(=O)OC(C)(C)C,WYJBNCIMYPQIBA-UHFFFAOYSA-N
-rxn:4:222891:204113,COc1cc(-c2ccc(CN3CCCCC3)c(N3CCCC3)c2)cc(C2CCNCC2)n1,OQRGOLSBDGRNJH-UHFFFAOYSA-N
-rxn:4:222920:215239,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc(N2OC3C(=O)N(C4CCCCC4)C(=O)C3C2c2cccnc2)cc1,VSTFWKAEEXBARG-UHFFFAOYSA-N
-rxn:4:222960:187230,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C)cc(C3CCNCC3)c2)CC1,DEHGRHJYGABUCX-UHFFFAOYSA-N
-rxn:4:223080:198071,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)C43)cc2)cc1,FVOZMPSSLTXRMJ-UHFFFAOYSA-N
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-rxn:4:223570:174635,COc1ccc(C2=C(Sc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c3ccc(OC)cc3S2=O)cc1,UBDQNQSKIHLVTP-UHFFFAOYSA-N
-rxn:4:223570:204949,COc1ccc(C2=NN3C(C2)c2ccccc2OC3(C)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,RLKWANOQPPZHHS-UHFFFAOYSA-N
-rxn:4:223580:174009,COC(=O)c1ccc2c(c1)cc(-c1ccc(C(=O)C(C(C)=O)C(=O)OC)cc1)n2C(=O)OC(C)(C)C,WNPKLOFVJOSOMN-UHFFFAOYSA-N
-rxn:4:223660:204409,CC(=O)CCn1ncc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2c1=O,DBORLBPQCCGEBD-UHFFFAOYSA-N
-rxn:4:223671:197169,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cc4c3OCC(C#N)=C4)ccn2)CC1,XOSXYSJUWBALFY-UHFFFAOYSA-N
-rxn:5:176857:225577:225638,COC(=O)c1cc(OC)c(-c2ccc(N3CCC(C)CC3)nc2)cc1-c1ccc(N2CCCC2)cc1C#N,MFFKJFZQVSVIPZ-UHFFFAOYSA-N
-rxn:5:177180:226330:223006,CCOC(=O)c1c(C)cc(-c2ccc(C(C)N3CCCC3)s2)cc1-c1ccc(F)c(C2CCNCC2)c1,FTSZFTVXRDSLCR-UHFFFAOYSA-N
-rxn:5:177181:223064:225871,CC(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,OAAFUFJRRAUGDE-UHFFFAOYSA-N
-rxn:5:177185:223062:225784,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(CN2CCOCC2)nc1,HSAGUGDUTHRFJC-UHFFFAOYSA-N
-rxn:5:177189:223064:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(C2CCNCC2)nc1F,YZNJJJULPKUBBL-UHFFFAOYSA-N
-rxn:5:177190:223056:225464,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,QITSJVBDWWSHQU-UHFFFAOYSA-N
-rxn:5:177190:225454:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C3=CCN(C)CC3)cc2)c1,PWBJLODRHCHVLI-UHFFFAOYSA-N
-rxn:5:177190:225455:222992,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2cc(N3CCCCC3)ccc2C)c1,PLRMUOVJIMMWLR-UHFFFAOYSA-N
-rxn:5:177190:225455:225613,CCS(=O)(=O)Cc1ccc(-c2ccnc(OC3CCCCC3)c2)c(-c2cc(N3CCCCC3)ccc2C)c1,IIKGTCQRASCWHQ-UHFFFAOYSA-N
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-rxn:5:177190:225472:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cccc(N3CCCCC3C)c2)c1,QXAMRRQYXJHYCQ-UHFFFAOYSA-N
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-rxn:5:177190:225576:225597,CCS(=O)(=O)Cc1ccc(-c2ccc(OC3CCCCC3)nc2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,SILRWNBBMPRFJT-UHFFFAOYSA-N
-rxn:5:177190:225597:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2ccc(OC3CCCCC3)nc2)c1,ARGUHBVDAAVMGT-UHFFFAOYSA-N
-rxn:5:177190:225633:225611,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)cc2OC)c(-c2ccc(N3CCCCCC3)nc2)c1,SLNSMUZRRPPCPQ-UHFFFAOYSA-N
-rxn:5:177190:225636:225464,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCC(C)C3)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,IRQALZGPPRURRZ-UHFFFAOYSA-N
-rxn:5:177190:225639:225454,CCS(=O)(=O)Cc1ccc(-c2ccc(C3=CCN(C)CC3)cc2)c(-c2cccnc2N2CCC(C)CC2)c1,WWPXQWCKPFONLS-UHFFFAOYSA-N
-rxn:5:177190:225639:225679,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2F)c(-c2cccnc2N2CCC(C)CC2)c1,ZBDCPZUPQOYUCH-UHFFFAOYSA-N
-rxn:5:177190:225652:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cncc(N3CCCC(C)C3)c2)c1,PGFRTNKEMNGTQP-UHFFFAOYSA-N
-rxn:5:177190:225652:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2cncc(N3CCCC(C)C3)c2)c1,NVOJTXPUWPGPDP-UHFFFAOYSA-N
-rxn:5:177190:225653:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCCCC3C)nc2)c1,JPHBVRGPZWUKQY-UHFFFAOYSA-N
-rxn:5:177190:225655:225469,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC(C)C3)cc2)c(-c2cncc(N3CCC(C)CC3)c2)c1,SXVRBQVPJAZJBM-UHFFFAOYSA-N
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-rxn:5:177190:225656:225472,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCCC3C)c2)c(-c2cncc(N3CCCCC3C)c2)c1,MBITZKFCWHQWQF-UHFFFAOYSA-N
-rxn:5:177190:225679:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCCCC3)cc2F)c1,WUUUKVZNPIFHQF-UHFFFAOYSA-N
-rxn:5:177190:225805:226590,CCS(=O)(=O)Cc1ccc(-c2ccc(OC3CCOC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,VZPNAAUXWLQXGR-UHFFFAOYSA-N
-rxn:5:177191:223006:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c2F)CCC1,WTCKXAXETKDIEV-UHFFFAOYSA-N
-rxn:5:177191:225603:223004,N#CC1(c2cccc(-c3cc(-c4ccc(C5CCNCC5)c(F)c4)ccc3CC(=O)C3CC3)c2F)CCC1,GNQDPNAEIWATSW-UHFFFAOYSA-N
-rxn:5:177373:223063:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(OCC2OCCO2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,BLKFJXKMARBYEQ-UHFFFAOYSA-N
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-rxn:5:178467:223148:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccccc3C3CNCCO3)c2OC1,MHCYKDZTNCJPDD-UHFFFAOYSA-N
-rxn:5:178467:223281:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,MSFYOGIHPAFSHL-UHFFFAOYSA-N
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-rxn:5:179629:225798:226583,COc1ccc(-c2ccc(OC3CCOCC3)nc2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,WCFBXYSMXXIHPL-UHFFFAOYSA-N
-rxn:5:180021:226425:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(N2CCCCC2C)s1,CJLTZKLAMSZMDE-UHFFFAOYSA-N
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-rxn:5:180662:226148:222988,COC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,UXSYJKHTMPQCAN-UHFFFAOYSA-N
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-rxn:5:181625:225832:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,DLFCAKXVVZJHEW-UHFFFAOYSA-N
-rxn:5:181904:223007:222988,Cc1cc(-c2c(-c3cc(F)cc(C4CCNCC4)c3)ccc(C3OCCO3)c2C)cc(C2CCNCC2)n1,SQZCZQFFEMEDAV-UHFFFAOYSA-N
-rxn:5:181904:225832:223136,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccncc1C1CCCNC1,ZURIMXNQQMGBOU-UHFFFAOYSA-N
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-rxn:5:181906:225607:227611,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccnn1C1CCCCO1,MUWGUUYPXDAQGK-UHFFFAOYSA-N
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-rxn:5:181908:222981:222988,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(NC3CCCCC3)c2)cc(C2CCNCC2)n1,SCDQANJRGNXUKT-UHFFFAOYSA-N
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-rxn:5:181908:223001:222959,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C3CCCNC3)ccc2F)ccc1C1CCNCC1,GHHDQAYDTNSZHU-UHFFFAOYSA-N
-rxn:5:181908:223058:223061,Cc1cc(-c2cc(F)nc(C3CCCNC3)c2)c(-c2cc(C3CCNCC3)ncc2F)cc1C1OCCO1,LISDLRADKXLYAX-UHFFFAOYSA-N
-rxn:5:181908:225653:222987,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,DUMMKIDLPAXYKM-UHFFFAOYSA-N
-rxn:5:182011:222957:225683,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,CWFXYRBCSCUBQI-UHFFFAOYSA-N
-rxn:5:182011:225832:226382,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1cnc(C2CCCCC2)nc1,SUNKCOWVHHWEIY-UHFFFAOYSA-N
-rxn:5:182012:222985:222960,Cc1cc(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2C2CCCOC2)cc(C2CCNCC2)c1,DSBMHAGAOSGJOT-UHFFFAOYSA-N
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-rxn:5:182012:226432:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCC3)nc2F)cc1C1CCCOC1,QTQYGEXIWOGTAX-UHFFFAOYSA-N
-rxn:5:183189:222988:225674,Cc1cc(-c2cc(-c3cnc(C4CCCCC4)cc3F)cc3c2OC(C)(C)OC3)cc(C2CCNCC2)n1,PTXFUYQEQNNRHZ-UHFFFAOYSA-N
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-rxn:5:189207:227515:225394,CC(C)Oc1cnc(F)c(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)c1,PRGPLZSRHMCUHQ-UHFFFAOYSA-N
-rxn:5:189207:227520:226060,CC(C)Oc1cc(F)c(-c2ccc(-c3cc(C4CC4)cc(C4CC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)cn1,WMIPYUWVRYXKRT-UHFFFAOYSA-N
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-rxn:5:189208:226913:225935,CCc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cc(C(C)C)nc(C(F)(F)F)c3)c2)cc(C2CC2)c1,TZFCUMURRKYCKI-UHFFFAOYSA-N
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-rxn:5:189210:228699:225605,Cc1cnc(OC2CCCC2)c(-c2cccc(-c3cncc(N(C)C)c3)c2C(=O)ON2C(=O)CCC2=O)c1,WMNWDJWTHQWRRW-UHFFFAOYSA-N
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-rxn:5:189407:223056:225985,CN(Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1)C1CC1,SHUZMBYORSQWBI-UHFFFAOYSA-N
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-rxn:5:189513:223007:225462,CC1CCN(c2cccc(-c3ccc(S(=O)(=O)c4cc(-c5cc(F)cc(C6CCNCC6)c5)ccc4[N+](=O)[O-])cc3)c2)CC1,VCFDMMYILJPLMZ-UHFFFAOYSA-N
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-rxn:5:189666:223062:227447,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2c(F)ccc(C3CC3)c2F)c(-c2cnc(C3CCNCC3)cc2F)c1,UOIAKOYTFUXGQK-JVQVHTMISA-N
-rxn:5:189666:225834:223008,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cc(C3CCNCC3)ccc2F)c(-c2cc(N3CCCCC3)ncc2F)c1,PRESHDOITDAMNF-ZXLSJTEJSA-N
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-rxn:5:189672:226150:226146,CC(C)(C)S(=O)/N=C/c1cccc(-c2cccc(SC3CCCC3)c2)c1-c1ccc(SC2CCCC2)cc1,AZTGMZUKDYVCCY-PPFNPFNJSA-N
-rxn:5:189674:226338:226414,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3=NCCCO3)cc2)cc1-c1ccnc(OC2CCCC2)c1,JJYZUGIYJNDFRD-KEIPNQJHSA-N
-rxn:5:189829:225588:223134,COc1c(-c2ccccc2CN2CCSCC2)cc(C(=O)N2CCCC2)cc1-c1cnccc1C1CCCNC1,XFBBJMIJIPXBSM-UHFFFAOYSA-N
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-rxn:5:189952:222405:227362,CCOc1cc(C)cc(F)c1-c1cc(C(=O)N2CCOCC2)cc(-c2cccc(C3NC(=O)NC3=O)c2)c1OC,YXGKALADWCBJEI-UHFFFAOYSA-N
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-rxn:5:190127:226794:228146,CCc1cncc(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2C(=O)N2CCC(OC)CC2)c1OC,ZXLZLRRTTYXQOA-UHFFFAOYSA-N
-rxn:5:190128:227818:223010,CCC(C)c1cccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(C3(O)CCOCC3)cc2)c1,WSRSLOXEMHHQLO-UHFFFAOYSA-N
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-rxn:5:190131:226753:226644,COc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cncc(N4CCOCC4)c3)c2OC)c(C(F)(F)F)c1,JPMXBHKBXMMYLQ-UHFFFAOYSA-N
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-rxn:5:190132:223306:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(-c2ccc3c(c2)CNCC3)ccc1C(=O)N1CCC(OC)CC1,PKBKHXVCTMNBDN-UHFFFAOYSA-N
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-rxn:5:190194:225437:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(CN3CCCCC3)c2)c1OC,KLTHAWFUOOQTCG-UHFFFAOYSA-N
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-rxn:5:190194:225833:223388,COC1CCN(Cc2cccc(-c3ccnc(N4CCCCC4)c3F)c2-c2ccc(S(=O)(=O)O)cc2)CC1,LOMOYMHNIKDCJZ-UHFFFAOYSA-N
-rxn:5:190194:226067:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3=CCCCC3)cc2)c1OC,SJRRWSZZSPFLTH-UHFFFAOYSA-N
-rxn:5:190194:227119:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)cs2)c1OC,PXEJXEOXCNSCPF-UHFFFAOYSA-N
-rxn:5:190195:222417:226583,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(CN2CCOCC2)s1,LXQQVXAAFUOUPP-UHFFFAOYSA-N
-rxn:5:190196:226590:227495,CCN(C)c1cc(-c2cc(-c3ccc(OC4CCOC4)nc3)ccc2CN(C)C2CCOCC2)c(F)cn1,DNJORKKVOSAZFW-UHFFFAOYSA-N
-rxn:5:190197:226583:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(CN3CCOCC3)s2)c1,YCVBILKFXXDQMH-UHFFFAOYSA-N
-rxn:5:190197:228556:225607,COCc1ccc(-c2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2CN(C)C2CCOCC2)cc1,FQZKTEIDIVGPPB-UHFFFAOYSA-N
-rxn:5:190198:227045:226176,CN(Cc1c(-c2cccc(SC(C)(C)C)c2)cccc1-c1ccncc1C1CCCCC1)C1CCOCC1,NYIMZJTYMLNMBW-UHFFFAOYSA-N
-rxn:5:190265:226366:225465,CC1CCCN(C(=O)Cc2ccc(-c3cccc(C4CCN(C)CC4)c3)c(-c3ccnc(N4CCCCC4)c3)c2)C1,SKCZLKOBCPHWIP-UHFFFAOYSA-N
-rxn:5:190307:223239:223173,CC1CCN(CCc2cc(-c3cncc(C4CCCN4)c3)ccc2-c2ccc3c(c2)C(O)CS3(=O)=O)CC1,BKBQLUJPFNOVJN-UHFFFAOYSA-N
-rxn:5:190308:225611:227784,COc1cc(N2CCCC2)ccc1-c1ccc(-c2cc(F)c(F)c([N+](=O)[O-])c2)c(CCN2CCCC(C)C2)c1,FOAAQMSJUSHGEB-UHFFFAOYSA-N
-rxn:5:190308:225817:227837,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)c(C4CC4)c3)cc2CCN2CCCC(C)C2)cc(C2CC2)c1,DVQMVMCZLPIYGE-UHFFFAOYSA-N
-rxn:5:190309:228189:225870,CCSc1ccc(F)c(-c2ccc(-c3cc(F)cc(N4CCOCC4)c3)c(CCN3CCCCC3C)c2)c1,DMIYQWUGUSAGKU-UHFFFAOYSA-N
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-rxn:5:190336:226779:228013,COc1c(-c2ccc(C(=O)C(F)(F)F)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(F)c(C2CC2)c1,ILLHIXZJXFXNHE-UHFFFAOYSA-N
-rxn:5:190336:227070:223340,CCOc1cc(C)c(C)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc3c(c2)NCCO3)c1OC,HNDRRKROAWNFNL-UHFFFAOYSA-N
-rxn:5:190336:227931:226130,COc1c(-c2ccc(CN3CCCC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccccc1OC1CC1,NOIMMQNFVHZRFU-UHFFFAOYSA-N
-rxn:5:190484:225455:223172,Cc1ccc(N2CCCCC2)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc4cc([N+](=O)[O-])ccc4[nH]3)S(=O)(=O)CC2)c1,PUHGUVUMQLUHCO-UHFFFAOYSA-N
-rxn:5:190484:226662:223139,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CCNCC6)nc5)S(=O)(=O)CC4)c3)s2)CC1,NWPYLOYCSSABJC-UHFFFAOYSA-N
-rxn:5:190484:227657:223147,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,RFBSBQWYUCFLKO-UHFFFAOYSA-N
-rxn:5:190484:227860:226583,CN1CCc2cc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(CN6CCOCC6)s5)S(=O)(=O)CC4)c3)ccc21,VAJGMHYGVYFAKR-UHFFFAOYSA-N
-rxn:5:190484:228868:223132,COC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(N5CCNCC5)c4)S(=O)(=O)CC3)c2)s1,UFSWBKRKCVQDSC-UHFFFAOYSA-N
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-rxn:5:190740:225980:225976,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,GHBTXJOWTMMHLD-UHFFFAOYSA-N
-rxn:5:190741:223062:225976,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,KSORVGUZLWBJNJ-UHFFFAOYSA-N
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-rxn:5:190742:226661:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1ccc(N2CCNCC2)cc1F,QMSNFXDXWRITSC-UHFFFAOYSA-N
-rxn:5:190744:223006:225784,CCOC(=O)c1cnc2c(-c3ccc(F)c(C4CCNCC4)c3)c(C)ccc2c1-c1ccc(CN2CCOCC2)nc1,FQMCLIKHAPSBGG-UHFFFAOYSA-N
-rxn:5:190744:225834:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,FKQOHNJBPXIQGR-UHFFFAOYSA-N
-rxn:5:190799:223018:226062,CC(C)c1cc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(C(C)C)c1,LIHFNZOVSIMJJS-UHFFFAOYSA-N
-rxn:5:190832:225833:226664,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(N4CCCCC4)c3F)c(C)c2c1-c1cc(N2CCCC2)ncc1F,VSYAHYLATYCVFI-UHFFFAOYSA-N
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-rxn:5:190833:228566:226599,CCOc1c(F)cc(-c2ccc(-c3ccsc3CC(C)C)c3c2CN(C(=O)OC(C)(C)C)C3=O)c(C)c1F,JZCPPOKSTGPYHD-UHFFFAOYSA-N
-rxn:5:190859:223007:223388,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc(F)cc(C3CCNCC3)c1)c2-c1ccc(S(=O)(=O)O)cc1,HATGNBFRQAJIHU-UHFFFAOYSA-N
-rxn:5:190993:225601:225810,COc1ccc(-c2ccc(CCN3Cc4cc(-c5ccc(C6(C#N)CCC6)cc5F)ccc4OCC3=O)cc2)c(C2OCCO2)c1,QAOMOPUWEBZSMZ-UHFFFAOYSA-N
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-rxn:5:190998:226320:228388,COC(=O)c1cc(-c2cc(C(F)F)ncc2C)ccc1N1Cc2cc(-c3cc(C4(C#N)CC4)ccc3F)ccc2OCC1=O,QXHZDIUWVYULMG-UHFFFAOYSA-N
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-rxn:5:196794:227657:225934,O=C1COCCN1c1cc(-c2ccc(N3CCOCC3)s2)ccc1-c1cnc(C(F)(F)F)c(C2CC2)c1,GJLRUODYWXHKJZ-UHFFFAOYSA-N
-rxn:5:196858:222958:226686,Cc1ccc(-c2cnc(C3CCOCC3)cc2-c2c(C)cnn2C2CCCCO2)cc1C1CCNCC1,NXOBYHWJADOQHR-UHFFFAOYSA-N
-rxn:5:196858:222986:223004,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)c(F)c2)cc(C2CCCNC2)n1,VWFZIKGPCLUHNI-UHFFFAOYSA-N
-rxn:5:196858:223007:222986,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(F)cc(C3CCNCC3)c2)cc(C2CCCNC2)n1,IYXASDDMMLAIJP-UHFFFAOYSA-N
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-rxn:5:196859:222988:223007,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2cc(F)cc(C3CCNCC3)c2)cc(C2CCNCC2)n1,GODQAEOKDSVSFW-UHFFFAOYSA-N
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-rxn:5:196859:225880:222986,Cc1cc(-c2nccc(C3CCOCC3)c2-c2cc(C3CCOCC3)ncc2F)cc(C2CCCNC2)n1,QKKKAXHTBNXQPQ-UHFFFAOYSA-N
-rxn:5:196859:226686:222960,Cc1cc(-c2nccc(C3CCOCC3)c2-c2c(C)cnn2C2CCCCO2)cc(C2CCNCC2)c1,ZZPSUCVQMUHPEY-UHFFFAOYSA-N
-rxn:5:196869:225661:225616,Cc1cc(N2CCOCC2)ccc1-c1ccc(N2CCOCC2)c(-c2ccccc2C(=O)N2CCCC2)c1,STYBYYAKJABSII-UHFFFAOYSA-N
-rxn:5:196873:222984:225931,Cc1cc(-c2cc(N3CCOCC3)ccc2-c2ccc(CN3CCC(O)C3)cc2)cc(S(=O)(=O)N(C)C)c1,MKGAJEKPRZFZDE-UHFFFAOYSA-N
-rxn:5:196873:225832:223142,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1ccc(C2CCCNC2)nc1,JWEZAZPYAREMPR-UHFFFAOYSA-N
-rxn:5:196917:225926:225671,CC1(C)COC(c2cc(-c3cc(C4CCCCC4)ncc3F)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,JVTWEOCFNJXZCY-UHFFFAOYSA-N
-rxn:5:196917:225985:226420,CC1(C)COC(c2cc(-c3ccc(F)c(N4CCCC4)c3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WAFOGBXXQQJLGD-UHFFFAOYSA-N
-rxn:5:196918:225507:227611,COC(=O)C1CCc2cc(-c3cccc(N4CCCCC4=O)c3-c3ccnn3C3CCCCO3)ccc21,XNHFATOAPHKWJK-UHFFFAOYSA-N
-rxn:5:196919:225800:225934,CC1(C)COC(c2ccc(-c3ccc(C(=O)N4CCSC4)cc3)cc2-c2cnc(C(F)(F)F)c(C3CC3)c2)=N1,BRGNEVPKQSJZOL-UHFFFAOYSA-N
-rxn:5:196919:225985:226420,CC1(C)COC(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(F)c(N3CCCC3)c2)=N1,BXZZFABKVXMEPJ-UHFFFAOYSA-N
-rxn:5:196969:222960:225684,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCNCC2)c1,JVPJBSQEKRBDNU-UHFFFAOYSA-N
-rxn:5:196970:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(C2CCCOC2)cc1,CGVJGTNXMXUIBQ-UHFFFAOYSA-N
-rxn:5:197169:225655:225985,CC1CCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc4c3OCC(C#N)=C4)c2)CC1,AENKHQACMUMJLB-UHFFFAOYSA-N
-rxn:5:197526:226414:225849,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(C3=NCCCO3)cc1)c2-c1cnc(N2CCCCC2)cc1F,RREFYBBVMINSIB-UHFFFAOYSA-N
-rxn:5:197526:226842:222960,CC(=O)N1CC(=O)c2c1ccc(-c1cncc(C(=O)C(F)(F)F)c1)c2-c1cc(C)cc(C2CCNCC2)c1,JSTWZXWPCWFODC-UHFFFAOYSA-N
-rxn:5:197876:225929:225605,Cc1cnc(OC2CCCC2)c(-c2cc3c(cc2-c2ccc(S(=O)(=O)N(C)C)c(C)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YFNGQRQFZZADBM-UHFFFAOYSA-N
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-rxn:5:197876:227091:227035,CC(C)(C)N1C(=O)c2cc(-c3cc(C#N)cc(C4CC4)c3)c(-c3cncc(C4CCCC4)c3)cc2S1(=O)=O,RVIJZJHUSFNHFS-UHFFFAOYSA-N
-rxn:5:197876:229052:225819,CCCn1nccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1C1CC1)C(=O)N(C(C)(C)C)S2(=O)=O,RPOZIWZWRHGKAF-UHFFFAOYSA-N
-rxn:5:222985:183189:223001,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2cc(C3CCCNC3)ccc2F)cc2c1OC(C)(C)OC2,BUGLENOWEFBHSJ-UHFFFAOYSA-N
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-rxn:5:225454:193866:227807,CN1CC=C(c2ccc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3cccc4c3CCCC4)cc2)CC1,HYEJXYDPFFXZDX-UHFFFAOYSA-N
-rxn:5:225455:193869:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cc(N4CCCCC4)ccc3C)cc2C)ccn1,CPGSISHHDZPXOW-UHFFFAOYSA-N
-rxn:5:225455:193972:228588,CC#Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(N4CCCCC4)ccc3C)cc2C)ccn1,BETSANXHWUAUFH-UHFFFAOYSA-N
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-rxn:5:225633:193870:228518,CC#Cc1ccc(-c2cc(-c3ccc(N4CCCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1,SYHJCHRVOUFZGK-UHFFFAOYSA-N
-rxn:5:225636:192562:225985,CC1CCN(c2cc(-c3ccc(C4(C#N)CCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)ccn2)CC1,HWVUZXCSENPZMI-UHFFFAOYSA-N
-rxn:5:225636:193055:223173,CC1CCN(c2cc(-c3ccc(C4(C#N)CCCC4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)ccn2)CC1,NJALAPANFSFQAE-UHFFFAOYSA-N
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-rxn:5:225636:193972:229126,Cc1cc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCC(C)CC4)c3)cc2C)cn1,IUNZOQMNJVZMRQ-UHFFFAOYSA-N
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-rxn:5:225638:193464:223173,CC1CCN(c2ccc(-c3ccc(C4(C#N)CCCCC4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)cn2)CC1,GEEDOQARIGHMCW-UHFFFAOYSA-N
-rxn:5:225638:193972:229099,Cc1cc(-c2ccc(N3CCC(C)CC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)ccnc1F,GTWFAPMVZMQNFJ-UHFFFAOYSA-N
-rxn:5:225638:196971:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCC(C)CC3)nc2)ncc1C1CCCCC1,MVXSUFXPKHHUCY-UHFFFAOYSA-N
-rxn:5:225655:181907:222985,Cc1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,AUFKCQRGHAWWQE-UHFFFAOYSA-N
-rxn:5:225831:181907:222985,Cc1cc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,BMBVBDFYMLQDQW-UHFFFAOYSA-N
-rxn:5:225832:181621:223058,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)cc(C2OCCO2)c1,HJBKZZZBOMXSFQ-UHFFFAOYSA-N
-rxn:5:225832:181904:223137,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cncc(C2CCCNC2)c1,FDXTYHZXVWJVSE-UHFFFAOYSA-N
-rxn:5:225832:181906:223147,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(C2CNCCO2)cc1,GOFUFFOWLDQQOM-UHFFFAOYSA-N
-rxn:5:225832:182011:223007,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1cc(F)cc(C2CCNCC2)c1,CPAXWODVUSBZTQ-UHFFFAOYSA-N
-rxn:5:225832:183189:223001,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCNC3)ccc2F)cc2c1OC(C)(C)OC2,DLXOUIUZOXVFDU-UHFFFAOYSA-N
-rxn:5:225832:196669:225633,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCC2)cc1-c1ccc(N2CCCCCC2)nc1,XKBXYNSMPAKKDA-UHFFFAOYSA-N
-rxn:5:225832:196869:226177,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2ccnc(C3CCCCC3)c2)c1,AYNOTGHMCZETMK-UHFFFAOYSA-N
-rxn:5:225832:196872:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1N1CCOCC1,DJLIQHZZYWDMHJ-UHFFFAOYSA-N
-rxn:5:225832:196969:223146,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cccc(C2CNCCO2)c1,BZJAORPVORMHNB-UHFFFAOYSA-N
-rxn:5:225832:196977:223142,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1ccc(C2CCCNC2)nc1,OUGFGCKFYIAVEJ-UHFFFAOYSA-N
-rxn:5:225833:193870:225886,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1-c1ccnc(N2CCCCC2)c1F,VFWOLVYXKDMAKL-UHFFFAOYSA-N
-rxn:5:225871:178119:226926,Cc1cc(C(C)(C)C)ccc1-c1c(C)cc(C(=O)OC(C)(C)C)cc1-c1cccc(N2C(=O)C=CC2=O)c1,YQZZVUFIIRIXES-UHFFFAOYSA-N
-rxn:5:225871:189334:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cnc1C(=O)OC(C)(C)C,XOFQIZPFHZMTPK-UHFFFAOYSA-N
-rxn:5:225881:178226:227587,COc1cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3CCOCC3)nc2F)cc(F)c1OC,YGYVKQSJTZNWHV-UHFFFAOYSA-N
-rxn:5:225881:181621:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCOCC3)nc2F)cc(C2OCCO2)c1,HFZLIERHABNTLN-UHFFFAOYSA-N
-rxn:5:225886:193869:225833,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1F,KWYHKYMCLMRFTJ-UHFFFAOYSA-N
-rxn:5:225886:193869:226572,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(OC2CCCC2)nc1,DANBMROISZHDJV-UHFFFAOYSA-N
-rxn:5:225886:193869:226679,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,ZMCMGNPFUZFBCU-UHFFFAOYSA-N
-rxn:5:225886:193972:226382,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C2CCCCC2)nc1,OIEYNPNXSJXBBU-UHFFFAOYSA-N
-rxn:5:225886:193972:227381,Cc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C2CCCC2)nc1,DLWZXZFAJRVOJC-UHFFFAOYSA-N
-rxn:5:225925:196978:225636,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCCC2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,WPBOQMWAKDOFBK-UHFFFAOYSA-N
-rxn:5:225926:183227:225636,CC1CCN(c2cc(-c3cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cc4c3OCCC4(C)C)ccn2)CC1,BWKNDVFHYCJSHN-UHFFFAOYSA-N
-rxn:5:225926:183227:225656,CC1CCCCN1c1cncc(-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc3c2OCCC3(C)C)c1,AIARVIKDBNQIAT-UHFFFAOYSA-N
-rxn:5:225986:196408:225438,CC(c1ccc(-c2ccc(C3=NOCCO3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cc1)N1CCCC1,YPUJQEUWXQUHGF-UHFFFAOYSA-N
-rxn:5:226058:178295:227906,CCC(C)c1ncccc1-c1ccc(-c2c(C(C)C)cccc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,NYTFGMLBMPPURJ-UHFFFAOYSA-N
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-rxn:5:227346:178295:228276,CCCc1cc(F)c(-c2ccc(-c3ccc(F)c(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KQHFGDUSBXKUTD-UHFFFAOYSA-N
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-rxn:5:227349:190194:226190,COc1cc(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCC3)cc2F)c1OC,DMHBESNWKVUNCH-UHFFFAOYSA-N
-rxn:5:227376:193972:227837,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCC4)c3)cc2C)cc(C2CC2)c1,FHHRHVGCMOLUCE-UHFFFAOYSA-N
-rxn:5:227491:193972:225886,Cc1cc(-c2cnc(OC3CCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,HJKIKGYMGOGPCW-UHFFFAOYSA-N
-rxn:5:227512:178295:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C(=O)OC)ncc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IZJWLKSDLKUIJN-UHFFFAOYSA-N
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-rxn:5:227523:178295:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(C)ncc2C(=O)OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,URHPGFWZALBOPI-UHFFFAOYSA-N
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-rxn:5:227540:178295:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,BIOCPFOKBFAICW-UHFFFAOYSA-N
-rxn:5:227561:190194:225394,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCC3)cc(C3CC3)c2)cc1OC,USVXVIBQMOZENT-UHFFFAOYSA-N
-rxn:5:227568:178295:228186,COC(=O)C1(c2cc(-c3cccc(SC)c3OC)ccc2-c2c(F)cc(OC)cc2OC)CCC(=O)CC1,SNYHUXILDJRBDD-UHFFFAOYSA-N
-rxn:5:227587:193462:225598,COc1cc(-c2ccc(-c3cccc(CN4CCSCC4)c3)c(CN3CCC(=O)CC3)c2)cc(F)c1OC,RVHXOYWMUSWAFN-UHFFFAOYSA-N
-rxn:5:227591:178295:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(C(F)F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,XBLLWQLWEUBRIC-UHFFFAOYSA-N
-rxn:5:227591:189208:226911,CCc1cc(C)cc(CC)c1-c1cc(-c2ccc(C(F)F)cc2OC)ccc1C(=O)ON1C(=O)CCC1=O,DRAOCTKWONSFGO-UHFFFAOYSA-N
-rxn:5:227592:193967:226907,COc1cc(F)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3CCC43CC3)c2)c1OC,WQGLSFJWXUBJJF-UHFFFAOYSA-N
-rxn:5:227612:192882:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)cnc1OC1CCCC1,KDNIHWQSXBBSBT-UHFFFAOYSA-N
-rxn:5:227612:196971:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)ncc1C1CCCCC1,CRLYCZYANYURNP-UHFFFAOYSA-N
-rxn:5:227701:178295:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(C(=O)OC)ncc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WEWSALAKXAZDAD-UHFFFAOYSA-N
-rxn:5:227704:178295:227921,COC(=O)C1(c2cc(-c3cccc(C(C)OC)c3)ccc2-c2cc(C(F)F)ncc2OC)CCC(=O)CC1,BLLMSDUPUSEFJF-UHFFFAOYSA-N
-rxn:5:227706:178295:227937,COC(=O)C1(c2cc(-c3cccc(SC(C)C)c3)ccc2-c2cc(OC)cnc2C(F)F)CCC(=O)CC1,AAPBSBMHKMMNTF-UHFFFAOYSA-N
-rxn:5:227808:178295:227297,COC(=O)C1(c2cc(-c3cc(CN(C)C)ccc3F)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,MTGPJNADTVCUCF-UHFFFAOYSA-N
-rxn:5:227813:178295:226603,CCc1cccc(CC)c1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,OUGRZRBJBDZVAL-UHFFFAOYSA-N
-rxn:5:227815:178295:226920,CCC(C)c1ccccc1-c1ccc(-c2cc(C(C)(C)C)ccc2C)cc1C1(C(=O)OC)CCC(=O)CC1,ISRRGAZKZUBMSD-UHFFFAOYSA-N
-rxn:5:227815:178295:227045,CCC(C)c1ccccc1-c1ccc(-c2cccc(SC(C)(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,ISLHNVUPCUIYPG-UHFFFAOYSA-N
-rxn:5:227816:178295:226582,CCCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,SDUWQZHKXQWOIV-UHFFFAOYSA-N
-rxn:5:227817:178295:223295,COC(=O)C1(c2cc(-c3cncc(NS(C)(=O)=O)c3)ccc2-c2ccccc2CC(C)C)CCC(=O)CC1,UFRRRKHLWFEUMI-UHFFFAOYSA-N
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-rxn:5:227818:191026:226926,CCC(C)c1cccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,PTRHQZDCRQHEFW-UHFFFAOYSA-N
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-rxn:5:227830:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(C3(C)CC3)cc2)CCC(=O)CC1,ZIVIYGQDVRLKMV-UHFFFAOYSA-N
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-rxn:5:227837:193870:226395,Cc1cc(-c2cc(-c3cncc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc(C2CC2)c1,HKNWOGBBHAOMSZ-UHFFFAOYSA-N
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-rxn:5:227932:178295:223271,COCc1ccc(C)c(-c2ccc(-c3ccc(F)c(NC(C)=O)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HAHHFXNKPVTXRV-UHFFFAOYSA-N
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-rxn:5:227935:190194:225435,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccccc2CN2CCCCC2)ccc1OC,TZGUPCNMXKVYPC-UHFFFAOYSA-N
-rxn:5:227935:190194:225588,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccccc2CN2CCSCC2)ccc1OC,CWNFBLURQYYHCE-UHFFFAOYSA-N
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-rxn:4:177119:223559,CO/C=C/c1cc(OC)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,FUPSFBYYTMAFKU-BUHFOSPRSA-N
-rxn:4:177386:222466,COC(=O)C1(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2F)CC1,QPRSIXACCXLLCQ-UHFFFAOYSA-N
-rxn:4:177406:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccccc3CC(=O)C(C)C)cc21,WDZOKKGFVCBBNO-UHFFFAOYSA-N
-rxn:4:177434:223598,COCc1cc(C)cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1OC,BQOPGROBNAYYIB-UHFFFAOYSA-N
-rxn:4:177466:223638,CSc1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c(OC(C)C)c(F)c1F,UGQUZCDIIJAUJM-UHFFFAOYSA-N
-rxn:4:178328:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)CC4CCCCC4)cc3)c2)CC1,IOPOZTZUTILRLS-UHFFFAOYSA-N
-rxn:4:178371:224719,COc1c(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc(C(C)(C)C)cc1C(C)(C)C,HONRMLYLAKNQBH-UHFFFAOYSA-N
-rxn:4:178381:223882,Cc1cccc2c1cc(-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)n2C(=O)OC(C)(C)C,WTCVYPSLHSIGDL-UHFFFAOYSA-N
-rxn:4:178382:223881,Cc1ccc2cc(-c3cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c3)n(C(=O)OC(C)(C)C)c2c1,LQEGXOZOGHMKGH-UHFFFAOYSA-N
-rxn:4:178384:223246,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c2cn[nH]c12,ILLNJFGLLMJTQT-UHFFFAOYSA-N
-rxn:4:178384:223910,COc1ccc(COc2cccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c2Cl)cc1,YMSWUNIBDLODKM-UHFFFAOYSA-N
-rxn:4:178384:226257,CCCCOc1ccc(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZBOJFFSNCQYBIL-UHFFFAOYSA-N
-rxn:4:178384:226562,CCOc1c(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC,ZSBLUDDYTVMRTD-UHFFFAOYSA-N
-rxn:4:178384:227124,CC(C)(C)c1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,BLSFSRLZEGRUDK-UHFFFAOYSA-N
-rxn:4:178384:227972,c1ncc(C2CCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UQMXPZZCWKJYPB-UHFFFAOYSA-N
-rxn:4:178384:228234,Fc1nccc(C2CC2)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WVAOYGYEJSIWNR-UHFFFAOYSA-N
-rxn:4:178384:228563,CC(C)Cc1csc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,DZDWOIUQEXNYAO-UHFFFAOYSA-N
-rxn:4:178384:228734,COc1nccc(C)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ILXZNMLHAUJEFQ-UHFFFAOYSA-N
-rxn:4:178597:227815,CCC(C)c1ccccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,PERUAYUMZHUQNB-UHFFFAOYSA-N
-rxn:4:178597:228217,CC(C)c1ncc(Cl)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,JVBBISLZSNJABF-UHFFFAOYSA-N
-rxn:4:178597:228900,COc1cnc(Cl)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,RIHWOHDEXFKGLO-UHFFFAOYSA-N
-rxn:4:178598:223933,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)c1,OSLLNINFGTUYLR-UHFFFAOYSA-N
-rxn:4:179029:223505,CCOc1cc(Cl)c(F)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,MHYNQVJAKWAINN-UHFFFAOYSA-N
-rxn:4:179320:223575,CC(=O)c1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)cc1Cl,LYXFARGCMIGWPX-UHFFFAOYSA-N
-rxn:4:179595:223505,CC(C)Oc1c(F)ccc(Cl)c1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,BXFZARQYPYHAOH-UHFFFAOYSA-N
-rxn:4:179862:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(S(C)(=O)=O)c(S(C)(=O)=O)c3)cc2)C1,MMFPMYJTXJBAEJ-UHFFFAOYSA-N
-rxn:4:180025:223776,COc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c(C2OCCO2)c1F,QJBGZDQGXAEYRJ-UHFFFAOYSA-N
-rxn:4:180432:223846,Cc1cc(-c2ccccc2C(=O)C2(C)C=CCCC2)cc(C2CC3CCC2(C)C3(C)C)c1,WMPWOYLCFIQCQC-UHFFFAOYSA-N
-rxn:4:180492:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCOC4)ccc3C3CC3)cc2)CC1,KWLGFAUAGZNNTH-UHFFFAOYSA-N
-rxn:4:180528:224634,COc1ccc(-c2ccc(OC3CCC4(CC3)OCCO4)cc2)cc1CN1CCOCC1,AIOZLRGQIHPVBV-UHFFFAOYSA-N
-rxn:4:180815:225035,COc1ccc(-c2cc(F)ccc2OC2CCCCC2)cc1C12CC3CC(CC(C3)C1)C2,DIJWOAFMJMXIQZ-UHFFFAOYSA-N
-rxn:4:181834:223698,O=C1CC(=O)CC(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)o2)C1,NDSFHAONAWWYBN-UHFFFAOYSA-N
-rxn:4:182225:223597,COc1c(F)cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c2c1CCC2=O,VMBYJDLUQHIRKA-UHFFFAOYSA-N
-rxn:4:182367:225330,COC(=O)c1cc(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)cc(C(=O)OC)n1,JSAXIPCAMAOVHK-UHFFFAOYSA-N
-rxn:4:182372:223867,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cccc(OCCCN4CCC(C)CC4)c3)cc1C2=O,PGOWQCOTWJUJTL-RBVBKHBDSA-N
-rxn:4:182374:222746,CC(=O)c1cc2c(cc1-c1ccc(CNC(=O)OC(C)(C)C)cc1)C(C)(C)CCC2(C)C,FAFNDUOAYCAZQM-UHFFFAOYSA-N
-rxn:4:182376:224101,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(OCCN5CCC(C)CC5)c4)cc3C2=O)C[C@@H]1C,DSMFWLHNTBGCRO-ILXGQIOTSA-N
-rxn:4:182376:224153,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(N5CCCC5)cc(N5CCCC5)c4)cc3C2=O)C[C@@H]1C,PNLMFZUKDMSBID-MOEKIGNKSA-N
-rxn:4:183236:223508,O=C1CC2(CS(=O)(=O)C2)Oc2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc21,UEHXEPPODPXVMO-UHFFFAOYSA-N
-rxn:4:183272:227698,COc1ncc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1OC,ZMYZKDJCLASWFD-UHFFFAOYSA-N
-rxn:4:183272:228218,Fc1cnc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,RQROYSHEQPUIML-UHFFFAOYSA-N
-rxn:4:183272:228401,COc1c(F)ccc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,NGFQWPMEWDYGIO-UHFFFAOYSA-N
-rxn:4:183273:227730,Cc1nn(-c2nccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IUBWHRWMEFWFTN-UHFFFAOYSA-N
-rxn:4:183274:227626,c1cc2c(cc1-c1cnc(C3CCOC3)nc1)OCCOCCOCCOCCOCCOCCOCCO2,QTDYURHPGQWWQD-UHFFFAOYSA-N
-rxn:4:183274:227763,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c(F)c1Cl,QELHSDILJRYYOL-UHFFFAOYSA-N
-rxn:4:183379:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cc2c(c3c1OC(C)(C)C=C3)OC(C)(C)OC2=O,MRKBFRJGHZKLKP-UHFFFAOYSA-N
-rxn:4:183440:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc4c5c(ccc6c5c3CCC6)CCC4)cc21,RBINROIOZHZOBJ-UHFFFAOYSA-N
-rxn:4:183606:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(OCC(=O)OCc4ccccc4)cn3)cc2)CC1,XDZGCYYCWOQFHD-UHFFFAOYSA-N
-rxn:4:183626:223503,CC(C)(C)OC(=O)COc1ccc(C#N)cc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,DPJDJDDDYKNADZ-UHFFFAOYSA-N
-rxn:4:183668:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc3)cc2)CC1,CKJBURIINJGXMV-UHFFFAOYSA-N
-rxn:4:183673:224595,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(N3CCCC(C)C3)cc2OC)cc1OC(F)(F)F,OZETXWQPSIHPHH-UHFFFAOYSA-N
-rxn:4:183696:224072,COCCCOc1ccc2cc(-c3ccc(OC(F)(F)F)cc3OCC(=O)N3CCCC3)ccc2c1,DCGIQJQAZRVCFX-UHFFFAOYSA-N
-rxn:4:183711:223761,CCN(CC)Cc1cc(C(=O)OC)ccc1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,ILSJBWSKTYIRPD-UHFFFAOYSA-N
-rxn:4:183719:223748,CCN(CC)C(=O)COc1cc(C)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,XJYCSMUWGWITDF-UHFFFAOYSA-N
-rxn:4:183755:226507,CC(C)COc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC3CC3)c2)c(F)cn1,CBUMDKLOHKSCQN-UHFFFAOYSA-N
-rxn:4:183797:226239,CCCCN(C(=O)c1ccc(-c2ccc(C(=O)OCCC)cc2)o1)C1CCS(=O)(=O)C1,CNQQICSMKBOFKX-UHFFFAOYSA-N
-rxn:4:183862:224061,CCCC1CCC(c2ccc(-c3ccc(OCC4CCN(CC(=O)OC)CC4)cc3)c(F)c2)CC1,YXUOWJNEALPXFC-UHFFFAOYSA-N
-rxn:4:183862:225943,COC(=O)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCOCC4)s3)cc2)CC1,LWCIALSARFDRLH-UHFFFAOYSA-N
-rxn:4:183880:225555,CC(C)(C)OC(=O)c1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1,KZWYWYHKERTFRM-UHFFFAOYSA-N
-rxn:4:183902:222854,COc1ccc(C2CCCNC2)cc1-c1cccc(F)c1OCCCN1CCC(OC)CC1,LQXYVNFIBHVQPC-UHFFFAOYSA-N
-rxn:4:183908:223992,CCCCN(C(=O)c1cccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1)C1CCS(=O)(=O)C1,ZAMBKTGGYIOFLH-UHFFFAOYSA-N
-rxn:4:183970:222601,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cccc4sc(NC(=O)OC(C)(C)C)nc34)ccc2OC)CC1,YFBYDNBJOYJEAF-UHFFFAOYSA-N
-rxn:4:184004:224817,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccccc4S(=O)(=O)N4CCOCC4)cc3)SC2=S)cc1OC,LVLCUOAWOSSOBU-UHFFFAOYSA-N
-rxn:4:184016:225304,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2cc(C(F)(F)F)cnc2C(C)(C)C)CC1,PRKAUSGZRXIANP-UHFFFAOYSA-N
-rxn:4:184019:225775,COC(=O)c1cc(-c2c(C)cc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)cc(OC)c1C,ACPZMMKJDIOMMC-UHFFFAOYSA-N
-rxn:4:184025:222582,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cccc(C(=O)NCCN4CCOCC4)c3)ccc2Cl)CC1,VQHKSUJUMYOVOC-UHFFFAOYSA-N
-rxn:4:184033:225380,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2)C1,WAXNZYOGPIWQGB-UHFFFAOYSA-N
-rxn:4:184034:222796,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cc(S(=O)(=O)NC(C)(C)C)ccc3C)c(C)cc2OC)CC1,AWDZXVOTAMCUOH-UHFFFAOYSA-N
-rxn:4:184040:225310,O=C(c1ccccc1-c1cc(C(F)(F)F)c(Cl)cc1C1CC1)N1CCC(COCc2ccc(F)cc2)CC1,SSSAGGVDSSIZEB-UHFFFAOYSA-N
-rxn:4:184053:226131,CN(Cc1cc(-c2ccccc2CN2CCCC2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,MWPTWGFCAOIZOJ-UHFFFAOYSA-N
-rxn:4:184085:224799,Cc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1cc(OC(C)C)cc(OC(F)(F)F)c1,PRXXYBOZTYQIMG-UHFFFAOYSA-N
-rxn:4:184096:224417,CC1(C)CCC(N(Cc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)C(=O)OC(C)(C)C)CC1,CETVURINWVFILJ-UHFFFAOYSA-N
-rxn:4:184103:224318,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)ccc21,HVCYKAOZSRYXME-UHFFFAOYSA-N
-rxn:4:184131:224964,COC(=O)c1cc2ccc(-c3ccc(COC4CCOCC4)cc3)cc2n1CC(=O)OC(C)(C)C,NFDCBJJNQYHQKB-UHFFFAOYSA-N
-rxn:4:184138:222709,COc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1-c1cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c1,HSJYNIGPLFCNOK-UHFFFAOYSA-N
-rxn:4:184151:222543,CCOC(=O)c1c(S(C)=O)n(C2CC2)c2c(OC)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)ccc2c1=O,BACCINJJSPMLMS-UHFFFAOYSA-N
-rxn:4:184158:225603,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cccc(C4(C#N)CCC4)c3F)cc1)C2=O,QZNAGFDYBXBEBS-UHFFFAOYSA-N
-rxn:4:184183:226283,COc1ccc(-c2cc(OCC(C)C)ccc2F)cc1CCC(=O)N1C2CCC1CC(SC)C2,WEFCMMUKFWYTTQ-UHFFFAOYSA-N
-rxn:4:184347:224015,CCOC(=O)C(C#N)c1ccc(F)cc1-c1cc(S(=O)(=O)N2CCOCC2)c(C)cc1F,BOBUOVKAQVBUFP-UHFFFAOYSA-N
-rxn:4:184392:223998,COC(=O)Cc1c(C(F)F)ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c1C#N,XCNBCHRFTBCALR-UHFFFAOYSA-N
-rxn:4:184552:222543,COC(=O)C(C)Oc1cc(C#N)ccc1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,SQAHOKCHADUERF-UHFFFAOYSA-N
-rxn:4:184745:225222,CC1CCCCN1c1cc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)F)c2)c(F)cn1,DHKRLFLPZTVTDO-UHFFFAOYSA-N
-rxn:4:184745:225516,CN(C)CCCOc1ccc(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)F)c2)cc1,BQJMWLDPOJUBMW-UHFFFAOYSA-N
-rxn:4:184915:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc(CN4CC(C(=O)OC)C4)cc(OC)c3)c2)C1,QDBRCJNBOHEFGO-UHFFFAOYSA-N
-rxn:4:184948:224705,CC1CCN(c2ccc(-c3c(Cl)cccc3CN(C)C(=O)OC(C)(C)C)c(F)c2F)CC1,ZSROHPHGFFZUAB-UHFFFAOYSA-N
-rxn:4:184989:224716,CC(C)COc1cc(-c2ccc(N(C)C(=O)OC(C)(C)C)nc2)ccc1C(=O)N1CCC1(F)F,DFJWRNHTYRTMDF-UHFFFAOYSA-N
-rxn:4:185054:224059,COc1c(-c2cccc(OCCN3CCCC(C(F)(F)F)C3)c2)cc(C(C)(C)C)cc1C(C)(C)C,FAZWLQYCDKFVKB-UHFFFAOYSA-N
-rxn:4:185113:227541,CCOc1cc(F)c(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc1F,NQIXLWYSWSTRMY-UHFFFAOYSA-N
-rxn:4:185136:222852,OC1CCN(Cc2cccc(-c3ccccc3CCCN3CCC(C(F)(F)F)CC3)c2)CC1,RDRBSIIMDUSVLV-UHFFFAOYSA-N
-rxn:4:185138:224424,CCCC1CCC(c2ccc(-c3ccc(F)c(CCN4CCC(C(=O)OC)CC4)c3)cc2)CC1,OSCZWIPNHKXDRD-UHFFFAOYSA-N
-rxn:4:185147:222538,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)C1,LKWYVFGEODUCEF-UHFFFAOYSA-N
-rxn:4:185155:225294,CCN1CCN(c2ncc(-c3ccc(C(=O)OC)c(CN4CCC(C(F)(F)F)CC4)c3)cn2)CC1,JWDOOPOANXYJFO-UHFFFAOYSA-N
-rxn:4:185198:225394,COC(=O)c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1CN1CCC(OC)CC1,NHBRGHUSMAAOEX-UHFFFAOYSA-N
-rxn:4:185206:222905,COc1cc(-c2cccnc2NC(=O)OC(C)(C)C)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,WZWQHCXPMKUWPA-UHFFFAOYSA-N
-rxn:4:185240:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cccc(OCC3CCN(CC4CC4)CC3)c2)c1F,UZLAUXZPSNTZKF-UHFFFAOYSA-N
-rxn:4:185240:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cccc(OCC2CCN(CC3CC3)CC2)c1,ZJENCDFTWVLVSQ-UHFFFAOYSA-N
-rxn:4:185241:224960,COc1ccc(-c2cccc(CN3CCCCC3)c2OCC2CC2)cc1OC1CCCC1,ZSJYRCBTODUSON-UHFFFAOYSA-N
-rxn:4:185267:223139,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(C4CCNCC4)nc3)c2)CC1,TXEWTYPBPZMEJF-UHFFFAOYSA-N
-rxn:4:185277:223969,CCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(-c3cc(C(F)(F)F)ccc3N3CCC(C)CC3)cc2)cc1,PGSMGFMXMKUOLU-UHFFFAOYSA-N
-rxn:4:185327:223896,COc1cccc(-c2ccc(C(=O)C(CN3CCOCC3)c3ccccc3)cc2)c1C(=O)N(C(C)C)C(C)C,ICNHRZAMXDLUMY-UHFFFAOYSA-N
-rxn:4:185333:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(N(C(=O)Cc2cccc(C)c2)C2C=CS(=O)(=O)C2)cc1,FTKQQQWEJOIQKU-UHFFFAOYSA-N
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-rxn:4:185356:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(F)c(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,HWPFHVTYIPLIIU-UHFFFAOYSA-N
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-rxn:4:187641:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1,BKJDUUVYHCVFCN-UHFFFAOYSA-N
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-rxn:4:187651:225195,COc1ccc(-c2ccc(F)c(OC3CCCCO3)c2)c(C(=O)N2CCSC(c3ccccc3F)CC2)c1,PCWMZTDDAKSBPK-UHFFFAOYSA-N
-rxn:4:187672:226230,COCCOCc1ccc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)cc1,MQFQQSVBGXBJAA-UHFFFAOYSA-N
-rxn:4:187689:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)c(F)c2)CC1,WWFCHCUFDHFWHT-UHFFFAOYSA-N
-rxn:4:187693:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c(F)c1,WFIXCKWSESGABR-UHFFFAOYSA-N
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-rxn:4:187916:225683,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C2CCCOC2)nc1C,CTDKNKSABPNUDN-UHFFFAOYSA-N
-rxn:4:187938:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(CN3C=Cc4cc(OC)c(OC)cc4CC3=O)cc2)c1,GXFKEZHXQIFRSM-UHFFFAOYSA-N
-rxn:4:187945:224420,COC(=O)C1=Cc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc2N(CC(C)C)CCC1,SZZGGNUSWAMHRW-UHFFFAOYSA-N
-rxn:4:187971:223886,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc21,WRDCYQHJJZQDON-UHFFFAOYSA-N
-rxn:4:187985:223265,CC(=O)Nc1ccc(Cl)cc1-c1ccc(C23CCOCC2N(C(=O)OC(C)(C)C)CC3)cc1,JANSLCYWHQKNPZ-UHFFFAOYSA-N
-rxn:4:189218:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(F)c2C(=O)ON2C(=O)CCC2=O)cc1,BLSBDHLOUWGMIF-UHFFFAOYSA-N
-rxn:4:189345:222466,CN(C(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(F)c1)C1CC1,QYGFPYSDRWYTCM-UHFFFAOYSA-N
-rxn:4:189380:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C(F)(F)F)cc1C(=O)N1CCC1,KDFSJKRQSTYLJF-UHFFFAOYSA-N
-rxn:4:189605:222724,COc1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1C=C1N=C(SC)SC1=O,PRBWUYIQZZTQRO-UHFFFAOYSA-N
-rxn:4:189865:225174,COc1c(Cl)cc(C(=O)N2CCC(F)(F)C2)cc1-c1ccc(F)cc1CN1CCOCC1,DMUQIPDNXNFNAS-UHFFFAOYSA-N
-rxn:4:189867:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,UXJPDBICYAHSGV-UHFFFAOYSA-N
-rxn:4:189989:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(CN4CCOCC4)c3OC)c2)CC1,RTPVPYHRZAVZDC-UHFFFAOYSA-N
-rxn:4:190075:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(C(=O)N4CCCC(C(F)(F)F)C4)cc3F)cc2)CC1,BDNYJQMAOAKTLZ-UHFFFAOYSA-N
-rxn:4:190085:223598,O=C(c1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cccc1C(F)(F)F)N1CCC(F)(F)CC1,AQPPQOLNAIYKTP-UHFFFAOYSA-N
-rxn:4:190109:224377,COC(=O)c1ccc(N2CCCCC2)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,TWZVHYMKVOQPRP-UHFFFAOYSA-N
-rxn:4:190153:223597,COc1c(Cl)cc(C(=O)N2CCC(F)CC2)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,YSEFFKJEXZNKHK-UHFFFAOYSA-N
-rxn:4:190174:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(S(=O)(=O)N4CCCC(C(F)(F)F)C4)c(F)cc3F)cn2)CC1,IBUKYKHURFCODK-UHFFFAOYSA-N
-rxn:4:190227:222514,COc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCOCC2)cc1S(=O)(=O)NC1CCCCC1,XLSMHDKRPHPVDD-UHFFFAOYSA-N
-rxn:4:190238:224404,COC1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c(F)cc2F)CC1,DREXMXNDQMDUKP-UHFFFAOYSA-N
-rxn:4:190259:223491,COc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc(N2CCC(OC)CC2)c1,ARVOOKCDXZXXFY-UHFFFAOYSA-N
-rxn:4:190287:225938,CC(=O)N1CCC(c2ccc(-c3cc(C(F)(F)F)ncc3C3CC3)cc2C(F)(F)F)CC1,KQMVBDTZAKFQMM-UHFFFAOYSA-N
-rxn:4:190327:222706,CS(=O)(=O)c1ccc(CN2CCCCC2)c(-c2cc(C3CCNCC3)ccc2C(F)(F)F)c1,LRBBALVPKNTERZ-UHFFFAOYSA-N
-rxn:4:190330:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCCN4S(=O)(=O)C(C)C)cc3)c(F)ncc21,ZYDVBDHJNARQFI-UHFFFAOYSA-N
-rxn:4:190363:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c(CN2CCC(C)CC2)c1,SOBBJGNZFCMEPS-UHFFFAOYSA-N
-rxn:4:190377:224248,COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,ILYGKZOFHMUFDG-UHFFFAOYSA-N
-rxn:4:190383:224586,CC1CCN(Cc2ccc(F)cc2-c2ccccc2N2CCCC(C(=O)C(C)C)C2=O)CC1,GKZNHIXNSLPDFV-UHFFFAOYSA-N
-rxn:4:190425:224810,Cc1cc(S(=O)(=O)N2CCCC2)c(C(C)C)cc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,KUXPSRHGMTVMLD-UHFFFAOYSA-N
-rxn:4:190433:226364,Cc1cc(-c2ccc(N3CCCCC3)nc2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,REEDOUGSQPCAKY-UHFFFAOYSA-N
-rxn:4:190461:223846,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCSC(c4ccccc4F)CC3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,UFLYHXZKJNHIGL-UHFFFAOYSA-N
-rxn:4:190496:222773,CC1CCN(Cc2cc(-c3ccc(C(=O)NC4CCOCC4)cc3)cc(C(C)(C)C)c2)CC1,QLOOGWJNJMKJSS-UHFFFAOYSA-N
-rxn:4:190548:223754,CC1CCN(CCCOc2ccc(-c3cc(Cl)cc4c(OS(=O)(=O)C(F)(F)F)ccnc34)cc2Cl)CC1,PZSJIGRKZQZXAM-UHFFFAOYSA-N
-rxn:4:190780:223844,CCCCN1C(=O)C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc(C)c21,UIEBBQFXNQVUEC-UHFFFAOYSA-N
-rxn:4:190829:223598,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc21,UBOFBYAXBDVBTF-UHFFFAOYSA-N
-rxn:4:190855:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2scc3c2CCN(C(=O)OC(C)(C)C)C3)c1,WTTJQJIKXUBRJT-UHFFFAOYSA-N
-rxn:4:190865:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)c1,XQPQVFOETVQYDN-UHFFFAOYSA-N
-rxn:4:190867:222845,CC(c1ccc(-c2ccccc2CC(=O)N2CC3CC2CS3(=O)=O)cc1)N1CCNCC1,RWHZNKQLEYLETK-UHFFFAOYSA-N
-rxn:4:190956:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1,GAHHXDKXJDKVCJ-GOSISDBHSA-N
-rxn:4:190960:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3)cc1,YTFPRGXVKSNNOE-UHFFFAOYSA-N
-rxn:4:190972:223918,CN(C(=O)c1ccc(F)c(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)c1)C1CCCCC1,SCOGAVLEIVMFAI-UHFFFAOYSA-N
-rxn:4:190975:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)cc1,ILHPIXOMJNNFRD-UHFFFAOYSA-N
-rxn:4:191006:225943,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)cc1,GSRHDQLFLIOFEI-UHFFFAOYSA-N
-rxn:4:191008:224488,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1)C(C)C,UGFRCHKGPCFBJS-UHFFFAOYSA-N
-rxn:4:191038:223845,CC1c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2CCN1C(=O)OC(C)(C)C,YJOKETAXOOKEGT-UHFFFAOYSA-N
-rxn:4:191039:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,ULULQSSTXMVGJT-UHFFFAOYSA-N
-rxn:4:191056:223653,COc1cc2cc(-c3ccc4c(c3)C(C)N(C(=O)OC(C)(C)C)CCO4)n(C(=O)OC(C)(C)C)c2cc1Cl,LGKNHTLJQBPWMU-UHFFFAOYSA-N
-rxn:4:191058:224930,CCN(CC)Cc1cc(-c2ccc3c(c2)CCC3N2CCC(C(=O)OC)CC2)ccc1OC,SPTSYPHXGQSZPL-UHFFFAOYSA-N
-rxn:4:191058:225613,COC(=O)C1CCN(C2CCc3cc(-c4ccnc(OC5CCCCC5)c4)ccc32)CC1,OKFKOJDEHIWAOS-UHFFFAOYSA-N
-rxn:4:191058:225881,COC(=O)C1CCN(C2CCc3cc(-c4ccc(C5CCOCC5)nc4F)ccc32)CC1,DAZDBTDSQIBYMK-UHFFFAOYSA-N
-rxn:4:191062:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c(F)ccc21,GPOUSQOPGPRRCW-UHFFFAOYSA-N
-rxn:4:191062:226923,Cc1cc(C2CC2)c(C)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,LZUDOUJWWNBKCG-UHFFFAOYSA-N
-rxn:4:191063:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)OC3(CC4=O)CN(C(=O)OC(C)(C)C)C3)cc21,KBKJYCZTXOHSAQ-UHFFFAOYSA-N
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-rxn:4:200721:226043,COc1c(F)cc(Cl)c(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1[N+](=O)[O-],FISCOYGKZSQNCG-UHFFFAOYSA-N
-rxn:4:200724:224686,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2Cl)CC1,WNWZUDNQJZGQPO-UHFFFAOYSA-N
-rxn:4:200735:228925,CSc1cnc(F)c(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2C(=O)OC(C)(C)C)c1,JREVPUCHKGXONE-UHFFFAOYSA-N
-rxn:4:200745:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(C(=O)OC(C)(C)C)cc(C3=NOC(c4ccccn4)C3)c2)c1,AZYHHWDLEWIWNF-UHFFFAOYSA-N
-rxn:4:200760:223123,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(NC(=O)C(C)C)cc1,DYYUQHDMRGCRNB-UHFFFAOYSA-N
-rxn:4:200811:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(C)(C)C)ccc1OCC(=O)N1CCN(C)CC1,YGSRXUAUFQTHRV-UHFFFAOYSA-N
-rxn:4:200827:226562,CCOc1c(F)cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c(F)cc2F)cc1OC,OXYLKZAPZNDPLN-UHFFFAOYSA-N
-rxn:4:200854:228681,COC(=O)C1CCCN(Cc2ccc(-c3ccnn3CC3CC3)cc2N2CCOCC2)C1,GGAJIKMKZZBXRZ-UHFFFAOYSA-N
-rxn:4:200863:223638,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,DEPXHWVRMZRJAS-GMMLNUAGSA-N
-rxn:4:200863:225760,CCN(C)C(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C)c(F)c1,KLVIBDPVYOXJEV-FQEVSTJZSA-N
-rxn:4:200884:226437,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cc(C4CCCC4)ncc3F)cc1)C2,LJKVJMPNDBDPSA-UHFFFAOYSA-N
-rxn:4:201032:222976,CCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3ccc(C(=O)NC4CC4)c(C)c3)ccc21,MTPSVWDHUHCLBY-UHFFFAOYSA-N
-rxn:4:201032:226553,CCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3cccc(OC)c3C(=O)OC)ccc21,LPASYMNFVICODB-UHFFFAOYSA-N
-rxn:4:201051:224377,COc1ccc2oc(C(=O)N3CCC(Oc4ccc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)cc5)cn4)C3)cc2c1,YGCHNSTWVRVXNE-UHFFFAOYSA-N
-rxn:4:201089:225294,CCN1CCN(c2ncc(-c3ccc4sc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4c3)cn2)CC1,QWWDTEMUZZMWTP-UHFFFAOYSA-N
-rxn:4:201091:225909,CCOc1ccc(-c2cc(OC)c3oc(=O)c(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3c2)c(C(F)(F)F)c1,CWEQMQUVKTYUPO-UHFFFAOYSA-N
-rxn:4:201101:224177,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cc(Cl)c(OC(C)C)c(OCC(C)C)c3)cc2)N2C(=O)C(C)SC2=N1,OUSCFQHEJAMSMV-UHFFFAOYSA-N
-rxn:4:201113:224183,COc1ccc(COc2ccc(-c3ccc(OC)c(C4C(C(=O)OC(C)C)=C(C)N=C5SCCC(=O)N54)c3)cn2)cc1,UQOCQDGYWYZSHQ-UHFFFAOYSA-N
-rxn:4:201121:223055,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccc(N3CCNCC3)nc2C)N2C(=O)CCSC2=N1,BUWAXGJZFOAIEG-UHFFFAOYSA-N
-rxn:4:201132:226308,CCc1cc(-c2ccc3c(CC(=O)N(C)C4CCN(C)CC4)c(OC)ccc3c2)ccc1C(=O)OC,ZANMZTNUHJTANV-UHFFFAOYSA-N
-rxn:4:201142:222935,CCc1cc2cc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cnc2n1[Si](C(C)C)(C(C)C)C(C)C,DYAUBLROVADAQJ-UHFFFAOYSA-N
-rxn:4:201171:223775,COc1ccc2c(c1)c(-c1ccc(CSC3=NCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc1)cn2C(=O)OC(C)(C)C,KOAVRIMYKLBZJL-UHFFFAOYSA-N
-rxn:4:201254:223533,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1C#N,AGXMYPHRYFIDDU-UHFFFAOYSA-N
-rxn:4:201266:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(C(=O)OC)c([N+](=O)[O-])cc3C#N)c2)CC1,LMEGDIPBWVDRGV-UHFFFAOYSA-N
-rxn:4:201400:223699,CCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)n(CC)c1C,AAEDWAZMGWLWKU-UHFFFAOYSA-N
-rxn:4:201601:223974,CC1CCN(c2ccc(-c3ccc(OCCN4CCOCC4)nc3)c(C(F)(F)F)c2)CC1,BCUOVOALCAOQRI-UHFFFAOYSA-N
-rxn:4:201621:222628,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,CRYANSDVPCPVDD-UHFFFAOYSA-N
-rxn:4:201646:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)n(CC4CCOCC4)n3)c(F)c2)CC1,NNWMQGBJDSGKTD-KESTWPANSA-N
-rxn:4:201646:224570,COC(=O)c1cc(-c2ccc(C(C)N3CCN(C)CC3)cc2)nn1CC1CCOCC1,WLNZWGTVRJTZFQ-UHFFFAOYSA-N
-rxn:4:201646:224667,COC(=O)c1cc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)nn1CC1CCOCC1,HYLFVBBQVRGLNG-UHFFFAOYSA-N
-rxn:4:201693:222584,CCOC(=O)c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1N1CCOCC1,CMXLXJSMCHGLMZ-UHFFFAOYSA-N
-rxn:4:201777:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)C3)n2)cc1,POENUZRYMKCGCA-UHFFFAOYSA-N
-rxn:4:201821:224153,O=C(c1cncc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1,KRWHJUCJIJIQRF-UHFFFAOYSA-N
-rxn:4:201836:225977,CC(C)(C)OC(=O)N1CCOC(c2nc(-c3cc(Cl)cnc3N3CCOCC3)cs2)C1,SHXOABLOGVJEBS-UHFFFAOYSA-N
-rxn:4:201837:222546,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)s2)C1,YZDHEACNSWZKLN-UHFFFAOYSA-N
-rxn:4:201862:223239,COc1cc(N2CCC(C(F)(F)F)CC2)c(-c2cncc(C3CCCN3)c2)cc1[N+](=O)[O-],GNXHAGNTRAVOTJ-UHFFFAOYSA-N
-rxn:4:201906:227468,CCN(CC)c1ncc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)cn1,NQLAOHABRUWUMS-UHFFFAOYSA-N
-rxn:4:201906:228293,COc1ccc(-c2cnn(CCN(C)C)c2)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,HQIGNMLRZUBCIB-UHFFFAOYSA-N
-rxn:4:201939:223743,Cc1ccc(-c2ccc(OCC(=O)N3CCN(C)CC3)c(C)c2)cc1OCCCN1CCC(C)CC1,ZWVRRYSUHXEBIF-UHFFFAOYSA-N
-rxn:4:201953:225607,COC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)ccc1CN1CCN(C)CC1,FYNQOIDZHICKBO-UHFFFAOYSA-N
-rxn:4:201979:227468,CCN(CC)c1ncc(-c2ccc(OC)cc2C(=O)N2CCC(N3C(=O)COC3=O)C2)cn1,PUQFZUFLOJCQCR-UHFFFAOYSA-N
-rxn:4:201993:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)cc1F,HNORCFOJELISCK-UHFFFAOYSA-N
-rxn:4:201993:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)s2)CC1,AGUNMWNSRNDQOM-UHFFFAOYSA-N
-rxn:4:201995:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccnc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c1,XYXVYUDHVMDKTM-UHFFFAOYSA-N
-rxn:4:202004:223063,CCOc1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,AFAYADGVDBOVAB-UHFFFAOYSA-N
-rxn:4:202020:225979,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cnc(N3CCOCC3)c(Cl)c2)C1,VIJXVXMEPQXELK-UHFFFAOYSA-N
-rxn:4:202062:224863,CCOC(=O)C1CCC(n2nc(C)c(-c3ccccc3CN(C(C)C)C(C)C)c2C)CC1,RXAKSYSQCPBMOZ-UHFFFAOYSA-N
-rxn:4:202065:225276,CCCOc1cc(-c2cc(OC)c(CN3CCN(C)CC3)c(OC)c2)ccc1C(F)(F)F,OGOZDLQXQALINA-UHFFFAOYSA-N
-rxn:4:202078:222742,Cc1cc(OC2CCN(C(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)o3)C2)cc(=O)n1C,DBGNUZRUZZFTDM-UHFFFAOYSA-N
-rxn:4:202117:223599,CC(C)(C)OC(=O)n1c(-c2cnccc2OC2CCN(CC3CCCCO3)C2)cc2cc(C(F)(F)F)ccc21,MYMFCQOWLAZSNM-UHFFFAOYSA-N
-rxn:4:202117:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnccc1OC1CCN(CC2CCCCO2)C1,UYTQSEFSWYCOFW-UHFFFAOYSA-N
-rxn:4:202167:225784,O=S(=O)(C1CC1)N1CCCN(Cc2ccc(-c3ccc(CN4CCOCC4)nc3)cc2)CC1,JSQTUSPHPNXVMS-UHFFFAOYSA-N
-rxn:4:202170:225372,O=C(C1CN(Cc2ccccc2-c2cc(F)c(OCC(F)(F)F)c(F)c2)CCO1)N1CCCC1,ALOHIQLYNCMUDE-UHFFFAOYSA-N
-rxn:4:202215:225008,COc1ccc(-c2ccc(N3CCC(OC)CC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,RRGJEWMQOJZCJM-UHFFFAOYSA-N
-rxn:4:202275:223712,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCC(OC)C4)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,CKBWTTBYYCQXQH-UHFFFAOYSA-N
-rxn:4:202284:223077,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1CN1CCC(N2CCCC2)CC1,YXNZLGWTFZKAGB-UHFFFAOYSA-N
-rxn:4:202284:226117,COc1ccc(-c2ccc(OCC(C)C)c(C)c2)cc1CN1CCC(N2CCCC2)CC1,JNXRJEZYGNZZHN-UHFFFAOYSA-N
-rxn:4:202284:226419,COc1ccc(-c2ccc(N3CCCC3)cc2Cl)cc1CN1CCC(N2CCCC2)CC1,IEIFIUDQKZGRLV-UHFFFAOYSA-N
-rxn:4:202284:226425,COc1ccc(-c2ccc(N3CCCCC3C)s2)cc1CN1CCC(N2CCCC2)CC1,PHMNYTZZDWZDOQ-UHFFFAOYSA-N
-rxn:4:202284:226508,COc1ccc(-c2ccc(OCC3CC3)nc2F)cc1CN1CCC(N2CCCC2)CC1,PYCONCPKJCWGFN-UHFFFAOYSA-N
-rxn:4:202285:225182,COC1CCN(Cc2ccc(-c3ccnc(OC4CCCCC4)c3Cl)cc2N2CCCC2)CC1,ZUCUNDBUDIXXQW-UHFFFAOYSA-N
-rxn:4:202285:225499,COC1CCN(Cc2ccc(-c3ccc(C4CCCCC4)cc3F)cc2N2CCCC2)CC1,AEGPZDUPBVYZFO-UHFFFAOYSA-N
-rxn:4:202303:225318,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1c(F)cc(N2CCOCC2)cc1F,GCJXNJUSJYOPRL-UHFFFAOYSA-N
-rxn:4:202311:222883,CC(C)(C)NC(=O)c1ccc(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)c(Cl)c1,CPDTVVXHORDGNR-UHFFFAOYSA-N
-rxn:4:202313:224764,O=C(c1ccc(-c2ccccc2CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1)N1CCOCC1,YKDFXACRPIVXBD-UHFFFAOYSA-N
-rxn:4:202313:225297,O=C(C1CCN(Cc2ccccc2-c2cccc(S(=O)(=O)N3CCCC3)c2)CC1)N1CCC(F)(F)CC1,UKFUVKCUFJTRCA-UHFFFAOYSA-N
-rxn:4:202330:225859,COc1ccc(-c2cnc(N3CCCCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,FWSQWEBCCNFOIP-UHFFFAOYSA-N
-rxn:4:202340:227502,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(OC(C)C)c(Cl)c4)o2)CC3)ccc1F,GFZAVTBQPUUAFA-UHFFFAOYSA-N
-rxn:4:202347:226891,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cc(C(F)(F)F)cc(F)c4F)c2)CC3)cc1,QJUUYPGQNJKOBQ-UHFFFAOYSA-N
-rxn:4:202373:223503,CCOC(=O)Cn1ncc2cc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)ccc21,VWUDBPNHQPONIM-UHFFFAOYSA-N
-rxn:4:202394:223608,CCOC(=O)c1c(C(F)(F)F)[nH]c2ncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cc12,KODVORJASBSMRQ-UHFFFAOYSA-N
-rxn:4:202518:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1,RBNMDJXNWVAGQF-IBGZPJMESA-N
-rxn:4:202518:223018,CC(C)[C@H]1c2nc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)sc2CN1C(=O)OC(C)(C)C,FMVBYSQSIFJBNA-SFHVURJKSA-N
-rxn:4:202518:223993,Cc1cc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)ccc1S(=O)(=O)N1CCN(C)CC1,OBKAEZAALQVZIW-QFIPXVFZSA-N
-rxn:4:202607:222740,CCOC(=O)c1cnc2c(-c3cc(C(C)C)nc(C4CCCNC4)c3)cccc2c1N1CCC(F)(F)CC1,CYBYAOCLIGSMFY-UHFFFAOYSA-N
-rxn:4:202647:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(S(=O)(=O)N2CCC(Oc3cccc4cccnc34)C2)cc1,BXEYNMHQQNGZBC-UHFFFAOYSA-N
-rxn:4:202648:222704,O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Oc2ncccc2-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)C1,USWQZURCPMZWKK-UHFFFAOYSA-N
-rxn:4:202660:225212,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(F)cc(N4CCN(C)CC4)c3)ccc21,QXSYXNLKCGMSSH-UHFFFAOYSA-N
-rxn:4:202675:222639,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c2cccnc21,INLSEUJYVKWCTR-QFIPXVFZSA-N
-rxn:4:202680:223836,COc1ncnc2c1cc(-c1cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c1Cl)n2C(=O)OC(C)(C)C,CJRUMGBMBVMKOQ-UHFFFAOYSA-N
-rxn:4:202711:222906,C[C@H]1CC[C@H](c2ccc3sc(-c4cnccc4NC(=O)OC(C)(C)C)nc3c2)N(C(=O)OC(C)(C)C)C1,QVESWMZPXSNKFR-HTAPYJJXSA-N
-rxn:4:202711:224268,C[C@H]1CC[C@H](c2ccc3sc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)nc3c2)N(C(=O)OC(C)(C)C)C1,NURYTIWXORRLCN-FDDCHVKYSA-N
-rxn:4:202714:225768,COc1cc(-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)cc(Cl)c1OC(C)C,MZHSBNXYNJRDDV-UHFFFAOYSA-N
-rxn:4:202750:224285,CC1CCN(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc2)CC1,CVSSDMYDLQLBLF-UHFFFAOYSA-N
-rxn:4:202750:225940,CC1CCN(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cnc3C3CC3)cc2)CC1,HFLODIJGPMKBBN-UHFFFAOYSA-N
-rxn:4:202796:224381,CC(=O)OCc1c(-c2ccc(-n3cnc(C)c3)c(C(F)(F)F)c2)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O,DXASRYMHGUUXQT-UHFFFAOYSA-N
-rxn:4:202800:223238,CC#Cc1cc2c(c(F)c1-c1cccc(-c3cn[nH]c3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,MDUWAVJUEMDMAK-XMMPIXPASA-N
-rxn:4:203559:222439,CN(Cc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cn1)C1CCC1,BFJUKODDWQTWTI-UHFFFAOYSA-N
-rxn:4:203588:223712,COC(=O)c1ncc(N2CCCC2)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,SZTQTZGFRXNPBS-UHFFFAOYSA-N
-rxn:4:203650:223698,N#CC1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)c(F)c2)CC1,MNZFVLXDPORVRN-UHFFFAOYSA-N
-rxn:4:203692:224771,Cc1ccc(-c2ccc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCCC1,FUVIARJPNJHDMB-UHFFFAOYSA-N
-rxn:4:203694:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C#N)c(N2CCC(C(F)(F)F)CC2)c1,IAYQKVPTBNCCTA-UHFFFAOYSA-N
-rxn:4:203694:224761,N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1N1CCC(C(F)(F)F)CC1,XKJZSVMQFLMIKD-UHFFFAOYSA-N
-rxn:4:203694:224770,Cc1cc(-c2ccc(C#N)c(N3CCC(C(F)(F)F)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,IGIMYOSQZZTGBE-UHFFFAOYSA-N
-rxn:4:203703:225732,CCOC(=O)Cc1ccc(-c2cnc(C(=O)N3CCC(C(F)(F)F)CC3)c(Cl)c2)cc1F,FVIRYKBSSMXFMX-UHFFFAOYSA-N
-rxn:4:203712:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,PJMXPMIOGWYYDY-UHFFFAOYSA-N
-rxn:4:203827:225089,CCCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c(F)c1F,RQXMCSQUJMXJEP-UHFFFAOYSA-N
-rxn:4:203841:226089,CCN(CC)Cc1ccccc1-c1ccc(C(=O)N2CCC(N3C(=O)COC3=O)C2)cc1,YDJQUIWBPXEPRN-UHFFFAOYSA-N
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-rxn:4:204147:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2C)c(N2CCCC2)c1,KAJBCYAESQCZNG-UHFFFAOYSA-N
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-rxn:4:205279:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccccc2C2(C(F)(F)F)N=N2)C1,YVXHDGHXRHJGKM-UHFFFAOYSA-N
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-rxn:4:206595:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(N3CCCCC3)c2C#N)CC1,CDSNVQGJWAWIKI-UHFFFAOYSA-N
-rxn:4:206617:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(N=S3(=O)CCCC3)c([N+](=O)[O-])c2)c1,WYYIPNKBVARWLB-UHFFFAOYSA-N
-rxn:4:206622:223482,O=C(c1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1)N1CCC(F)(F)CC1,GLCDCWPXZMUVMO-UHFFFAOYSA-N
-rxn:4:206717:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1cncc(CN2CCC(F)(F)CC2)c1,CTLLFODLXRDREL-UHFFFAOYSA-N
-rxn:4:206741:224818,O=[N+]([O-])c1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)ccc1N1CCCC(F)(F)C1,LDHUKMZMNGGELC-UHFFFAOYSA-N
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-rxn:4:206759:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,ITLQWEWLIBLCTO-UHFFFAOYSA-N
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-rxn:4:206780:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3nc(C4CCCC4)cc(C4CC4)n3)c(F)c2)CC1,ZAZCPOFKEDIVQJ-MEMLXQNLSA-N
-rxn:4:206797:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,GHKJXHDRULMQCD-UHFFFAOYSA-N
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-rxn:4:206962:222694,CS(=O)(=O)N1CCCC(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)C1,IFPUELXMLRCNMV-UHFFFAOYSA-N
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-rxn:4:206991:224460,CN(C)C=C1C(=O)N(c2ccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)cc2)CS1(=O)=O,YNOUAKQYMUCHBS-UHFFFAOYSA-N
-rxn:4:207575:222465,CCn1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1C12CCCCC1O2,IAARWLUCTHWBEV-UHFFFAOYSA-N
-rxn:4:207685:224197,CCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)c4ncn(C5CCCCO5)c4c3)cc2F)CC1,KCXPVMVCTNBUEH-UHFFFAOYSA-N
-rxn:4:207770:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc4c(c3)C(=C3SC(=S)N(CC)C3=O)C(=O)N4CC)cc2)cc1,PZZDJYYYGCFPDA-UHFFFAOYSA-N
-rxn:4:207846:222827,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)ccc21,LXJSJJCEGVVRHK-UHFFFAOYSA-N
-rxn:4:207890:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)CC1,ICSSBWYDTIOBLJ-UHFFFAOYSA-N
-rxn:4:209506:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccnc(N4CCC(F)(F)C4)c3)ccc2OC)CC1,VNNOXXASIQXMNS-UHFFFAOYSA-N
-rxn:4:209555:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cncc(N4CCC(F)(F)C4)c3)cc12,GFIBNIUGDZCPEI-UHFFFAOYSA-N
-rxn:4:209752:223660,CC1CCCN1c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1,RUXYUOBLBNHTIR-UHFFFAOYSA-N
-rxn:4:209852:223648,CC1CCCCN1c1cncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,AJESOTVWJUXNSE-UHFFFAOYSA-N
-rxn:4:209893:223712,COc1ccc(-c2cc(N3CCN(C)CC3)ccc2C)cc1C12CC3CC(CC(C3)C1)C2,BYNCFVRBOMYFQE-UHFFFAOYSA-N
-rxn:4:211056:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(N3CCN(C)CC3)CC4)c(F)c2)CC1,SENCHQLNEHIUPW-UHFFFAOYSA-N
-rxn:4:211061:225173,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3ccc(C(=O)N4CCCC4)cc3F)ccc21,ORRHBWNYOZHYMP-UHFFFAOYSA-N
-rxn:4:212419:222389,CN1Cc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2N(C)S1(=O)=O,XMFZKFUIADTTNX-UHFFFAOYSA-N
-rxn:4:212514:224720,CC(C)(C)OC(=O)n1cc(-c2cn(COCC[Si](C)(C)C)c([N+](=O)[O-])n2)c(C2CC2)n1,BRXGDRQXLMLFAU-UHFFFAOYSA-N
-rxn:4:212514:224746,CC(=O)N1CCN(c2ccc(-c3cn(COCC[Si](C)(C)C)c([N+](=O)[O-])n3)cn2)CC1,RFLIFPYMZLNZGR-UHFFFAOYSA-N
-rxn:4:212543:226428,COCC(=O)N1CCCC(COc2ncc(-c3cc(N4CCCCC4C)cs3)cn2)C1,KVHLNDUHLXWDBA-UHFFFAOYSA-N
-rxn:4:212586:222774,COc1cccc(C(=O)N2CC(Cn3cc(-c4ccc(F)c(CN5CCC(O)CC5)c4)cn3)C2)c1OC,ROXGVRDOCGEGJK-UHFFFAOYSA-N
-rxn:4:212588:224821,O=C(CCc1ccccc1-c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CCC(Oc2nncs2)CC1,QWYXMDNFXNFJCJ-UHFFFAOYSA-N
-rxn:4:212624:223603,O=C(CCc1ccccc1-c1cc(OCc2cccnc2)c(OC(F)(F)F)cc1Cl)N1CCC(Oc2ncc(F)cn2)CC1,SGGMIPGEXMDQKC-UHFFFAOYSA-N
-rxn:4:212630:224009,COc1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)cc1S(=O)(=O)N1CCOCC1,HVMDPOIHWKMPGR-UHFFFAOYSA-N
-rxn:4:212630:225098,O=C(c1cncc(-c2ccc(OCCN3CCCC3)nc2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,DBAGBRKIVYAUIZ-UHFFFAOYSA-N
-rxn:4:212631:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(COc5ncccc5C(F)(F)F)CC4)c3)c(F)c2)CC1,LKBDACBVBLIQQA-UHFFFAOYSA-N
-rxn:4:212653:228448,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C(F)F)cc2Cl)n1,UQGAMAWHSOKUPO-UHFFFAOYSA-N
-rxn:4:212696:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)cc1,NWNDCAHSNVAVDO-UHFFFAOYSA-N
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-rxn:4:212747:222662,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)Nc3ccccc3)c(F)c2)cc1N1CCOCC1,VLYDCQYZIPCSDD-UHFFFAOYSA-N
-rxn:4:212775:223106,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3cnc(N4CCC(O)C4)nc3Cl)ccc21,STRNVTVZYSFUDJ-UHFFFAOYSA-N
-rxn:4:212785:222735,COCCn1c(=NC(=O)c2ccc(-c3cccc(C(=O)NC4CCCCC4)c3)cc2)sc2cc(S(N)(=O)=O)ccc21,ZXGNEFVCTFXUDK-UHFFFAOYSA-N
-rxn:4:212896:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3-c3nnc(SCC(=O)N4CCCC4=O)o3)s2)CC1,ZJBMWXMMCRSEBN-UHFFFAOYSA-N
-rxn:4:212908:225172,CCOC(=O)N1CCCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,AOFBEILUJJHEPP-UHFFFAOYSA-N
-rxn:4:212944:224247,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(C(=O)N3CCC(C)CC3)cc2F)CC1,XDIUJNPQUZXMNV-UHFFFAOYSA-N
-rxn:4:212973:227804,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])C1,UCKJXUUVDBNUFH-UHFFFAOYSA-N
-rxn:4:213037:222655,CC(C)CCN1CCC(Oc2ncc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)cn2)CC1,PUXWCGLFUYEBGF-UHFFFAOYSA-N
-rxn:4:213066:225167,O=C(c1cc(F)cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)c1)N1CCCC1,LOPACSLHAYJWCD-UHFFFAOYSA-N
-rxn:4:213066:226406,O=C(c1ccc(-c2ccccc2-c2cnccn2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,JBYHGLKGSSBVKR-UHFFFAOYSA-N
-rxn:4:213073:223696,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)CC1,DDKUHQROJRYLEZ-UHFFFAOYSA-N
-rxn:4:213098:222799,Cc1cc(-c2cc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(=O)(=O)NC(C)(C)C,WXWWTYPJVYRATI-UHFFFAOYSA-N
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-rxn:4:213116:225178,O=S(=O)(c1ccc(F)cc1)N1CCCC(COc2ncc(-c3ccc(CN4CCOCC4)cc3F)cn2)C1,ZZGFETVDHUCYPT-UHFFFAOYSA-N
-rxn:4:213132:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)c1,NKUINTRBKWCTSV-UHFFFAOYSA-N
-rxn:4:213134:224819,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1,CJCPSOBSWSCVFH-UHFFFAOYSA-N
-rxn:4:213159:222430,COc1cc(N2CCN(C(=O)Cc3ccccc3-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)CC2=O)ccn1,MRIGHSBTIZHDLC-UHFFFAOYSA-N
-rxn:4:213163:223109,CC(NC1CC1)c1ccc(-c2cnc(OCC3CCN(C(=O)C4CCCC4)CC3)nc2)cc1,FLLWTLTUWUXADV-UHFFFAOYSA-N
-rxn:4:213175:224325,Cc1cc(OCC2CCN(C(=O)c3cncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)c3)CC2)ccn1,HXKNKJGEKJFRDZ-UHFFFAOYSA-N
-rxn:4:213195:223945,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GUGMOJTWMZXMJC-UHFFFAOYSA-N
-rxn:4:213215:222460,COc1cc(NS(=O)(=O)c2ccc(-c3cnc(OCC4CCN(CC5CCOCC5)CC4)nc3)cc2)ccc1F,RUSPJRABUUHABZ-UHFFFAOYSA-N
-rxn:4:213216:225911,COC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c(Cl)cc1OC,SEOMBRBZATUHRV-UHFFFAOYSA-N
-rxn:4:213216:227539,COc1cc(Cl)cc(OC)c1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,UFGAHUBOTFHZBB-UHFFFAOYSA-N
-rxn:4:213216:227674,COc1c(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)cc(C)c(F)c1F,CPGJWGFBESGLQF-UHFFFAOYSA-N
-rxn:4:213226:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)cc1F,CTDZOVHYGQDLRO-QHCPKHFHSA-N
-rxn:4:213228:225110,CC1CN(S(=O)(=O)c2cncc(-c3ccc(OC(=O)OC(C)(C)C)cc3)c2)CCN1C(=O)OC(C)(C)C,KZXWWHBLTGICHA-UHFFFAOYSA-N
-rxn:4:213248:223960,CCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CCC(c4nnc(C(C)C)o4)CC3)ccc2F)CC1,MGMDLBWHTCXOQS-UHFFFAOYSA-N
-rxn:4:213249:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cccnc3OC3CCN(C(=O)c4cccc(N(C)C)c4)CC3)cc2)CC1,OTHGGPMPJXGFFI-UHFFFAOYSA-N
-rxn:4:213258:226725,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cccc(OCC(F)(F)F)c1,VNKWJUFASYYFIK-UHFFFAOYSA-N
-rxn:4:213260:224978,O=S1(=O)CCC(CN2CCCC(COc3ncc(-c4cc(-n5ccnc5)ccc4C4CC4)cn3)C2)CC1,DTJYFFMWSKWULZ-UHFFFAOYSA-N
-rxn:4:213264:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1,YRYJRWJQECJETG-UHFFFAOYSA-N
-rxn:4:213264:222584,O=C(Cc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,VMEKGABBYNQMIM-UHFFFAOYSA-N
-rxn:4:213267:228564,CCC(C)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2C(=O)OC(C)(C)C)s1,JTTNPZJGWAIJEH-UHFFFAOYSA-N
-rxn:4:213269:223651,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,DUZTVFBGJWTFFU-UHFFFAOYSA-N
-rxn:4:213279:223567,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc5cc(OC(C)C)ccc5n4C(=O)OC(C)(C)C)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,FOALTEGXVFPDCW-UHFFFAOYSA-N
-rxn:4:213279:225176,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(CN5CCOCC5)c(Cl)c4)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,TZKBGEWNDDUNFT-UHFFFAOYSA-N
-rxn:4:213281:225504,CCCCn1cnc2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc21,SIZCXDFJRHUGGV-UHFFFAOYSA-N
-rxn:4:213281:226628,Cc1cnn(-c2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cn2)c1,KLBPIMTVOYNDGX-UHFFFAOYSA-N
-rxn:4:213395:225338,O=C(Cn1ccc2ccc(-c3ccc(F)c(COCC(F)(F)F)c3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,XUYCWXFCJYDBMG-UHFFFAOYSA-N
-rxn:4:213415:222547,N#Cc1ccc(NC(=O)c2cccc(-c3ccc(-n4c(SCC(=O)N5CCCCCC5)nc5c(c4=O)SCC5)cc3)c2)cc1,ZEQDDSJAXAZIOE-UHFFFAOYSA-N
-rxn:4:213441:226129,O=C(Cn1ccc2cc(-c3cccc(CN4CCCC4)c3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,XXRORBAAFBYTJE-UHFFFAOYSA-N
-rxn:4:213480:222510,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)Nc5ccc(C)cc5Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OCHLOJNGBNMSKM-NGEXIDCFSA-N
-rxn:4:213480:223050,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)NC(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QYRUBGYFYRMKGK-IVMILYEGSA-N
-rxn:4:213480:223065,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCNCC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PNHLSRBVCLQBGR-CPPXEKLYSA-N
-rxn:4:213506:222466,CCOC(C)n1cc([N+](=O)[O-])c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)n1,DSEYRXGGCUSXBY-UHFFFAOYSA-N
-rxn:4:213604:222615,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)cn2)C1,HIBKDVOXVCLAQP-UHFFFAOYSA-N
-rxn:4:213672:224325,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,FQRFCDHSNYGAIZ-UHFFFAOYSA-N
-rxn:4:213672:224659,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cccc(C(=O)N3CCN(C)CC3)c2)CC1,URQIXVWCVJCBJB-UHFFFAOYSA-N
-rxn:4:213684:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cnn(CC2CN(CC3CCCO3)C2)c1,KFQXCEOZZCOMFB-UHFFFAOYSA-N
-rxn:4:213712:222632,CC(C)CN1CCC(Cn2cc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)C1,GWEUUNKJOUCUFL-UHFFFAOYSA-N
-rxn:4:213765:225898,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnn(CCN4CCOCC4)c3)n2)C1,GQOUCVVZORNZOS-UHFFFAOYSA-N
-rxn:4:213798:223059,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(N4CCNCC4)cc3Cl)cn2)C1,RKFPNNCLSHLZEN-UHFFFAOYSA-N
-rxn:4:213803:223945,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cn1,GGNAHFBJGFWDCR-UHFFFAOYSA-N
-rxn:4:213836:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,IHPBODGIBBLCPS-UHFFFAOYSA-N
-rxn:4:213860:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1,YHNFDHDRWZCTAO-UHFFFAOYSA-N
-rxn:4:213872:224949,COc1ccc(-c2cnn(CC3CN(CC4CCCCC4)C3)c2)cc1CN1CCCC1,DXUPOOBYOJNKAR-UHFFFAOYSA-N
-rxn:4:213894:225979,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)CC1,RXQOOHNYCRJRCG-UHFFFAOYSA-N
-rxn:4:213901:223062,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,UFPCTPOROATSIT-UHFFFAOYSA-N
-rxn:4:213901:225898,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnn(CCN3CCOCC3)c2)CC1,LIIWNDSLCRMDFT-UHFFFAOYSA-N
-rxn:4:213911:223996,CN1CCN(c2ccc(-c3cccc(C#N)c3N3CCN(Cc4ccccc4)CC3)c(C(F)(F)F)c2)CC1,CTQCWIMIGSCEQT-UHFFFAOYSA-N
-rxn:4:213955:222590,O=C(C1CC=CCC1)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)cn2)CC1,TYYQZLSZFQGIMG-UHFFFAOYSA-N
-rxn:4:213971:229082,CN(C)c1csc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,JTLMKISCOUYODW-UHFFFAOYSA-N
-rxn:4:213986:225975,Cc1cc(-c2ccnc(N3CCOCC3)c2Cl)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,BMMIRGBAAHFCEV-UHFFFAOYSA-N
-rxn:4:213988:225984,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,JFBCEJIPUVVOFT-UHFFFAOYSA-N
-rxn:4:213989:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C5CCOCC5)C4)nc3)c(F)c2)CC1,ORUMIMREGFGXFE-GLQXSRQHSA-N
-rxn:4:213991:223061,Fc1cnc(C2CCNCC2)cc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,IIRPIJIPZPHCRH-UHFFFAOYSA-N
-rxn:4:213992:225710,CCOC(OCC)c1ncccc1-c1cnc(OC2CCN(CC3CCOCC3)CC2)nc1,IBWUVYMXZGUNEF-UHFFFAOYSA-N
-rxn:4:213992:226253,CCCOc1cc(OC)cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)c1,KYCKNBNNRXHTHV-UHFFFAOYSA-N
-rxn:4:213999:222897,CCCCNS(=O)(=O)c1cccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)c1,XNLJQGXBYPDEDY-UHFFFAOYSA-N
-rxn:4:214024:223682,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)cn2)CC1,YOVHBUHURSWTPI-UHFFFAOYSA-N
-rxn:4:214028:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCCC4)C3)c2Cl)CC1,LEMQFWPLHSKYPK-UHFFFAOYSA-N
-rxn:4:214028:223779,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CCO1)N1CCCCC1,CBQYTPYVXICIEX-UHFFFAOYSA-N
-rxn:4:214028:228995,CCc1cncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,BRNQEBNVAHJWDT-UHFFFAOYSA-N
-rxn:4:214054:222986,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc(C2CCCNC2)n1,TUXFEOHDBQRJAP-UHFFFAOYSA-N
-rxn:4:214054:228792,CSc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc1F,GQNGFMIFQUZZCG-UHFFFAOYSA-N
-rxn:4:214064:228710,CC(C)c1ncc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cn1,ZSMYHZWOLMBPRD-UHFFFAOYSA-N
-rxn:4:214086:227254,CCCOc1ccc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)cc1Cl,HPSJMZBXMCVRLG-UHFFFAOYSA-N
-rxn:4:214181:223602,CCCC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3s2)CC1,WPWLBFNPENBLDB-UHFFFAOYSA-N
-rxn:4:214273:225379,CC(C)(C)OC(=O)N1CCC(n2cnc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)CC1,GAWKKGSBBVAWRO-UHFFFAOYSA-N
-rxn:4:214306:224684,Cn1cc(C(=O)N2CCN(C(=O)c3cccc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)c3)CC2)c2ccccc21,XZOSTXPVEBULSX-UHFFFAOYSA-N
-rxn:4:214323:227541,CCOc1cc(F)c(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)cc1F,QRRBLNNIVKUYGW-UHFFFAOYSA-N
-rxn:4:214342:223489,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cc3)CC2)c2ccccc2n1,NXWAPLJHUXFPFN-UHFFFAOYSA-N
-rxn:4:214349:225390,CC(C)Cc1cc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)cc(C2CC2)c1,XNNASQQWFTZXGL-UHFFFAOYSA-N
-rxn:4:214349:226271,CN(C)C(C#N)c1ccccc1-c1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1,RCIKGRSVILHPIK-UHFFFAOYSA-N
-rxn:4:214379:225066,Cc1cc(F)ccc1-c1ncccc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)o1,UVSMUXBRGGOOMP-UHFFFAOYSA-N
-rxn:4:214379:225965,Cc1cnn(-c2ncc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc6c7c(c5)CCN7C(=O)CC6)CC4)o3)cc2Cl)c1,ZKFRHSPLOTVMCF-UHFFFAOYSA-N
-rxn:4:214653:223951,COC1CCN(c2ncc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cc2[N+](=O)[O-])CC1,ZLFZJIJBPVZZNK-UHFFFAOYSA-N
-rxn:4:214655:225007,CC(C(=O)N1CCC(F)(F)CC1)n1cc(-c2cccc(CN3CCCCC3)c2F)cn1,DBFWOJCYDPNMSZ-UHFFFAOYSA-N
-rxn:4:214683:224325,CCN1CCN(C(=O)c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2Cl)CC1,LUCGBFRJQFYFTF-UHFFFAOYSA-N
-rxn:4:214697:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnn(C3CCN(CC4CC4)CC3)c2)CC1,IMUUEXVSWVAUCD-UHFFFAOYSA-N
-rxn:4:214711:222724,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,KVTSRCVLWMRYLV-UHFFFAOYSA-N
-rxn:4:214766:225232,CC1CCN(c2cc(-c3ccc(N4CCC(N(C)C)CC4)c([N+](=O)[O-])c3)cnc2Cl)CC1,QKMAZIKBTKRSKJ-UHFFFAOYSA-N
-rxn:4:214803:222948,O=C(C1CN(c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)CCO1)N1CCCC1,XWWDVPIGHDHBAY-UHFFFAOYSA-N
-rxn:4:214836:222553,O=C(NCc1ccccc1)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,RRHRDMFROQCWDI-UHFFFAOYSA-N
-rxn:4:214837:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,MCEANAMPZGRPHR-UHFFFAOYSA-N
-rxn:4:214839:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,UATKGUMAAZJMCU-UHFFFAOYSA-N
-rxn:4:214839:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1F,IIMJDLSDPHGROQ-UHFFFAOYSA-N
-rxn:4:214854:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(OC2CCN(C3CCOCC3)CC2)nc1,TVHRTVFUUGIXKG-UHFFFAOYSA-N
-rxn:4:214870:226479,CCCCOc1nccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1Cl,YVWSIDLRHKHBRZ-UHFFFAOYSA-N
-rxn:4:214875:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,JILCZAJSUOVAMU-UHFFFAOYSA-N
-rxn:4:214881:223743,Cc1ccc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1OCCCN1CCC(C)CC1,RNXBNXBHWFFUSJ-UHFFFAOYSA-N
-rxn:4:214884:226092,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(C)c1,MBZPOKGYPCOGMF-UHFFFAOYSA-N
-rxn:4:214885:225449,O=C(C1CCN(c2ncc(-c3cccc(OC4CCCCC4)c3)cc2Cl)CC1)N1CCC(F)(F)CC1,PWLJKVSRKBVKGI-UHFFFAOYSA-N
-rxn:4:214888:222826,O=C(c1cncc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,AYQXXZGDJUJXJW-UHFFFAOYSA-N
-rxn:4:214888:225324,CC(C)CCn1cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)c(C(F)(F)F)n1,BSMKKGQTJLNMBB-UHFFFAOYSA-N
-rxn:4:214888:226448,O=C(c1cncc(-c2cnc(Cl)c(C3CCCC3)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,QMZUMZMJLRPPQF-UHFFFAOYSA-N
-rxn:4:215016:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc4c(c3)ncn4C(=O)OC(C)(C)C)cc21,PWVLCWOTYQVFQV-UHFFFAOYSA-N
-rxn:4:215150:223755,CC1CCN(CCCOc2ccc(-c3ccc4nc(N5CCN(C(=O)C(C)C)CC5)sc4c3)cc2F)CC1,BOBPDKISNXJVRS-UHFFFAOYSA-N
-rxn:4:215170:228140,CC(c1ccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)s1)N(C)C,PSMFMQVYBXYJJR-UHFFFAOYSA-N
-rxn:4:215214:226533,CCOC(=O)c1cc(F)ccc1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,MVCHBBVARVNVGO-UHFFFAOYSA-N
-rxn:4:215234:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4oc(C(=O)N5CCC(c6nc7ccccc7[nH]6)CC5)c(C)c4c3)c2)CC1,LFHGQEPENKYGRB-UHFFFAOYSA-N
-rxn:4:215285:223481,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2)cc1,PFOQHOWFQATYFA-UHFFFAOYSA-N
-rxn:4:215295:226131,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3ccccc3CN3CCCC3)cnc12,PUWDGEUBLJYTDE-UHFFFAOYSA-N
-rxn:4:215337:223504,CCn1ncc(C#N)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,NZKXTNJMXGCFAI-UHFFFAOYSA-N
-rxn:4:215612:223501,CCc1nnn(C(C)C)c1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,MNMOMXPSHWLQEA-UHFFFAOYSA-N
-rxn:4:215710:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(F)(F)C3)c([N+](=O)[O-])c2)CC1,GGVOLRKNQKVCGY-UHFFFAOYSA-N
-rxn:4:215780:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCC(F)(F)CC3)c(C#N)c2)c1,WVKBYIIXLDJYIY-UHFFFAOYSA-N
-rxn:4:215800:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCC(C(F)(F)F)CC4)n3)cc2)CC1,DYNJNLYVQYSRCR-UHFFFAOYSA-N
-rxn:4:215802:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)cc2)CC1,HQWZVHBNYOWZCJ-UHFFFAOYSA-N
-rxn:4:215802:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)c2)CC1,NYCWQAXBOUZYHE-UHFFFAOYSA-N
-rxn:4:215866:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3C(=O)N3CCN(C)CC3)c3ccccc23)CC1,JAWISZHMBFPAKT-UHFFFAOYSA-N
-rxn:4:215904:224317,CN1CCN(C(=O)c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)c(F)c2)CC1,CMGQYZCMSZJTEA-UHFFFAOYSA-N
-rxn:4:215908:224318,CN1CCN(C(=O)c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cc2F)CC1,DDUZQGUHIOXPSE-UHFFFAOYSA-N
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-rxn:4:215957:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2F)CC1,PJGALGDDEMFHGW-UHFFFAOYSA-N
-rxn:4:215969:224656,COc1ccc(-c2cc(Cl)cnc2N2CCN(C3CCC3)CC2)c(F)c1OC1CCCC1,SYOCNYWJWBVATR-UHFFFAOYSA-N
-rxn:4:215969:224668,CCN1CCN(c2cc(F)cc(-c3cc(Cl)cnc3N3CCN(C4CCC4)CC3)c2)CC1,NTNHMRPWXPVSDW-UHFFFAOYSA-N
-rxn:4:215970:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(SC)nc1N1CCC2(CC1)OCCO2,AEAFSIMFJCPCJU-UHFFFAOYSA-N
-rxn:4:215970:225234,CSc1ncc(-c2ccc(N3CCCCC3)c(F)c2F)c(N2CCC3(CC2)OCCO3)n1,VAUGBBJRCHMUOP-UHFFFAOYSA-N
-rxn:4:215976:223835,Cc1cc(F)c(-c2nc(C(C)C)cc(N3CCC(C)CC3)n2)cc1S(=O)(=O)N1CCC(C)CC1,KUAMXRHFYULLPP-UHFFFAOYSA-N
-rxn:4:215984:222905,CN1C(=O)C(=Cc2cccn2-c2ccc(-c3cccnc3NC(=O)OC(C)(C)C)cc2)C(=O)N(C)C1=O,DEUYWJBNBMWYIE-UHFFFAOYSA-N
-rxn:4:216089:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3nnc4n3CCC(C(=O)OC)C4)c(F)c2)CC1,GQASVTFBAQYGPK-RSBROLRWSA-N
-rxn:4:216204:223814,COc1ccc2c(n1)c(-c1ccc(CN3CCC4(CC3)OCCO4)cc1F)nn2C1CCCCO1,FYVDAJRNYYPYNQ-UHFFFAOYSA-N
-rxn:4:216206:223812,COc1cc2c(cn1)c(-c1cc(F)cc(CN3CCC4(CC3)OCCO4)c1)nn2C1CCCCO1,VWESVQRVGJDJAZ-UHFFFAOYSA-N
-rxn:4:216219:224394,Cc1ccc(-c2cnc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCOCC1,KKVCMONTEFGMCN-UHFFFAOYSA-N
-rxn:4:216319:222724,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(N5CCNCC5)c(C(F)(F)F)c4)ccc3S2(=O)=O)n1,VFUYKSJXIZQPKG-UHFFFAOYSA-N
-rxn:4:216319:225605,Cc1cnc(OC2CCCC2)c(-c2ccc3c(c2)N2CCCC2=C(C(=O)n2nc(C)cc2C)S3(=O)=O)c1,YLLCDRNUSWSBOS-UHFFFAOYSA-N
-rxn:4:216351:224285,CCC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc12,JZPMHTKVTPFSPV-UHFFFAOYSA-N
-rxn:4:216354:224950,COc1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(C(C)=O)CC2)O3)c(CN2CCCC2)c1,RUGRHFVABKXMIT-UHFFFAOYSA-N
-rxn:4:216355:222865,CCCCNC(=O)c1ccc(-c2ccc3c(c2)C2(C(=O)N3C)c3[nH]c4ccccc4c3CCN2C(=O)C(C)C)cc1Cl,HIYQHOQKMVQBCY-UHFFFAOYSA-N
-rxn:4:217161:223562,CN1CCN(c2cccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)CC1,ZQRODUQAKBMRAP-UHFFFAOYSA-N
-rxn:4:217792:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2Cl)CC1,MNAZMRPABOVUCG-UHFFFAOYSA-N
-rxn:4:217865:223557,C=C1CC2CCC(C1)N2c1ncc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cn1,XXGRQFIFFXPKBJ-UHFFFAOYSA-N
-rxn:4:217905:225407,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCCCC5)cc4)ccc2OC32CCN(C)CC2)o1,QCUMNJAQMRIHNH-UHFFFAOYSA-N
-rxn:4:218590:224804,CC(C)Oc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4C#N)C3)nc2)cc1OC(F)(F)F,MJNAWOINTXZWLN-UHFFFAOYSA-N
-rxn:4:218641:222520,Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)CC1,KTNQIIQCLZSIRX-UHFFFAOYSA-N
-rxn:4:218666:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cncc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)C2)c1,ZYVOADNRPUJJEM-UHFFFAOYSA-N
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-rxn:4:218695:223741,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(CN5CCCc6ccccc65)ccc4F)c3C)CC2)cc1,QAPUOZLOFQOOOV-UHFFFAOYSA-N
-rxn:4:218721:224764,CCCCCCCn1c(-c2ccc(C(=O)N3CCOCC3)cc2F)nc2c1c(=O)n(C)c(=O)n2C,LKBNCLJSOJAGRX-UHFFFAOYSA-N
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-rxn:4:218824:226583,CN(CC1CN(c2ncc(-c3ccc(CN4CCOCC4)s3)cn2)C1)S(=O)(=O)C1CC1,ZIIQZVMFIZBTPO-UHFFFAOYSA-N
-rxn:4:218846:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)nc1,MUQIWQSBJSDUTO-UHFFFAOYSA-N
-rxn:4:218867:226174,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4CCCCC4)nc3)c2)no1,DGVLMOMYMKIVIW-UHFFFAOYSA-N
-rxn:4:218868:225640,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCCCC4C)c3)cc2)no1,YXSWIALREOKMEQ-UHFFFAOYSA-N
-rxn:4:218877:223160,CCNC(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)c(F)c1,XHEUDKIRAAUCJK-UHFFFAOYSA-N
-rxn:4:218899:225054,CC1CCCCN1c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)c(Cl)c1,IUWDHRVXVMQXAT-UHFFFAOYSA-N
-rxn:4:218917:223226,CCC(=O)Nc1cccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,LHKCNQAKRYVKRY-UHFFFAOYSA-N
-rxn:4:218950:222826,O=C(Cc1ccccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1,ISLCRCIBUCHGNR-UHFFFAOYSA-N
-rxn:4:218964:222928,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnc(N5CCC(O)CC5)nc4C)cn3)C2)CC1,UEUZZQRLKRRRJE-UHFFFAOYSA-N
-rxn:4:218964:225221,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cc(N5CCCC(C)C5)ncc4F)cn3)C2)CC1,FZWMHMSJISMKNK-UHFFFAOYSA-N
-rxn:4:218967:224609,COc1nn(C)cc1C(=O)N1CCC(Oc2ncccc2-c2cnccc2C(=O)N(C(C)C)C(C)C)CC1,ZAFDSQWVGWOLII-UHFFFAOYSA-N
-rxn:4:218976:225301,O=C1C(N2CCC(Oc3ncc(-c4cc(OC5CCOCC5)ncc4F)cn3)CC2)CCN1CC(F)(F)F,WOWZDFZCRCOFJI-UHFFFAOYSA-N
-rxn:4:218976:226730,O=C1C(N2CCC(Oc3ncc(-c4cnc(OC5CCC5)nc4Cl)cn3)CC2)CCN1CC(F)(F)F,GZBCJCSDWFZEFR-UHFFFAOYSA-N
-rxn:4:218993:224592,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)s1,YYGUCVPPIPTSOT-UHFFFAOYSA-N
-rxn:4:218994:224252,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccc(C(=O)N5CCCC(C)C5)c(F)c4)cn3)C2)s1,WDBIEMBWPBLPSN-UHFFFAOYSA-N
-rxn:4:219016:225435,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3ccccc3CN3CCCCC3)c2)C1,RUDHVHKFQIRINJ-UHFFFAOYSA-N
-rxn:4:219042:225530,CCN(CC)Cc1ccc(F)cc1-c1cn(C)nc1CN1CCN(C(=O)OC(C)(C)C)CC1C,WTCMIYMSQXJOTQ-UHFFFAOYSA-N
-rxn:4:219051:222839,CN(c1cnc(-c2ccc(NCC3CCCCC3)nc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,DEPSRSUXANMANX-UHFFFAOYSA-N
-rxn:4:219053:223059,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCNCC5)cc4Cl)c3)cn2)CC1,VZYLQNPPVZOZNS-UHFFFAOYSA-N
-rxn:4:219096:224187,O=C(CN1C(=O)c2ccccc2C1=O)N1CC(Cn2cc(-c3ccc(OCCN4CCCCC4)cc3F)cn2)C1,BFWXSGDZLQLSCS-UHFFFAOYSA-N
-rxn:4:219120:224462,O=C(c1cncc(-c2ccc(C3CCN(C4CC4)CC3)cc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,ORYKKHNBRUHHNR-UHFFFAOYSA-N
-rxn:4:219142:223221,CC(=O)NCc1cccc(-c2cc(C#N)c3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,ITQAOXWJCGLFAL-UHFFFAOYSA-N
-rxn:4:219274:223844,O=S(=O)(c1ccc(-c2cnn(CC3CN(c4cc(C(F)(F)F)ccn4)C3)c2)c(C(F)(F)F)c1)N1CCCC1,DAZWIXAJZXVISF-UHFFFAOYSA-N
-rxn:4:219354:223696,CN(C1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)C1)S(=O)(=O)C1CC1,IQFQBBKVLYFQRZ-UHFFFAOYSA-N
-rxn:4:219371:224407,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)CC1,UBTLXPQWIKDMFQ-UHFFFAOYSA-N
-rxn:4:219410:225073,CCOC(=O)c1cc2cccc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)c2s1,ZDUSFJCOAXKGSC-UHFFFAOYSA-N
-rxn:4:219419:224255,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(F)cc(C(=O)N5CCCC(C)C5)c4)o3)CC2)cc(C(F)(F)F)n1,MHEDUJOUWAGSIR-UHFFFAOYSA-N
-rxn:4:219462:223035,CC(C)(C)C(=O)Nc1ncccc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,UUOOFICRENJHDE-UHFFFAOYSA-N
-rxn:4:219472:222538,COc1ccnc(N2CCN(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,QCEKLRFWFYCUMB-UHFFFAOYSA-N
-rxn:4:219479:225833,O=C(c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,CAMLFJKITOFRGR-UHFFFAOYSA-N
-rxn:4:219495:223640,CCOC12C(=O)c3cc(F)cc(-c4cnccc4OC4CCN(c5cc(C6CCC6)ncn5)C4)c3C(=O)C1C2(C)C,OFPJPARQDXERKX-UHFFFAOYSA-N
-rxn:4:219532:224462,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(C2CCN(C3CC3)CC2)cc1,URTRXIKDXXUXCP-UHFFFAOYSA-N
-rxn:4:219536:226339,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4cc(C#N)cc(Cl)c4C4CC4)o3)CC2)cn1C,UKHPWJDVFNWUMD-UHFFFAOYSA-N
-rxn:4:219560:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1,BZKCQKRJTPKAKA-UHFFFAOYSA-N
-rxn:4:219562:224163,Cc1c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)ccc2c1cnn2C1CCCCO1,HWFCPSDLYLTECJ-UHFFFAOYSA-N
-rxn:4:219654:224667,CN1CCN(Cc2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)ccc2Cl)CC1,XMSGEZPINUHSTE-UHFFFAOYSA-N
-rxn:4:219710:226533,CCOC(=O)c1cc(F)ccc1-c1ccc(N2N=NC3C(=O)N(c4cc(OC)cc(OC)c4)C(=O)C32)cc1C,GUFNJPBBJLZNEH-UHFFFAOYSA-N
-rxn:4:219743:224759,CC(C)c1sc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,JKZVVPGRTTWWME-UHFFFAOYSA-N
-rxn:4:219762:222925,CC(=O)C1=C(c2ccc(-c3ccc(C4CNC4)c(C(F)(F)F)c3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,FTVMNZWTSZMSOS-UHFFFAOYSA-N
-rxn:4:219880:222812,CSc1ncc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,HRSJDBZZDBYWGG-UHFFFAOYSA-N
-rxn:4:219891:222869,CC(C)CNC(=O)c1cc(-c2cnn(CC3CN(C4CCN(C)C4=O)C3)c2)ccc1F,HSHOXYZBMOMBMU-UHFFFAOYSA-N
-rxn:4:219891:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnn(CC3CN(C4CCN(C)C4=O)C3)c2)c1,SJPRANQBHZIFJT-UHFFFAOYSA-N
-rxn:4:219917:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,WQWLUJXOTLSFSX-UHFFFAOYSA-N
-rxn:4:219936:222465,Cc1nnc(CN2CCN(c3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)CC2)o1,OKYJNFVHNWNSIP-UHFFFAOYSA-N
-rxn:4:219938:223697,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2)c(C(F)(F)F)c1)N1CCCCC1,GSBOZAFNRPSXSO-UHFFFAOYSA-N
-rxn:4:219958:222465,COc1ccccc1N1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,QFLJFSAJYJAZJC-UHFFFAOYSA-N
-rxn:4:219987:222465,Cc1cncnc1N1CCN(Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,KCXCGFJEKXJNFZ-UHFFFAOYSA-N
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-rxn:4:220015:223499,CCCCn1ncc2c(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ncnc21,RUYNAUVRGOHALU-UHFFFAOYSA-N
-rxn:4:220124:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4ccnn4)C5)c3)c2)CC1,SPXYFOZSVUSJFY-UHFFFAOYSA-N
-rxn:4:220424:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(N4CCN(c5ccc(F)cc5)CC4)nc3)cn2)CC1,OHHYWUSYQLECKD-UHFFFAOYSA-N
-rxn:4:220491:222546,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)nc2C1,ZEVCQGBNBOTCJU-UHFFFAOYSA-N
-rxn:4:220518:222520,CCN1CCN(c2cnc3ccc(-c4ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c4)cc3n2)CC1,HDKVCWHDRLLECR-UHFFFAOYSA-N
-rxn:4:220531:223541,O=S(=O)(c1cc(F)c(F)cc1-c1cnc(N2CCC(c3noc4cc(F)ccc34)CC2)nc1)N1CCC2(CC1)OCCO2,MJDPGBBVPJRACT-UHFFFAOYSA-N
-rxn:4:220533:225052,CC1CCCCN1c1cc(F)cc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)c1,PWKFLWZPLMMJLL-UHFFFAOYSA-N
-rxn:4:220935:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,CRGLETHNJIVMGC-UHFFFAOYSA-N
-rxn:4:221088:225588,FC(F)(F)c1nnc(CN2CCCC(COc3ncc(-c4ccccc4CN4CCSCC4)cn3)C2)o1,MWEJVBLUWXXVIM-UHFFFAOYSA-N
-rxn:4:221116:229000,CCOc1ccc(-c2cnccc2CC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,VFAYSMZKTXTUIB-UHFFFAOYSA-N
-rxn:4:221129:226319,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C(=O)N6CCC6)cc5)cc4)nnn3c3ccccc23)CC1,XOPZFJFLPLCRAI-UHFFFAOYSA-N
-rxn:4:221161:222723,Cc1noc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)n1,XMQLENUIZFQGDI-UHFFFAOYSA-N
-rxn:4:221169:223670,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)cn1,GFHBFAJYARCUND-UHFFFAOYSA-N
-rxn:4:221169:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)c2)CC1,MVSLPGHZZWPNIT-UHFFFAOYSA-N
-rxn:4:221175:227481,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccncc4C(OC)OC)cn3)C2)C(=O)C1=O,FCOGGKCSAJEYBI-UHFFFAOYSA-N
-rxn:4:221175:228348,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N(C)C)nc4F)cn3)C2)C(=O)C1=O,KTQOSPOSIPFLIW-UHFFFAOYSA-N
-rxn:4:221175:228366,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(N(C)C)c(F)c4)cn3)C2)C(=O)C1=O,CMIPCVNZBBZHEE-UHFFFAOYSA-N
-rxn:4:221175:228424,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)c(F)cc4OC)cn3)C2)C(=O)C1=O,WPCIBMZALMPWSH-UHFFFAOYSA-N
-rxn:4:221175:228896,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(OC)c(F)c4)cn3)C2)C(=O)C1=O,IOBWUXDWLKQCHG-UHFFFAOYSA-N
-rxn:4:221175:228904,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(OC)ccnc4Cl)cn3)C2)C(=O)C1=O,SRQFVBJXXYYMIK-UHFFFAOYSA-N
-rxn:4:221175:228910,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(Cl)c4OC)cn3)C2)C(=O)C1=O,OCBOLRYOKVGKGC-UHFFFAOYSA-N
-rxn:4:221175:229090,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4csc(C(C)=O)c4)cn3)C2)C(=O)C1=O,SBJBOSUIRIUDDU-UHFFFAOYSA-N
-rxn:4:221181:224255,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCCC(C)C5)c4)cn3)C2)nn1C,DHRVMSRUUFGPSC-UHFFFAOYSA-N
-rxn:4:221192:222614,CCn1nccc1-c1nc(C2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)CC2)no1,GSKDADRTRJLSJB-UHFFFAOYSA-N
-rxn:4:221196:223812,Cc1c(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cnn1-c1ccccc1,BEONXHSKUUPDAF-UHFFFAOYSA-N
-rxn:4:221207:227477,CCOC(=O)c1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccn1,GSXWHMMFPHBOMA-UHFFFAOYSA-N
-rxn:4:221237:223660,Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc3)ccn12,HDFPZPFQEODDHC-UHFFFAOYSA-N
-rxn:4:221247:223623,Cc1cc(C(C)(C)C)ccc1OCc1ccccc1-c1ccc(-c2nc(SCC(=O)N3CCOCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1,GYJMXQFKBGHKPN-UHFFFAOYSA-N
-rxn:4:221247:226252,CCCCOc1cc(Cl)ccc1-c1ccc(-c2nc(SCC(=O)N3CCOCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1,NBONHSKCPMQPCE-UHFFFAOYSA-N
-rxn:4:221307:222511,N#Cc1nccnc1N1CCC(Oc2ccncc2-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)C1,NVCGNFWNXDSWCR-UHFFFAOYSA-N
-rxn:4:221320:222542,Cc1ccc(-c2cnn(CC3CN(C(=O)c4ccc(=O)n(C)n4)C3)c2)cc1OCCCN1CCNCC1,AMVOLLYBGQZCJW-UHFFFAOYSA-N
-rxn:4:221339:223712,COc1ccc(-c2cnc(OCC3CCCN(c4ncccn4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,ASYFBDIUFLFJHM-UHFFFAOYSA-N
-rxn:4:221367:223532,Cc1cnc(OCC2CCCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)nc1,QTUUNHXCHXGOBF-UHFFFAOYSA-N
-rxn:4:221376:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(c5cc(C6CC6)ncn5)CC4)nc3)ccc2C)CC1,VSPFPPDKJFONDR-UHFFFAOYSA-N
-rxn:4:221395:224127,CCN1CCN(C(C)c2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2)CC1,CWUKGYKMOGLAAG-UHFFFAOYSA-N
-rxn:4:221420:225340,CCOc1cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)ccc1OC(F)(F)F,RXXPAYVJNLBISY-UHFFFAOYSA-N
-rxn:4:221421:223816,C[Si](C)(C)CCOCn1c(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc2c(Cl)ccnc21,QLVZYSZTVKRVSQ-UHFFFAOYSA-N
-rxn:4:221427:223070,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cs1,LMNFHNASEVGUOK-UHFFFAOYSA-N
-rxn:4:221434:226266,COC(=O)CCc1ccccc1-c1ccccc1C(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,YEQLZBPJJRFAKW-UHFFFAOYSA-N
-rxn:4:221435:226544,COC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)c(OC)c1,DDRUEVHZDLOVET-UHFFFAOYSA-N
-rxn:4:221438:223075,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(NS(=O)(=O)C5CC5)cc4)o3)CC2)nn1,HORFEUSJEGBBDK-UHFFFAOYSA-N
-rxn:4:221440:227077,CCC(C)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c(F)c1,UKMDEOUXMIRELO-UHFFFAOYSA-N
-rxn:4:221443:225170,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4cc(F)ccc4CN4CCOCC4)c3)CC2)n1,MRVGEYCSOSJBAW-UHFFFAOYSA-N
-rxn:4:221449:226754,CCOc1c(F)cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1F,UVQJGSNVMDAEDU-UHFFFAOYSA-N
-rxn:4:221452:223091,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cnc(NC(=O)OC(C)(C)C)s4)c3)CC2)n1,AYRKIXPMZZYJQW-UHFFFAOYSA-N
-rxn:4:221456:223273,CNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1F,QUNJENOABIUSND-UHFFFAOYSA-N
-rxn:4:221502:223712,COc1ccc(-c2cnccc2OC2CCN(c3nccn4nc(C5CC5)cc34)C2)cc1C12CC3CC(CC(C3)C1)C2,ISEGWILYLGEMIW-UHFFFAOYSA-N
-rxn:4:221521:223884,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc6c(c5)CCN(C(=O)OC(C)(C)C)C6)cn4)C3)n1)CCC2,BHAQGWOVVQGVMT-UHFFFAOYSA-N
-rxn:4:221522:223534,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)cn4)CC3)cnc2c1,VXDNNGAFNYEIEW-UHFFFAOYSA-N
-rxn:4:221522:223602,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cn4)CC3)cnc2c1,VZJGTMFENXJBLG-UHFFFAOYSA-N
-rxn:4:221641:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2Cl)CC1,GDNCYHHDKYPHPU-UHFFFAOYSA-N
-rxn:4:221681:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3-c3nn4c(CN5CCCCC5)nnc4s3)c2)C1,JWJVJKHQIRALJP-UHFFFAOYSA-N
-rxn:4:221832:223894,CN1CCN(CCCOc2cccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,SFJMCEGGYJTQED-UHFFFAOYSA-N
-rxn:4:221832:224681,O=C(c1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1F)N1CCCCC1,BHNDKOCEIAQSRJ-UHFFFAOYSA-N
-rxn:4:221927:223177,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNS(C)(=O)=O)cc6)cc5)no4)C3C2=O)cc1,GABUPCKXFPSUBM-UHFFFAOYSA-N
-rxn:4:221935:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(c3nccnc3C#N)C2)nc1,UWNWIAOVMXLOOB-UHFFFAOYSA-N
-rxn:4:221935:222723,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,UXUCDKSHXCXIEJ-UHFFFAOYSA-N
-rxn:4:221938:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cnc(OCC2CCCN(C(=O)c3cn(C)nn3)C2)nc1,LTQYLPVEGCUYER-UHFFFAOYSA-N
-rxn:4:221945:223559,CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc6c(c5)C(C)=CC(C)(C)N6C(=O)OC(C)(C)C)c4)C3)nn2)n1,MQWIBNBFJKOZDP-UHFFFAOYSA-N
-rxn:4:222008:223671,Cc1nnc(CN2CCC(Oc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1C,BVBXVFJQZGDKQM-UHFFFAOYSA-N
-rxn:4:222033:225367,CN(C)c1cc(N2CCN(c3ncc(-c4cnc(N5CCC(F)(F)CC5)nc4)cc3C(F)(F)F)CC2)ncn1,XRXQEEBBZAJUHL-UHFFFAOYSA-N
-rxn:4:222040:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3CCN(c4ccc(-n5ccc(C)n5)nn4)CC3)c2)CC1,GQUMNECDNHCDSM-UHFFFAOYSA-N
-rxn:4:222062:224820,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,NUTVWTCPOWNOOV-UHFFFAOYSA-N
-rxn:4:222062:228163,CCOc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,VLIZSJBNSNOBHC-UHFFFAOYSA-N
-rxn:4:222089:222748,O=C(NCC1CCCO1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,BFSTYFZLJRUWNG-UHFFFAOYSA-N
-rxn:4:222089:224885,CC1CCN(Cc2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)CC1,LFKLVAPTIOCQFU-UHFFFAOYSA-N
-rxn:4:222089:225165,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1N1CCOCC1,PTOLPSNQEOVKJD-UHFFFAOYSA-N
-rxn:4:222089:225180,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(Cl)c1)N1CCCC1,GPHASTOPNKZFDG-UHFFFAOYSA-N
-rxn:4:222089:225805,CC(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)s1)N1CCOCC1,CHYPVUUNUKLQMD-UHFFFAOYSA-N
-rxn:4:222108:223002,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)cc6F)cc5)no4)C3C2=O)cc1F,XXUDDXHHHQNSMA-UHFFFAOYSA-N
-rxn:4:222160:223954,Cc1cnc(N(C)C2CCCN(c3ncc(-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)cn3)C2)nc1,RANWPOQOUBSUKV-UHFFFAOYSA-N
-rxn:4:222174:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(C(=O)N5CC(n6ccnn6)C5)n(C)nc4c3)c(F)cc2C)CC1,JBCKYGCVFCKBMV-UHFFFAOYSA-N
-rxn:4:222188:223569,CCc1ncnc(N2CC3CN(c4ncc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5F)cn4)CC3C2)c1F,XUYYCLSYMXVTKQ-UHFFFAOYSA-N
-rxn:4:222193:225172,Cn1nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,VPEKGWKJDFAPOX-UHFFFAOYSA-N
-rxn:4:222290:223527,Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ncc(-c5ccc(F)cc5CN5CCN(C(=O)OC(C)(C)C)CC5)cn4)C3)n2)n1,QLZNFEXAFNGVLQ-UHFFFAOYSA-N
-rxn:4:222323:222537,CN(C)c1ccc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)CC2)nn1,IHXLWKACXDVQLP-UHFFFAOYSA-N
-rxn:4:222389:215966,CC1CCN(c2cc(C3CC3)nc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)n2)CC1,RVMVIKXNHLALRO-UHFFFAOYSA-N
-rxn:4:222389:217213,Cc1cc(N2CCN(C)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OGXCNEIOCLXNQT-UHFFFAOYSA-N
-rxn:4:222513:205703,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C,HZSRRYSOPVAHGV-UHFFFAOYSA-N
-rxn:4:222523:178306,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c(C(F)(F)F)c1,SGANZJMPYLEZTC-UHFFFAOYSA-N
-rxn:4:222543:187170,COc1cc(N(C(C)C)C(C)C)ccc1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,LWETYUUFJMWMNV-UHFFFAOYSA-N
-rxn:4:222621:203897,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c2)CC1,BZFABSQGMQTXQU-UHFFFAOYSA-N
-rxn:4:222630:215989,CN1CCN(C2CCN(c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)CC2)CC1,ZLYFRCVZJYMEBQ-UHFFFAOYSA-N
-rxn:4:222682:197991,COc1cccc(-c2ccc3c(c2)CCCC3N2CCC(C)CC2)c1NC(=O)OC(C)(C)C,PBIQYFLPUJJABM-UHFFFAOYSA-N
-rxn:4:222751:204603,Cc1ccc(-c2cncc3c2CCN(C(=O)OC(C)(C)C)C3)cc1NC(=O)OC(C)(C)C,JTRGBIPXJMSTDR-UHFFFAOYSA-N
-rxn:4:222910:187659,CCCNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1,IWZABTDHWOQRBN-UHFFFAOYSA-N
-rxn:4:222910:187863,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3OC)c(C)c1,VKKFZVBZDPVWMX-UHFFFAOYSA-N
-rxn:4:223061:185100,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,NYWKALMROKVWHX-UHFFFAOYSA-N
-rxn:5:176587:225607:223007,CCOC(=O)c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1cc(F)cc(C2CCNCC2)c1,AELOMFRCDQEVSJ-UHFFFAOYSA-N
-rxn:5:176864:223018:225507,COC(=O)c1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(-c2ccc3c(c2)CCC3C(=O)OC)c1OC,LLTZFHBFYXRMHW-UHFFFAOYSA-N
-rxn:5:176864:226426:225652,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)s2)cc(-c2cncc(N3CCCC(C)C3)c2)c1OC,PARYMIRYSPHGPO-UHFFFAOYSA-N
-rxn:5:177180:225616:225436,CCOC(=O)c1c(C)cc(-c2ccccc2C(=O)N2CCCC2)cc1-c1ccc(CN2CCCCC2)cc1,BBHCRVXXPGFXHV-UHFFFAOYSA-N
-rxn:5:177183:222987:225804,CCOC(=O)c1cc(C)c(-c2ccc(C(=O)N3CCC3)c(F)c2)c(-c2ccc(C3CCNCC3)nc2C)c1,NFNJNSLAYCHVQG-UHFFFAOYSA-N
-rxn:5:177184:223010:223062,CCOC(=O)c1c(-c2cnc(C3CCNCC3)cc2F)ccc(C)c1-c1ccc(C2(O)CCOCC2)cc1,AJSRPMPSCUWQDE-UHFFFAOYSA-N
-rxn:5:177185:223007:226662,CC(C)OC(=O)c1cc(-c2cc(F)cc(C3CCNCC3)c2)ccc1-c1ccc(N2CCN(C)CC2)s1,QNPKRYFUDXSKNW-UHFFFAOYSA-N
-rxn:5:177186:223065:222989,CCOC(=O)c1cc(-c2ccc(N3CCNCC3)cc2C)c(-c2ccc(N3CCNCC3)cc2F)cc1C,AGXMCTNEIQQNPN-UHFFFAOYSA-N
-rxn:5:177186:226661:223064,CCOC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)c(-c2cc(N3CCN(C)CC3)cs2)cc1C,KOENGBJZHJSUJC-UHFFFAOYSA-N
-rxn:5:177190:222991:225655,CCS(=O)(=O)Cc1ccc(-c2cncc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCC(O)C3)cc2)c1,CHUFUIUPMUGAJV-UHFFFAOYSA-N
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-rxn:5:180662:222989:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,IQMCWMBEYKWIEQ-UHFFFAOYSA-N
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-rxn:5:180749:225637:225632,CN1CCN(c2cccc(-c3ccc(C(=O)c4cc5c(cc4-c4ccccc4N4CCN(C)CC4)OCCO5)cc3)c2)CC1,CUXPLLITYZGDNR-UHFFFAOYSA-N
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-rxn:5:181908:223004:223061,Cc1cc(-c2ccc(C3CCNCC3)c(F)c2)c(-c2cc(C3CCNCC3)ncc2F)cc1C1OCCO1,MNLQAVWDRRFMMW-UHFFFAOYSA-N
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-rxn:5:182012:222985:225638,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(C2CCCOC2)c1,HTJTYVGBNKTQIE-UHFFFAOYSA-N
-rxn:5:183065:225607:225677,CC(c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)CCCC3=O)s1)N1CCCCC1,NNLINOBTTORREB-UHFFFAOYSA-N
-rxn:5:183189:222960:222987,Cc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3C)cc3c2OC(C)(C)OC3)cc(C2CCNCC2)c1,VTBSAFAZRPVICZ-UHFFFAOYSA-N
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-rxn:5:183189:223062:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3cnc(C4CCNCC4)cc3F)c1)OC(C)(C)OC2,DLZXKKGTGCDBLV-UHFFFAOYSA-N
-rxn:5:183189:225407:225438,CC(c1ccc(-c2cc3c(c(-c4ccc(C5CCCCCC5)cc4)c2)OC(C)(C)OC3)cc1)N1CCCC1,FCKYXYLOMYVLQK-UHFFFAOYSA-N
-rxn:5:188447:225798:226867,COC(=O)c1c(-c2c(F)cccc2OC(F)(F)F)cc(-c2ccc(OC3CCOCC3)nc2)cc1[N+](=O)[O-],ICKAQOOMSFDVFP-UHFFFAOYSA-N
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-rxn:5:189207:223065:223065,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc(N2CCNCC2)cc1F,JKLBORFLPFXGFL-UHFFFAOYSA-N
-rxn:5:189207:228615:223062,CSc1ccc(C)cc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)c(C(=O)ON2C(=O)CCC2=O)c1,VMLJEWVDAIVAHG-UHFFFAOYSA-N
-rxn:5:189208:225605:227088,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cc(C)nc(C(C)(C)C)c3)c2)c1,KRTCBDZHIPAASV-UHFFFAOYSA-N
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-rxn:5:189209:228305:226679,CC(C)Oc1cnc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(N4CCCC4)cc3F)c2)cn1,GHHGZWXECZFNSF-UHFFFAOYSA-N
-rxn:5:189209:228877:226185,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)cc2)cc(-c2ccnn2C2CC2F)c1,HWHMXLKKZQUUIO-UHFFFAOYSA-N
-rxn:5:189210:227510:225634,Cc1cc(-c2cccc(-c3ccc(OC(C)C)nc3F)c2C(=O)ON2C(=O)CCC2=O)cnc1N1CCCCC1,IGJJHNYMBYJUAI-UHFFFAOYSA-N
-rxn:5:189210:228304:226679,CC(C)Oc1ncc(-c2cccc(-c3cnc(N4CCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,UZLABXBECOZKGB-UHFFFAOYSA-N
-rxn:5:189211:223139:226856,COc1cnc(C(F)(F)F)cc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(C2CCNCC2)nc1,ULVOJUPZKLGUQJ-UHFFFAOYSA-N
-rxn:5:189211:225655:227326,COC(=O)c1ccc(C)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cncc(N3CCC(C)CC3)c2)c1,HFZVTLWOXHLTKV-UHFFFAOYSA-N
-rxn:5:189211:225817:223388,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(F)(F)F)c(C3CC3)c2)c1-c1ccc(S(=O)(=O)O)cc1,GEKYASNTOISGCO-UHFFFAOYSA-N
-rxn:5:189211:227207:226980,O=C1CCOc2c1cccc2-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1cccc2c1C(=O)CCC2,BGCUUSWUTFMXJD-UHFFFAOYSA-N
-rxn:5:189212:223340:226679,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2ccc3c(c2)NCCO3)c1,PHRZOBZSVZXDHP-UHFFFAOYSA-N
-rxn:5:189212:226036:227362,CCOc1cc(C)cc(F)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cc(C(F)(F)F)cc(F)c1OC,URSBYYAOKZJTHL-UHFFFAOYSA-N
-rxn:5:189322:226031:225453,CC(C)(C)OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C(F)F)cnc1-c1cccc(SC2CCCCC2)c1,IUWATCDJKGWQRY-UHFFFAOYSA-N
-rxn:5:189449:225469:226772,COC(=O)c1cc(F)c(-c2ccc(-c3ccc(N4CCCC(C)C4)cc3)c(C(=O)N3CC(OC)C3)c2)c(F)c1,NIIRQFWGLGBBNE-UHFFFAOYSA-N
-rxn:5:189512:223056:225870,O=[N+]([O-])c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1S(=O)(=O)c1cccc(-c2cc(F)cc(N3CCOCC3)c2)c1,OOLGPJIPKIFYDW-UHFFFAOYSA-N
-rxn:5:189513:222995:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)c2cc(-c3cccc(N4CCCC(O)C4)c3)ccc2[N+](=O)[O-])cc1,HNTKXEOHZFPWBC-UHFFFAOYSA-N
-rxn:5:189513:225677:226662,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)c4cc(-c5ccc(C6CCCCC6)nc5F)ccc4[N+](=O)[O-])cc3)s2)CC1,WVZYSNBKQMJGIT-UHFFFAOYSA-N
-rxn:5:189539:222405:223004,CC(C)N(C)C(=O)c1cccc(-c2cccc(C3NC(=O)NC3=O)c2)c1-c1ccc(C2CCNCC2)c(F)c1,NNTBMMSFEIKWNV-UHFFFAOYSA-N
-rxn:5:189540:226319:226030,COc1c(F)cc(-c2ccc(-c3ccc(C(=O)N4CCC4)cc3)cc2CN2CC(OC)C2)cc1C(F)(F)F,KALDHCGHVZHLMY-UHFFFAOYSA-N
-rxn:5:189665:225498:227574,COc1c(F)ccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)cnc2OCC2CCOCC2)c1OC,SSTWCRMPHDMZPH-UHFFFAOYSA-N
-rxn:5:189667:227079:226050,CC(C)Cc1ccc(F)c(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3c(F)cc(OC(F)(F)F)cc3F)c2)c1,ACYUARJFVCTDHB-UISXVXBLSA-N
-rxn:5:189668:225884:226664,O=C(Cc1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1ccc(C2COCCO2)c(F)c1)N1CCCC1,NMZJTPNXFMJRTC-UHFFFAOYSA-N
-rxn:5:189671:226059:225456,CC(C)c1ccc(-c2cccc(-c3ccc(C4CCN(C)CC4)cc3)c2/C=N/S(=O)C(C)(C)C)c(C(C)C)c1,NPFAPTPAXWHYEZ-GOJREDGKSA-N
-rxn:5:189718:227591:227545,CCOc1ccc(F)c(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(C(F)F)cc2OC)c1F,RJALNDHUPZYXCQ-UHFFFAOYSA-N
-rxn:5:189778:226654:223173,CC1CCN(c2nc(-c3ccc(-c4ccc5c(c4)C(O)CS5(=O)=O)c(CCN4CCCC4)c3)cs2)CC1,RQTOYSRSTPGWGW-UHFFFAOYSA-N
-rxn:5:189826:226854:223241,COc1ccc(F)c(-c2cc(-c3cncc(C4CCNC4)c3)ccc2CC(=O)N2CCOCC2)c1[N+](=O)[O-],RXAIDKGOSQNJEM-UHFFFAOYSA-N
-rxn:5:189908:225394:227587,COc1cc(-c2ncc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2OCC2CCCCC2)cc(F)c1OC,CLESUVNGOLIHFD-UHFFFAOYSA-N
-rxn:5:189909:225849:223058,Fc1cc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)c(CCN3CCOCC3)c2)cc(C2CCCNC2)n1,ODFQWMDVWWEPAU-UHFFFAOYSA-N
-rxn:5:189910:226736:225987,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c(CCN2CCOCC2)c1,VGKDSWSRUFXDJN-UHFFFAOYSA-N
-rxn:5:189952:225655:225946,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C(C)=O)cc(C(F)(F)F)c1,HHCPSSPAUVSCLF-UHFFFAOYSA-N
-rxn:5:189952:225816:222420,COc1c(-c2cc(C3CC3)ccc2C(F)(F)F)cc(C(=O)N2CCOCC2)cc1-c1ccccc1S(N)(=O)=O,XVFNREFTBVNJRO-UHFFFAOYSA-N
-rxn:5:189952:227115:223295,COc1c(-c2cncc(NS(C)(=O)=O)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C)c(C2CC2)cc1F,FKIAGFVDMYVYLR-UHFFFAOYSA-N
-rxn:5:190128:227362:226186,CCOc1cc(C)cc(F)c1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccccc1C1CCOCC1,WKIYBQYDOVDOPW-UHFFFAOYSA-N
-rxn:5:190131:227738:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCCCC2)cc1-c1cc(C(F)(F)F)ncc1C,FFCDSRTZHOOWFM-UHFFFAOYSA-N
-rxn:5:190194:227935:225591,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(CN3CCCC3)ccc2F)ccc1OC,HQYFWLIMHNXYJB-UHFFFAOYSA-N
-rxn:5:190195:226736:227777,CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2C#N)c(-c2cc(F)c(F)cc2[N+](=O)[O-])c1)C1CCOCC1,ZZHTXAWITIRNQL-UHFFFAOYSA-N
-rxn:5:190196:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(CN3CCOCC3)nc2)c1,SNXJIUMTOLHCCW-UHFFFAOYSA-N
-rxn:5:190196:226364:223113,CN(Cc1ccc(-c2ccc(N3CCCCC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,JQGFYHNFDOSFHQ-UHFFFAOYSA-N
-rxn:5:190198:227284:225437,CN(Cc1c(-c2cccc(CN3CCCCC3)c2)cccc1-c1cc(C#N)ncc1C1CC1)C1CCOCC1,RLFBPGLNGOOABW-UHFFFAOYSA-N
-rxn:5:190199:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1CN(C)C1CCOCC1,PHZRWLDGQGSAEU-UHFFFAOYSA-N
-rxn:5:190199:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnn(CC3CCOCC3)c2)c(CN(C)C2CCOCC2)c1,QFDGKIXCKFRWNH-UHFFFAOYSA-N
-rxn:5:190201:222417:225978,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(N3CCOCC3)nc2F)CCO1,BHDJOPLDJFETOL-UHFFFAOYSA-N
-rxn:5:190307:228974:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1CCN1CCC(C)CC1,ILWFPCPKPOKBJB-UHFFFAOYSA-N
-rxn:5:190309:225806:228713,CC1CCCCN1CCc1cc(-c2cnc(OC3CCCC3)cc2F)ccc1-c1ccn(C(C)(C)C)n1,VGMOJUAKJPXVGY-UHFFFAOYSA-N
-rxn:5:190336:225987:226870,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(F)c(OC(F)(F)F)c1,UTYLDWMGTZHMCX-UHFFFAOYSA-N
-rxn:5:190337:226366:228740,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc(C#N)cc1F,RNVQGYWEKNZZJV-UHFFFAOYSA-N
-rxn:5:190337:228700:226852,COc1ncc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(N(C)C)nc3)c2OC)cc1C(F)(F)F,FLCMITZFZFIGAI-UHFFFAOYSA-N
-rxn:5:190337:228995:222994,CCc1cncc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cccc(N4CCC(O)CC4)c3)c2OC)c1,RFRJRXSZIAHPBS-UHFFFAOYSA-N
-rxn:5:190484:223384:223242,CNC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNC5)c4)S(=O)(=O)CC3)c2)cn1,HQMQLKZIXDFASW-UHFFFAOYSA-N
-rxn:5:190484:226845:222990,COc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(N4CCC(O)CC4)cc3)S(=O)(=O)CC2)c1,YGILRIUIHPJGBG-UHFFFAOYSA-N
-rxn:5:190484:226969:228138,N#CCc1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc5c(c4)CCCC5=O)c3)CCS2(=O)=O)cc1F,NXTKVSXVZMGHQQ-UHFFFAOYSA-N
-rxn:5:190484:228400:226395,COc1c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cncc(N5CCCCC5)c4)S(=O)(=O)CC3)c2)ccc(F)c1F,WSHWFVFEKNYOAJ-UHFFFAOYSA-N
-rxn:5:190484:228473:225461,Cc1cc(N2CCCCC2)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cc([N+](=O)[O-])ccc3F)c2)CCS1(=O)=O,VZQXEDKXYOEQSY-UHFFFAOYSA-N
-rxn:5:190484:228490:223007,O=C(c1cccc(-c2cccc(S(=O)(=O)F)c2)c1)N1CCC(c2ccccc2-c2cc(F)cc(C3CCNCC3)c2)S(=O)(=O)CC1,VWIWKTIOQPSUHI-UHFFFAOYSA-N
-rxn:5:190484:228653:226172,Cc1ccc(N2CCCC2)cc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cnn4c3CCCC4)c2)CCS1(=O)=O,MQFGPIQDMKSHLN-UHFFFAOYSA-N
-rxn:5:190680:226033:226741,COc1cc(-c2ccc3c(c(OC(C)=O)cn3C(C)=O)c2-c2cc(C(F)(F)F)ccc2C#N)cc(C(F)(F)F)c1F,NGBALFCVCOXZCW-UHFFFAOYSA-N
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-rxn:5:190740:223064:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,OPFULPGZMIQIOW-UHFFFAOYSA-N
-rxn:5:190740:225982:225655,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cncc(N2CCC(C)CC2)c1,YMKFOVSWITVSPW-UHFFFAOYSA-N
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-rxn:5:226686:193331:223140,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)c(-c2ccnc(C3CCCNC3)c2)c1,NAXMKRAVNAMESC-UHFFFAOYSA-N
-rxn:5:226686:193540:223186,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(-c2cnn(C3CCCCO3)c2)c1,DGEMROSRGNEHGX-UHFFFAOYSA-N
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-rxn:5:226920:178295:227944,COC(=O)C1(c2cc(-c3cncc(C(C)(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,ZAYXZBCKUAULRQ-UHFFFAOYSA-N
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-rxn:4:187352:223904,CC(C)[Si](c1ncc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)s1)(C(C)C)C(C)C,IZAVHNVLBQUBDZ-UHFFFAOYSA-N
-rxn:4:187352:223929,CC(C)[Si](c1ncc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)s1)(C(C)C)C(C)C,BGULVMCWVWLBGN-UHFFFAOYSA-N
-rxn:4:187368:222629,CCN(C(=O)c1ccc(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)c(Cl)c1)C1CCCCC1,LOFNZJZUNFBZGE-UHFFFAOYSA-N
-rxn:4:187388:225762,Cc1cc(CC(=O)N2CCC(C(F)(F)F)CC2)ccc1-c1cc(Cl)c(F)c(OCC(C)C)c1,ZWXGNYWCCWDXDK-UHFFFAOYSA-N
-rxn:4:187433:224665,COC(=O)c1ccc(-c2ccc(F)cc2CN2CCN(C)CC2)c(CN2CCCC(C)C2)c1,NRPCYYHKWWKVKH-UHFFFAOYSA-N
-rxn:4:187468:225168,O=C(c1ccc(-c2ccc(CN3CCOCC3)c(F)c2)o1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,LAEURSIWLGGKRA-UHFFFAOYSA-N
-rxn:4:187474:222539,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1,VADUYQOQMIONJJ-UHFFFAOYSA-N
-rxn:4:187488:226053,CCOc1ccc(-c2ccc(F)c(OC(F)(F)F)c2F)cc1S(=O)(=O)N1CCC(C)CC1,XNPRYETWEOASPF-UHFFFAOYSA-N
-rxn:4:187542:225192,COc1cc(-c2cc(OC3CCCCC3)ncc2F)cc(OC)c1CN1CCC(C)CC1,RWJZTHKVGFQKNS-UHFFFAOYSA-N
-rxn:4:187555:225047,Cc1cc(-c2ccccc2CCC(=O)N2CCC3(CC2)OCCS3)cnc1N1CCC(C)CC1,KSEQYMSUZLCNHX-UHFFFAOYSA-N
-rxn:4:187587:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,FANWWNZCUPTMLH-UHFFFAOYSA-N
-rxn:4:187596:225061,CC1CCN(c2ccc(-c3ccc(F)c(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,ZBXTXWWYFRRKKJ-UHFFFAOYSA-N
-rxn:4:187623:224877,CC(C)Oc1cccc(-c2ccc(COC3CCCCC3)cc2)c1CN1CCCCC1C,NXEJOPDUIKGEQW-UHFFFAOYSA-N
-rxn:4:187633:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)c1,ZZUVYIOGLNNKCD-UHFFFAOYSA-N
-rxn:4:187637:223526,CC1CCCN(C(=O)c2ccc(Oc3ccccc3-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)C1,KENGJCYNEOGHFW-UHFFFAOYSA-N
-rxn:4:187639:224842,Cc1ccc(N(C(=O)c2ccccc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)C2C=CS(=O)(=O)C2)cc1C,XWGXYFBBERUKIW-UHFFFAOYSA-N
-rxn:4:187648:223903,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccccc3CCC(=O)N3CCC(=O)CC3)cc2)C1=O,OYEFUKZOVYUSGA-UHFFFAOYSA-N
-rxn:4:187663:225303,Cc1cc(-c2cc(C(C)(C)C)nc(C(F)(F)F)c2)ccc1C1CCCN(C(=O)OC(C)(C)C)C1,HWFSIDMOSMCXTF-UHFFFAOYSA-N
-rxn:4:187683:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2)c1,VEALQHOIIJPTDI-UHFFFAOYSA-N
-rxn:4:187683:225269,COC(=O)c1ccc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2)c(C(=O)OC)c1,PLLHJUOFXBHLIG-UHFFFAOYSA-N
-rxn:4:187693:226261,CCOc1ccc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)c(F)c2)cc1OCC,DIBURSLBWHVBIS-UHFFFAOYSA-N
-rxn:4:187841:224391,COC(=O)c1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)ccc32)cc1,BGGDUQBRYMOWMV-UHFFFAOYSA-N
-rxn:4:187883:223829,CCOc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2C)cc1S(=O)(=O)N1CCc2ccccc21,CKUKBBTXNYZNIT-UHFFFAOYSA-N
-rxn:4:187916:226119,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C)ccc1OCC1CC1,VODNSQHWBZGUCF-UHFFFAOYSA-N
-rxn:4:187946:227403,COc1ccc2c(c1-c1ccc(N3CCCCC3)s1)CCN(C(=O)OC(C)(C)C)[C@@H]2C,WDDRMEJIOWGXQH-QGZVFWFLSA-N
-rxn:4:187961:222648,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc(NC(=O)OC(C)(C)C)c(C)cc3C)cc1)CC(C)(C)CC2=O,BGTNXROXHBNCBN-UHFFFAOYSA-N
-rxn:4:187970:224834,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)c2ccccc21,OUHQFLQWPOSPJJ-UHFFFAOYSA-N
-rxn:4:188021:225220,CSc1ccc(C2c3c(oc4ccc(-c5cnc(N6CCCCC6C)c(Cl)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,WNDBHBBIUBUBIO-UHFFFAOYSA-N
-rxn:4:188050:223497,CCOC(=O)c1coc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)n1,KXLFOXJZUFUFHR-UHFFFAOYSA-N
-rxn:4:188201:223695,O=[N+]([O-])c1cc(OC(F)(F)F)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1F,DHBHMWBHQJYNRC-UHFFFAOYSA-N
-rxn:4:188538:223539,COc1ccc(-c2ccc([N+](=O)[O-])cc2CSC)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,BIWQWQXCLGLGQX-UHFFFAOYSA-N
-rxn:4:188809:223559,COC(=O)C(C)c1ccncc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,KWAWKFNGOJGFKJ-UHFFFAOYSA-N
-rxn:4:188854:223520,COc1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(OC)nc1OC,IQMSCCPTGGXXQO-UHFFFAOYSA-N
-rxn:4:189265:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)OC(C)(C)C)cn3)cc21,LXRDRDUNYMOEMB-UHFFFAOYSA-N
-rxn:4:189354:223636,CC(C)S(=O)(=O)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc1[N+](=O)[O-],RSCLKMFNRLXACN-UHFFFAOYSA-N
-rxn:4:189389:224060,COc1c(C(C)(C)C)cc(-c2ccc(C(=O)ON=C3C=CC(=O)C=C3)cc2)cc1C(C)(C)C,UFFOUBYWDGMCNH-UHFFFAOYSA-N
-rxn:4:189542:222465,COC1CN(Cc2ccc(F)c(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)C1,GVLJTIBTZLNGAB-UHFFFAOYSA-N
-rxn:4:189604:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3cc(C)cc(C(=O)ON4C(=O)CCC4=O)c3)cc2C)cc1,IWUXAFITOFTYAZ-UHFFFAOYSA-N
-rxn:4:189697:224485,COC(=O)C1CC(=O)N(c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)C1,UEVNKMQHLINGAK-UHFFFAOYSA-N
-rxn:4:189866:224811,O=[N+]([O-])c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)ccc1N1CCOCC1,YUTJHOBSSUWCCC-UHFFFAOYSA-N
-rxn:4:189944:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(CS(=O)(=O)N2CCOCC2)c1,OXTFSKKCTXNYMM-UHFFFAOYSA-N
-rxn:4:190153:223699,COc1c(Cl)cc(C(=O)N2CCC(F)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,FWNWAYWTWSHIMS-UHFFFAOYSA-N
-rxn:4:190173:227505,O=[N+]([O-])/C=C/c1ccc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc1,ZKOIIUWLKRPZBK-BJMVGYQFSA-N
-rxn:4:190179:225011,N#CC1(c2cccc(-c3ccc(S(=O)(=O)N4CCC(F)(F)CC4)c(C(F)(F)F)c3)c2F)CCCC1,KWJWEBUGRARFBB-UHFFFAOYSA-N
-rxn:4:190234:222752,CCC(=O)C1CCCN(c2cc(-c3ccc(NC(=O)OC(C)(C)C)cc3C)ccc2F)C1=O,PQYSREUMVHLXSF-UHFFFAOYSA-N
-rxn:4:190317:223712,COc1ccc(-c2cc(CCN3CCCC(C)C3)ccc2F)cc1C12CC3CC(CC(C3)C1)C2,VUODYFGDGFBEBP-UHFFFAOYSA-N
-rxn:4:190326:223508,O=C(C1CC1)N1CCC(c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2)CC1,XLHLPPIDTKSJAI-UHFFFAOYSA-N
-rxn:4:190361:224379,CCc1cc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cc(N2CCC(OC)CC2)c1,IKDSTXNDKOWQJC-UHFFFAOYSA-N
-rxn:4:190373:224375,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,WYTPBUCEICSMDT-UHFFFAOYSA-N
-rxn:4:190389:224396,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)c2)CC1,QVCJQBIQFDGALO-UHFFFAOYSA-N
-rxn:4:190390:223934,COc1cc(C(=O)N2CCC3(CC2)CC3)cc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)c1,IJEPDUKHEOCPRY-UHFFFAOYSA-N
-rxn:4:190393:222581,CC(C)NS(=O)(=O)c1ccc(-c2cc(F)ccc2N2CCCC(C(=O)C(C)C)C2=O)c2ccccc12,BKJUYGFUVPBCFF-UHFFFAOYSA-N
-rxn:4:190411:223597,Cc1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,XOKZDUBOFHCRPM-UHFFFAOYSA-N
-rxn:4:190452:224690,COc1ccc(-c2ccc(CN3CCC(=O)CC3)cc2F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,KDQLUUXIHCCQKY-UHFFFAOYSA-N
-rxn:4:190453:224376,Cc1ccccc1C1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)o2)CCS1,ZYGZAGJNWWCLIL-UHFFFAOYSA-N
-rxn:4:190480:223522,CC1CCCN(C(=O)c2cccc(-c3ccccc3-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)c2)C1,GHGLYGXFQFHORU-UHFFFAOYSA-N
-rxn:4:190488:223943,COc1cc(C)c(-c2c(Cl)c(C)cc3c2cnn3C2CCCCO2)cc1S(=O)(=O)N1CC(C)CC(C)C1,NIQZMGHIKWLCLH-UHFFFAOYSA-N
-rxn:4:190493:222847,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCCNC2)c1,NFVQUFWZPOSZNN-UHFFFAOYSA-N
-rxn:4:190678:223591,CCOC(=O)C1C=Nc2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)ccc2C1=O,UXGJYEYGVPVSCV-UHFFFAOYSA-N
-rxn:4:190848:222724,C[Si](C)(C)OC1(C#N)CCc2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)ccc21,FFBLACCAIZFJJC-UHFFFAOYSA-N
-rxn:4:190865:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1,AVEVDEWQMDOEPW-UHFFFAOYSA-N
-rxn:4:190928:222468,COC(=O)c1cc2c(c(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)c1)N(C(C)C)CCC2=O,NYCPBHZDBQMXRW-UHFFFAOYSA-N
-rxn:4:190960:224670,CC1c2cc(-c3cc(CN4CCN(C)CC4)ccc3F)ccc2CN1C(=O)OC(C)(C)C,NQVKROQTUOKDCB-UHFFFAOYSA-N
-rxn:4:190972:226298,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(F)cc2OCC2CC2)o1,DJWFRNMWPYPBMZ-UHFFFAOYSA-N
-rxn:4:190983:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,LDHTXSFOEWDTOH-UHFFFAOYSA-N
-rxn:4:191006:222819,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(NC(=O)N3CCOCC3)nc2)cc1,QYVDKBYPWXZHFM-UHFFFAOYSA-N
-rxn:4:191041:225456,CN1CCC(c2ccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)cc2)CC1,RWEQSJQLGUQERX-UHFFFAOYSA-N
-rxn:4:191053:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc(C3SCCN3C(=O)c3cc(=O)c4ccccc4o3)ccc2F)C1,PBTMWHBPIHFIFQ-UHFFFAOYSA-N
-rxn:4:191057:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)cc1F,FGBAKWYLSTVTSY-UHFFFAOYSA-N
-rxn:4:191057:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC31CC1)cn2C(=O)OC(C)(C)C,KTCCVGFEVWGEQV-UHFFFAOYSA-N
-rxn:4:191058:223061,COC(=O)C1CCN(C2CCc3cc(-c4cc(C5CCNCC5)ncc4F)ccc32)CC1,BLOHSOYBFWHRGJ-UHFFFAOYSA-N
-rxn:4:191058:225534,CCN(CC)Cc1ccc(-c2ccc3c(c2)CCC3N2CCC(C(=O)OC)CC2)cc1Cl,SRDNKHTVRZITBC-UHFFFAOYSA-N
-rxn:4:191062:225653,CC1CCCCN1c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cn1,BEHKWNSLWWGGMK-UHFFFAOYSA-N
-rxn:4:191063:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)c2ccccc12,DQIHQDUBJAIYQU-UHFFFAOYSA-N
-rxn:4:191067:224974,CN1CCN(Cc2ccccc2-c2cc(C3SCCN3S(=O)(=O)c3ccc4c(c3)CCO4)ccc2F)CC1,HEKQDMPZWQVVOZ-UHFFFAOYSA-N
-rxn:4:191091:226429,CC1CCCN(c2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4(C)C)s2)C1,ZWOPIXKQFIFFBK-UHFFFAOYSA-N
-rxn:4:191094:225303,CC(C)(C)OC(=O)N1C(=O)C2(CCCC2)c2cc(-c3cc(C(C)(C)C)nc(C(F)(F)F)c3)ccc21,XKPSCCHJGOVUMJ-UHFFFAOYSA-N
-rxn:4:191097:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2c1,RLUDOGYTMQDOBO-UHFFFAOYSA-N
-rxn:4:191097:226322,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc21,OISKZNAQAWCXRL-UHFFFAOYSA-N
-rxn:4:191103:226104,CC(C)(C)OCc1cccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,IUHDHJDWBLSYTM-UHFFFAOYSA-N
-rxn:4:191105:227014,CC(C)CSc1cccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,QBTQFXJPNYAKRA-UHFFFAOYSA-N
-rxn:4:191118:226226,COCCOCc1ccccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,XQWSNFCWCRRXNV-UHFFFAOYSA-N
-rxn:4:191125:227349,COc1cc(C)cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1OC,UHXWTEUTYDRREY-UHFFFAOYSA-N
-rxn:4:191127:228177,COCc1ccc(F)cc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,WNPXZBKWFVHPOL-UHFFFAOYSA-N
-rxn:4:191135:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(C4(C)CC(C)(C)N(C(=O)c5ccccc5)c5ccccc54)c3)cnc21,BUQFBKHQVIWXOT-UHFFFAOYSA-N
-rxn:4:191173:223568,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5Cl)c4)cc1c32,FRWKEAXELVWDMN-UHFFFAOYSA-N
-rxn:4:191195:226078,COc1cc2ccccc2cc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,YPVAEPHBBYWTNJ-UHFFFAOYSA-N
-rxn:4:191195:227887,COCCc1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1,SMPUWOWOYQPNMC-UHFFFAOYSA-N
-rxn:4:191195:228927,COc1nccc(F)c1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,WDZBQIWLJBXQOR-UHFFFAOYSA-N
-rxn:4:191206:227094,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4cnccc4C4CCCC4)c3)C3=C(CCCC3=O)N1CC2,QAUIIBPLGSUNFN-UHFFFAOYSA-N
-rxn:4:193069:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CCCC4)c3F)ccc2C)CC1,NITDQAZYVUPBLM-UHFFFAOYSA-N
-rxn:4:193130:222693,O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc(C3COCCO3)nc2C(F)(F)F)cc1,GPJUMKSXXRLKJC-UHFFFAOYSA-N
-rxn:4:193285:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(C(=O)N3CCOCC3)cc(F)c2F)CC1,CBXZRGACUAIKKS-UHFFFAOYSA-N
-rxn:4:193302:223695,O=C1OC(c2ccccc2)=NC1=Cc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1,AASIKMKKGWPLDH-UHFFFAOYSA-N
-rxn:4:193359:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCC(=O)CC2)cc1,NHNOSTGUADTQMY-UHFFFAOYSA-N
-rxn:4:193511:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3N3CCCCC3=O)cc2)CC1,CLASGECXHDYHDO-UHFFFAOYSA-N
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-rxn:4:193614:222511,O=C(NC1CCCCC1)c1cc(-c2cc(N3CCCCC3)cc(C(F)(F)F)c2)cc([N+](=O)[O-])c1,SCHNFTCZEKWOHW-UHFFFAOYSA-N
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-rxn:4:200981:225952,COCCn1c(=NC(=O)C2=COCCO2)sc2cc(-c3cnc(N4CCOCC4)nc3C)ccc21,OQPOFHZVXCEFOP-UHFFFAOYSA-N
-rxn:4:201089:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3sc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1,PSZRCJRKNMFJHL-UHFFFAOYSA-N
-rxn:4:201097:223158,CCNC(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C3)cc1F,ORBDTDSWGQFBDI-UHFFFAOYSA-N
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-rxn:4:201121:224093,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccc(C#N)c(OCc3ccccc3)c2)N2C(=O)CCSC2=N1,SOSWMAKVESBUEE-UHFFFAOYSA-N
-rxn:4:201134:224394,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1,SGDDHUQNVZIFBL-UHFFFAOYSA-N
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-rxn:4:201426:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OCC2CCC2)c([N+](=O)[O-])c1,JITQWIWTAKOWOG-UHFFFAOYSA-N
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-rxn:4:201733:222743,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O)CC3)cc2)nn1CC1CCCCC1,ZEMJDUMJFUKKAR-UHFFFAOYSA-N
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-rxn:4:201837:226425,CC1CCCCN1c1ccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)s2)s1,WEWHUYBFXUTLEI-UHFFFAOYSA-N
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-rxn:4:201857:224765,O=C(Cc1ccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)cc1)N1CC(N2C(=O)CCC2=O)C1,ZXSUFTLKAGXGCT-UHFFFAOYSA-N
-rxn:4:201916:224733,O=[N+]([O-])c1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cc2)cc1,OHJUSEVCMQAZCL-UHFFFAOYSA-N
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-rxn:4:201993:224734,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3ccc(C(F)(F)F)cc3OCC3CC3)n2)C1,PUSUWSQOLYMVKX-UHFFFAOYSA-N
-rxn:4:202001:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)cc1,NHNMPJYSUILIQG-UHFFFAOYSA-N
-rxn:4:202007:222960,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C)cc(C2CCNCC2)c1,TXHZLLDDYQFITK-UHFFFAOYSA-N
-rxn:4:202007:225313,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(N2CCN(C)CC2)nc1F,LSQOVXFKFJDTGO-UHFFFAOYSA-N
-rxn:4:202010:225326,CCOC(=O)c1ccc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c([N+](=O)[O-])c1,ZIALVLOGARXPFJ-UHFFFAOYSA-N
-rxn:4:202022:225898,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cnn(CCN3CCOCC3)c2)cn1,FRRFGGGXIFFSNS-UHFFFAOYSA-N
-rxn:4:202035:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(C(=O)N3CCC(Oc4ccncc4)CC3)cc2)CC1,VQOXOQSBXMJVMM-UHFFFAOYSA-N
-rxn:4:202067:224017,CC(C)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)CC1,SRFQFTOQZJEGIY-UHFFFAOYSA-N
-rxn:4:202069:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cncc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,CEPBUTNSUMUKRE-UHFFFAOYSA-N
-rxn:4:202069:226060,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cncc(-c3cc(C4CC4)cc(C4CC4)c3)c2)C1,SMTQWEANBKHCQE-UHFFFAOYSA-N
-rxn:4:202070:223799,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(F)(F)F)c(OCc4ccccc4)c3)cc2)C(=O)C1,UVIFULUCJDGGNO-UHFFFAOYSA-N
-rxn:4:202105:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc1,VPRWUPPOMKJXMU-UHFFFAOYSA-N
-rxn:4:202105:225187,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(Cl)ccc3CN3CCOCC3)nc2)C1,FPFGKEZPQGQJKO-UHFFFAOYSA-N
-rxn:4:202117:222892,COc1cc(N2CCNCC2)ccc1-c1cnccc1OC1CCN(CC2CCCCO2)C1,ILRGHOPWUMRPOS-UHFFFAOYSA-N
-rxn:4:202117:223712,COc1ccc(-c2cnccc2OC2CCN(CC3CCCCO3)C2)cc1C12CC3CC(CC(C3)C1)C2,MOJHUTDZVXOOBO-UHFFFAOYSA-N
-rxn:4:202139:223532,CN(C)C1CCN(Cc2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C(F)(F)F)c2)CC1,PORVSRIVFQWPPK-UHFFFAOYSA-N
-rxn:4:202142:225898,CC(C)(C)OC(=O)c1cc(-c2cnn(CCN3CCOCC3)c2)nc(N2CCC(F)(F)CC2)c1,DVYBEVFNKKEWAE-UHFFFAOYSA-N
-rxn:4:202154:224426,COc1cc(C)c(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,LENLYQORFJKJGM-UHFFFAOYSA-N
-rxn:4:202157:223974,CC1CCN(c2ccc(-c3cncc(C(=O)N4CCC(S(=O)(=O)c5ccccc5)CC4)c3)c(C(F)(F)F)c2)CC1,HKUQVRDSQMZZHR-UHFFFAOYSA-N
-rxn:4:202167:222915,O=C(NC1=NCCS1)c1ccc(-c2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)cc1,NROAYBZPVKLFIS-UHFFFAOYSA-N
-rxn:4:202184:223814,Fc1cc(CN2CCC3(CC2)OCCO3)ccc1-c1ccc(N2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1,WQKBEFFKBDFMCL-UHFFFAOYSA-N
-rxn:4:202202:226481,COc1ccc(-c2ccccc2CN2CCOC(C(=O)N3CCOCC3)C2)cc1OCC#N,IOONONSAOMMZMW-UHFFFAOYSA-N
-rxn:4:202222:225310,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2cc(C(F)(F)F)c(Cl)cc2C2CC2)c1,DBCKCNGFXYYJLT-UHFFFAOYSA-N
-rxn:4:202225:222581,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c2ccccc12,KUUCDEVSPBISBH-UHFFFAOYSA-N
-rxn:4:202244:223698,CN1CCN(Cc2ccccc2C(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)cc2)CC1,GHGBESMMVDSXIJ-UHFFFAOYSA-N
-rxn:4:202250:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3F)cc2F)C1,UEZSBKVUBGOEGB-UHFFFAOYSA-N
-rxn:4:202263:223683,CN(C)S(=O)(=N[Si](C)(C)C(C)(C)C)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,NKMQXUVJRROWBZ-UHFFFAOYSA-N
-rxn:4:202270:224329,O=C1CCN(C(=O)c2ccc(-c3cccc(CN4CCCC(C(=O)N5CCOCC5)C4)c3)cc2F)CC1,DHORCGICOSWODL-UHFFFAOYSA-N
-rxn:4:202284:225438,COc1ccc(-c2ccc(C(C)N3CCCC3)cc2)cc1CN1CCC(N2CCCC2)CC1,HSRJIYOKZRHLRB-UHFFFAOYSA-N
-rxn:4:202284:225685,COc1ccc(-c2cnc(Cl)c(C3CCCCC3)c2)cc1CN1CCC(N2CCCC2)CC1,CYXOTJBTDWYRMR-UHFFFAOYSA-N
-rxn:4:202298:225223,COc1cc(C)c(-c2cnc(N3CCC(C)CC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,SYQFMOZTAIYZNY-UHFFFAOYSA-N
-rxn:4:202328:224985,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC4)c(-n4cccn4)c3)CC2)CC1,UIFMYUJDIVVHIS-UHFFFAOYSA-N
-rxn:4:202329:223002,COc1cc(C)c(-c2ccc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,JALPNEZQCSKAJG-UHFFFAOYSA-N
-rxn:4:202334:225309,COc1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2Cl)ccc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1,DBFMLRMGNSJIEZ-UHFFFAOYSA-N
-rxn:4:202342:224406,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)c3)CC2)c(C)c1,IQSQTLJXBNLESI-UHFFFAOYSA-N
-rxn:4:202347:223997,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)c2)CC3)cc1,PRRLULLMKKVKEN-UHFFFAOYSA-N
-rxn:4:202648:225220,CC1CCCCN1c1ncc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1Cl,XWDWIZXPQWJMQJ-UHFFFAOYSA-N
-rxn:4:202660:226237,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3ccccc3OCCN(C)C)ccc21,FGYXVVAEFRATNG-UHFFFAOYSA-N
-rxn:4:202665:222913,O=C1C2CN(Cc3cccc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)c3)CC2C(=O)N1Cc1ccccc1,BVPQCHDTWQQPIF-UHFFFAOYSA-N
-rxn:4:202676:222723,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc21,GGLUQELUXPFQPN-UHFFFAOYSA-N
-rxn:4:202677:222639,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)ccnc21,BXHGEQPWNVFJGH-QFIPXVFZSA-N
-rxn:4:202689:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CN(C1CCC(=O)N(C(=O)OC(C)(C)C)C1=O)C2=O,WNNMHKUXEPIJRX-UHFFFAOYSA-N
-rxn:4:202694:228465,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cc(Cl)c(C(=O)OC)s3)ccc21,GXATZXBTQZKORM-UHFFFAOYSA-N
-rxn:4:202707:224986,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(N5CCCCC5)cc4C#N)cc3F)C3CS(=O)(=O)CC32)c1,IFPRKAGNEXNYOO-UHFFFAOYSA-N
-rxn:4:202710:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)cc1,AJQIHYHVULAMRJ-UHFFFAOYSA-N
-rxn:4:202732:223900,COc1ccc2[nH]cc(CCN3Cc4cc(-c5ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c5)ccc4OC(C)C3=O)c2c1,CJGMOCCNPRHATR-UHFFFAOYSA-N
-rxn:4:202807:225098,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCCC3)nc2)cc1,ZSCBTDULBCSDOP-UHFFFAOYSA-N
-rxn:4:203476:223542,CSC1=NCCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1,VFUICVRBVNUFHM-UHFFFAOYSA-N
-rxn:4:203631:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1c(C)nn(C(=O)OC(C)(C)C)c1C,SRKGJTBWXUUDAO-UHFFFAOYSA-N
-rxn:4:203632:223790,CN1CCCC1COc1ncccc1-c1cncc(C2CCCN2C(=O)OC(C)(C)C)c1,HPYUIQNQFYQXNW-UHFFFAOYSA-N
-rxn:4:203693:222588,N#Cc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)cc1N1CCCC(C(F)(F)F)C1,MSMUTOFNOMULHO-UHFFFAOYSA-N
-rxn:4:203696:225172,O=C(c1ccccc1-c1cc(CN2CCOCC2)ccc1F)N1CC(N2C(=O)CSC2=O)C1,NNQRGYHDOAPGRU-UHFFFAOYSA-N
-rxn:4:203708:223520,CC(c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,ZJIYMVRVMZZMFF-UHFFFAOYSA-N
-rxn:4:203729:223698,COC(=O)N1CCN(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)cc2)CC1,IZMQTBXZFHCBPE-UHFFFAOYSA-N
-rxn:4:203773:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cc(OC(F)F)cc(N4CCN(C)CC4)c3)cc2)CC1,LMIQCLPLTZZRGY-UHFFFAOYSA-N
-rxn:4:203775:224377,COC1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2)CC1,CISQBWUDCYWHFM-UHFFFAOYSA-N
-rxn:4:203778:225161,CN1CCN(c2cc(OC(F)(F)F)cc(-c3ccc(F)c(C(=O)N4CCCC4)c3)c2)CC1,DGTKNQWYPAHJCD-UHFFFAOYSA-N
-rxn:4:203797:223902,CC1CCN(CCOc2ccc(-c3ccc(/C(C=[N+](C)C)=C/N(C)C)cc3)cc2F)CC1,DBJCCIPVJYKTAS-UHFFFAOYSA-N
-rxn:4:203817:224679,CCN1CCN(C(=O)c2ccc(-c3cc(Cl)cc(C(=O)N4CCCCC4)c3)c(Cl)c2)CC1,IOLBNVLYBWFZKO-UHFFFAOYSA-N
-rxn:4:203895:222628,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CCC3)nc(C3CCCNC3)c2)CC1,YQHNYZMJPJYROQ-UHFFFAOYSA-N
-rxn:4:203895:224405,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CC1,DQTYDIFLUPCZJE-UHFFFAOYSA-N
-rxn:4:203897:224593,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(F)c(CN4CCC(C)CC4)c3)c2)CC1,FCWRJPNNJULUHX-UHFFFAOYSA-N
-rxn:4:203903:225215,CCN1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCC(C)CC4)c3Cl)cc2F)CC1,GHJSGMYIIRRQBU-UHFFFAOYSA-N
-rxn:4:203903:225223,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C)CC4)cc3F)cc2F)CC1,WAAPHKJKNNWNOY-UHFFFAOYSA-N
-rxn:4:203909:225636,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccnc(N3CCC(C)CC3)c2)CC1,DQSOHFRBZWIWSO-UHFFFAOYSA-N
-rxn:4:203915:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)CC1,UHKURXPDCKBPDN-UHFFFAOYSA-N
-rxn:4:203919:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(CN3CCN(C)CC3)ccc2OC)c1,LTLGCVMZUKJYQX-UHFFFAOYSA-N
-rxn:4:203934:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC,PUOMJKPDWHJJQT-UHFFFAOYSA-N
-rxn:4:203938:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2)cc1,SCPZIWKZELDOBU-UHFFFAOYSA-N
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-rxn:4:204914:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c4c([nH]c3c2)CCCN(C(=O)OC(C)(C)C)C4)cc1,ALVMRKRHMZWZSE-UHFFFAOYSA-N
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-rxn:4:205973:223844,O=C1CC(C(F)(F)F)=NN1c1ccccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,CDSJYGMMOBKVMS-UHFFFAOYSA-N
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-rxn:4:206948:223952,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)n2)CC1,KAHKGJOBYUZXFJ-UHFFFAOYSA-N
-rxn:4:206956:224089,CC1CCN(CCOc2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,SOQYNRQDRNHDGO-UHFFFAOYSA-N
-rxn:4:206964:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1,CWDHPLUNCNZBMF-UHFFFAOYSA-N
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-rxn:4:207736:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,PMPRBMSECROGNE-UHFFFAOYSA-N
-rxn:4:207796:224462,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)ccc3oc2=O)CC1,JPWUANDBUAEDFI-UHFFFAOYSA-N
-rxn:4:207828:224882,O=C1N(c2ccc(F)cc2)C2CS(=O)(=O)CC2N1c1cccc(-c2ccc(CN3CCCCCC3)cc2)c1,HNNIFAVHKHLYLE-UHFFFAOYSA-N
-rxn:4:207856:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)c1,CLANVBOCCGZZLB-UHFFFAOYSA-N
-rxn:4:207946:226060,COc1cc(-c2cc(C3CC3)cc(C3CC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,UDJXDPRTVPCPLQ-UHFFFAOYSA-N
-rxn:4:207946:226675,COc1cc(-c2cnc(C3CCCC3)nc2Cl)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,YUEYFGHZNGSNJU-UHFFFAOYSA-N
-rxn:4:207965:222855,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)cc(C5CCCNC5)c4)ccc2OC32CCC(C)CC2)cc1,JNRUVNNNLJTYJJ-UHFFFAOYSA-N
-rxn:4:209884:223712,COc1ccc(-c2cnc(N3CCCCC3C)cc2C)cc1C12CC3CC(CC(C3)C1)C2,IQYPPCAQHMFWCE-UHFFFAOYSA-N
-rxn:4:210472:223530,Cn1ncc2cc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c21,CKRLEQXCAFNLDE-UHFFFAOYSA-N
-rxn:4:210681:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,HAGOGXFHMQTHAK-UHFFFAOYSA-N
-rxn:4:210863:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccc4sc(N5CCOCC5)nc34)c(F)cn2)CC1,HQAXNNOSYUBPQX-UHFFFAOYSA-N
-rxn:4:211058:223712,COc1ccc(-c2ccc3ccc(N4CCC5(CC4)OCCO5)nc3c2)cc1C12CC3CC(CC(C3)C1)C2,FTOWASHRDDOYMU-UHFFFAOYSA-N
-rxn:4:211094:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C(C)O2,PUJYCNFBYSFAKX-UHFFFAOYSA-N
-rxn:4:212414:222426,CN1C(=O)C(C)(C)c2ncc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc21,PQPKLPLBJKMQAI-UHFFFAOYSA-N
-rxn:4:212541:223895,CCN1CCN(CCOc2ccc(-c3cncc(OCC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,ZGUDECYVXVQHPQ-UHFFFAOYSA-N
-rxn:4:212542:223602,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,UATSQXGQLKXDRP-UHFFFAOYSA-N
-rxn:4:212555:224723,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)COc4ccc(F)cc4)C3)nc2)c(C)c1,MARRSDFKXMCWFR-UHFFFAOYSA-N
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-rxn:4:212636:225384,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)cn2)CC1,JYIDRUSSQMYKTK-UHFFFAOYSA-N
-rxn:4:212667:224325,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)cc1,ZDZHGTQBESPOLR-UHFFFAOYSA-N
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-rxn:4:212709:225616,CCOC(=O)c1c(-c2ccccc2C(=O)N2CCCC2)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,JSBPDVFULNMAOJ-UHFFFAOYSA-N
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-rxn:4:212741:227570,CCOc1c(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCC3)c2)cc1Cl,HUHDUAOBWRDPJT-UHFFFAOYSA-N
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-rxn:4:212796:223954,CCn1c(-c2ccc(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)cc2)cnc1SCC(=O)N1CCc2ccccc21,YXPGNZNQIKJMRT-UHFFFAOYSA-N
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-rxn:4:212914:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(C(=O)N3CC(Oc4ccnc(C(F)(F)F)c4)C3)c2)c1,HCTZUUSQSREUTO-UHFFFAOYSA-N
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-rxn:4:213024:224669,CN1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCCC(Oc4cc(C#N)ccn4)C3)c(F)c2)CC1,UTPPKLOHIYGMHF-UHFFFAOYSA-N
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-rxn:4:213132:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)cc2F)CC1,YQDUDMRUKVYDCG-UHFFFAOYSA-N
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-rxn:4:213191:224616,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3OCCN3CCOCC3)nc2)CC1,MEOBKZJWXPBRRP-UHFFFAOYSA-N
-rxn:4:213192:223167,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCNCC4)c3)n2)CC1,HFVINDJILSTIEG-UHFFFAOYSA-N
-rxn:4:213192:228676,CCCCn1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,FEOJIQFQOUGYNR-UHFFFAOYSA-N
-rxn:4:213202:224325,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)CC2)nn1,ZLGRDKOXKMWAJW-UHFFFAOYSA-N
-rxn:4:213203:225215,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCC(C)CC5)c4Cl)cc3)CC2)nn1,RSERBLYLCYMXNU-UHFFFAOYSA-N
-rxn:4:213215:227564,COc1ccc(Cl)c(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c1OC,MUKKMGFPNZHFAL-UHFFFAOYSA-N
-rxn:4:213226:222614,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)c2)[nH]1,CQQPLOONBHIHPI-DEOSSOPVSA-N
-rxn:4:213226:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)c(F)ccc21,UZODJAZAMQYAIH-HKBQPEDESA-N
-rxn:4:213253:223352,CC(C)Nc1ccc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cn1,UXQFDKLLKSBVRT-UHFFFAOYSA-N
-rxn:4:213260:222806,CCCNC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)cc([N+](=O)[O-])c1,MVWJJXYSCSOWCS-UHFFFAOYSA-N
-rxn:4:213260:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(OCC4CCCN(CC5CCS(=O)(=O)CC5)C4)nc3)cc2)CC1,OBIKQUPDEWKJQA-UHFFFAOYSA-N
-rxn:4:213265:223169,O=C(c1ccc(-c2cnc(C3CCNCC3)nc2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,HYIFBOULXRLHJI-UHFFFAOYSA-N
-rxn:4:213268:222905,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cccnc4NC(=O)OC(C)(C)C)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,ZUYFXQOHEDGNLT-MBSDFSHPSA-N
-rxn:4:213272:226844,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,BLBDIMQIDHBKDW-UHFFFAOYSA-N
-rxn:4:213428:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)cc1,RQYIWQQLLZVELR-LJAQVGFWSA-N
-rxn:4:213439:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cccc3c2ccn3CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)cnc1Cl,ZQVFMMRIVRXFRL-UHFFFAOYSA-N
-rxn:4:213447:224485,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1,OMJLXJPIZYXWHN-UHFFFAOYSA-N
-rxn:4:213451:226574,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(Cl)c(C(=O)N(C)C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KHBHRVVHUQFFBY-UHFFFAOYSA-N
-rxn:4:213474:223218,Cc1c(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)ccc2c1NCCO2,SNUSEZMMMJQVGU-LJAQVGFWSA-N
-rxn:4:213480:225632,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(N5CCN(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,URIVXBYQGBIVEU-IYYFJEEQSA-N
-rxn:4:213480:225868,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCOCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PGEMCVQFKVTRSL-CPPXEKLYSA-N
-rxn:4:213513:223594,CN(C)CCOc1ncc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,AWLBCIKZPMEAGG-UHFFFAOYSA-N
-rxn:4:213617:222588,O=C(c1ccc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)o1)N1CCC(Oc2nncs2)CC1,HTWCMUWHOQDXRV-UHFFFAOYSA-N
-rxn:4:213630:223754,CC1CCN(CCCOc2ccc(-c3cnn(CC4CCN(CC(F)F)CC4)c3)cc2Cl)CC1,OKTGVHJUBPEHPK-UHFFFAOYSA-N
-rxn:4:213653:224755,O=C(c1ccc(F)c(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1)N1CCOCC1,QMYNUCICNIHZLA-UHFFFAOYSA-N
-rxn:4:213653:224975,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)cc2)CC1,DOLHQMGVMUKGCZ-UHFFFAOYSA-N
-rxn:4:213681:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(S(=O)(=O)c5cc(F)cc(F)c5)C4)c3)cc2)CC1,PEUDIFOYQMOEKA-UHFFFAOYSA-N
-rxn:4:213692:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCC(C(F)(F)F)CC3)c2)cc1,OVGPQIQBDGIXNX-UHFFFAOYSA-N
-rxn:4:213759:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)c1,RJFTZDIPMXFNSX-UHFFFAOYSA-N
-rxn:4:213764:225943,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(C(=O)N4CCOCC4)s3)cn2)C1,GAUBYJQSDJNTMO-UHFFFAOYSA-N
-rxn:4:213796:224649,Fc1ccc(OCC2CCCCO2)c(-c2cnn(CC3CN(CC4CCOCC4)C3)c2)c1,HAFJBBPIWOLKAN-UHFFFAOYSA-N
-rxn:4:213798:223945,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,LAQLJRJCNGVETH-UHFFFAOYSA-N
-rxn:4:213802:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,ZEKAGMKDPQMFBJ-UHFFFAOYSA-N
-rxn:4:213803:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3COCCN3C(=O)OC(C)(C)C)nc2)cc1,BPLZLLWKBNVVIC-UHFFFAOYSA-N
-rxn:4:213805:225977,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,CMHDNGBBQGJSGF-UHFFFAOYSA-N
-rxn:4:213820:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCC(Oc2ncccc2Cl)CC1,DSJFWECSPJYJBG-UHFFFAOYSA-N
-rxn:4:213833:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,YPWXAWZJOWXANG-UHFFFAOYSA-N
-rxn:4:213846:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)cc1C,HOUQFIOWCYCWKP-UHFFFAOYSA-N
-rxn:4:213879:224718,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(OCCN3CCOCC3)nc2)CC1,BYKKALHXIYHBHX-UHFFFAOYSA-N
-rxn:4:213880:223062,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(C3CCNCC3)cc2F)CC1,PZJSFWDNNVTMBB-UHFFFAOYSA-N
-rxn:4:213888:224265,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)n2)C1,CQSUYNWFRJTRPC-UHFFFAOYSA-N
-rxn:4:213889:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ncn2)cc1,IPLWZBMZTLKDAN-UHFFFAOYSA-N
-rxn:4:213893:224853,CC1(C)CCC(c2ccc(-c3cncc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,FMFGJDWVVURUOR-UHFFFAOYSA-N
-rxn:4:213900:223945,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,VJTBCEBAKZKDFE-UHFFFAOYSA-N
-rxn:4:213932:224685,O=C1CCN(C(=O)c2cccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)c2)CC1,WGPMYIUPOLEEDW-UHFFFAOYSA-N
-rxn:4:213944:222804,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)[nH]1,OGMSQUVDKBUBSH-UHFFFAOYSA-N
-rxn:4:213970:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1,BOLNXQQDESKWDF-UHFFFAOYSA-N
-rxn:4:213980:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c2ccccc12,UOCFWMZIQBWBMY-UHFFFAOYSA-N
-rxn:4:213991:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,YYOVUVPKHFUXQY-UHFFFAOYSA-N
-rxn:4:214002:224683,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)CC1,LUCDIPYBJDKBQR-UHFFFAOYSA-N
-rxn:4:214005:225912,CCCOc1c(F)cc(F)c(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)c1F,FEGUKHJLPRUZHD-UHFFFAOYSA-N
-rxn:4:214026:226115,CC(C)CC(=O)c1cccc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,SIGPOJJVLZPIGB-UHFFFAOYSA-N
-rxn:4:214027:224317,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(F)c2)CC1,FQRQKOSRGVWESP-UHFFFAOYSA-N
-rxn:4:214033:222957,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc(C2CCCNC2)c1,MYAMZVLSXYUMEJ-UNLZERHLSA-N
-rxn:4:214033:225074,COc1cccc2c(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)c(C(C)C)nn12,WKWZEWZFHQMZLJ-FGZHOGPDSA-N
-rxn:4:214033:226395,CC(C)[C@H]1COC(c2cc(-c3cncc(N4CCCCC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,DVWZHUTYRWYFJU-JWQCQUIFSA-N
-rxn:4:214033:227306,Cc1nc(OC(C)C)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,BNQRMADWYOULGG-DHIUTWEWSA-N
-rxn:4:214033:228324,COc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(OC)cn1,QZYIBHJSHPSNML-WOJBJXKFSA-N
-rxn:4:214039:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cc(C2SCCN2S(=O)(=O)c2c(C)nn(C)c2C)ccc1OC,DWDJXGMBDMKBGC-UHFFFAOYSA-N
-rxn:4:214049:225087,CN(C)CCCOc1ccc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCCCC3)c2)cc1F,KJXNILDWXINFQP-UHFFFAOYSA-N
-rxn:4:214060:225181,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4cccc(CN5CCOCC5)c4F)c3)CC2)C1,NXVXPLUXLOSCPC-UHFFFAOYSA-N
-rxn:4:214085:224340,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3cncc(-c4ccc(C(F)(F)F)cc4)c3)cc2)N=C1C1CCCCC1,VOOXLIMSAVHFFV-UHFFFAOYSA-N
-rxn:4:214099:223597,CCOC(=O)c1ncn2c(SC)ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c12,UVYBJXIGLQYAHA-UHFFFAOYSA-N
-rxn:4:214135:222816,CCN(CC)S(=O)(=O)c1c(-c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)nc2n1CCOC2,TZLXUVVNVWMSRT-UHFFFAOYSA-N
-rxn:4:214183:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c2)c1,LVWFWLWXVOONDM-UHFFFAOYSA-N
-rxn:4:214192:223489,CCN(CC)c1nc(-c2ccccc2)c2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)ccc2n1,ALNDBAPODGUGRQ-UHFFFAOYSA-N
-rxn:4:214229:225182,CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(-c3ccnc(OC4CCCCC4)c3Cl)cn1)C2,UNDDFWZYFDDIKX-UHFFFAOYSA-N
-rxn:4:214258:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCN(Cc5ccc6c(c5)CCO6)CC4)nc3)c2)CC1,ASEQVHMTGWSECT-UHFFFAOYSA-N
-rxn:4:214275:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,HOPPPJLEIFWBCK-UHFFFAOYSA-N
-rxn:4:214329:224328,CCCN1C(=O)C(=Cc2nc3ccccc3c(=O)n2CC)c2cc(-c3cccc(S(=O)(=O)N4CCCCC4C)c3)ccc21,FBMOTRWATDHGHX-UHFFFAOYSA-N
-rxn:4:214331:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCOCC5)cc3)n4C)c2)cc1,BGKLCEDZXWKTAY-UHFFFAOYSA-N
-rxn:4:214650:223712,COc1ccc(-c2cnc(OCC3CCCN(C)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,IVDZKGDMODBWPP-UHFFFAOYSA-N
-rxn:4:214696:224371,COC(=O)C1CCN(c2ncc(-c3cnn(CC4CN(C5CCCC5)C4)c3)cn2)CC1,JOBUBTHRWFBHGX-UHFFFAOYSA-N
-rxn:4:214700:224011,CCN1CCN(Cc2cncc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)c2)CC1,FLQXFOIKJFAHBO-UHFFFAOYSA-N
-rxn:4:214706:224818,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,NELOXRGFUYJNJC-UHFFFAOYSA-N
-rxn:4:214709:224063,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)cn2)CC1,FLFJRUCWXYUTPV-UHFFFAOYSA-N
-rxn:4:214709:224462,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cn2)CC1,LHNQBIJEOCSTSP-UHFFFAOYSA-N
-rxn:4:214709:224582,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cn2)CC1,VVSINTGNCHHFEN-UHFFFAOYSA-N
-rxn:4:214709:224587,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)cn2)CC1,VQUPTDYQCSCCGA-UHFFFAOYSA-N
-rxn:4:214709:224588,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(CN4CCC(C)CC4)c3)cn2)CC1,PHPPSLMKPSGDRN-UHFFFAOYSA-N
-rxn:4:214709:224591,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(CN4CCC(C)CC4)c3)cn2)CC1,LAFUSWMJRCXVDA-UHFFFAOYSA-N
-rxn:4:214710:224155,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)c2)CC1,SXSHMVIGYKNHLY-UHFFFAOYSA-N
-rxn:4:214710:224462,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(C4CCN(C5CC5)CC4)cc3)c2)CC1,FRNJGUMYYTTZDL-UHFFFAOYSA-N
-rxn:4:214710:224582,CCN1CCN(S(=O)(=O)c2cncc(-c3cccc(N4CCN(C5CC5)CC4)c3)c2)CC1,DKIBOEGLVIJKMU-UHFFFAOYSA-N
-rxn:4:214710:224667,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)c2)CC1,CGWOCZXJEMPIDG-UHFFFAOYSA-N
-rxn:4:214730:224668,CCN1CCN(c2cc(F)cc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)c2)CC1,XAISFVKGEVYWBP-UHFFFAOYSA-N
-rxn:4:214748:224193,CCN1CCN(Cc2cc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)ccc2F)CC1,BEPVKEPYANUPSZ-UHFFFAOYSA-N
-rxn:4:214766:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,SFEADTLOXGEXFZ-UHFFFAOYSA-N
-rxn:4:214771:222775,CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(CN3CCC(O)CC3)c(F)c2)CC1,QITZJIFQMGWPPH-UHFFFAOYSA-N
-rxn:4:214775:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(OC2CCN(C3CCSC3)CC2)nc1,TVUHPYPAUJGJDF-UHFFFAOYSA-N
-rxn:4:214778:222434,CC(C)N1CCN(c2cc(C(F)(F)F)c(-c3ccc(C(=O)Nc4cccc(OC(F)(F)F)c4)cc3)cn2)CC1,OMVUUNJUCUHDOQ-UHFFFAOYSA-N
-rxn:4:214792:224325,COC(C)c1ncc(N2CCN(C)CC2)cc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,KFSIPHIKERMCBY-UHFFFAOYSA-N
-rxn:4:214805:224992,O=C1CCN(Cc2ccccc2-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)CC1,CJTVHDDNZAYXCT-UHFFFAOYSA-N
-rxn:4:214816:223712,COc1ccc(-c2cccc(N3CCN(Cc4csc(C)n4)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,GNVDJEZQCRIFBZ-UHFFFAOYSA-N
-rxn:4:214818:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)cc2F)CC1,BNNWLKCLROUJAS-UHFFFAOYSA-N
-rxn:4:214821:223045,CC(C)NC(=O)c1ccc(F)c(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c1,LIVKKXDLXDTEKJ-UHFFFAOYSA-N
-rxn:4:214828:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)CC1,JWGGDZGWSXPKDT-UHFFFAOYSA-N
-rxn:4:214832:223696,COc1ccccc1N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,IMQIYLXWQGINQK-UHFFFAOYSA-N
-rxn:4:214835:224846,CCC1CCC(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2)CC1,BDQJGYRCPHDIQV-UHFFFAOYSA-N
-rxn:4:214836:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,IKVGVGNJZBCUNX-UHFFFAOYSA-N
-rxn:4:214837:223294,O=C(C1CN(c2ncc(-c3csc(N4CCNCC4)n3)cc2Cl)CCO1)N1CCSCC1,ZGZRAKJQUVYUAA-UHFFFAOYSA-N
-rxn:4:214838:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl,OBBJSIUMXLFBOO-UHFFFAOYSA-N
-rxn:4:214838:226726,O=C(C1CN(c2ncc(-c3ccccc3OCC(F)(F)F)cc2F)CCO1)N1CCOCC1,NIFCTDQWTWDRKX-UHFFFAOYSA-N
-rxn:4:214855:224664,CN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)c2)CC1,VTZUZRWSNGWMRL-UHFFFAOYSA-N
-rxn:4:214855:225425,CCCCCOc1ccc(C)cc1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,LEGNXKUVMISDHR-UHFFFAOYSA-N
-rxn:4:214870:224672,CCN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,IMIBZQOCYRBVGH-UHFFFAOYSA-N
-rxn:4:214875:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)c(F)c2)CC1,JGSYKVQSNREREU-FTYYUIOPSA-N
-rxn:4:214875:227218,O=C(C1CCCN(c2ncc(-c3ccccc3OCCCF)cc2F)C1)N1CCSCC1,HDMQNUGVIMOLAW-UHFFFAOYSA-N
-rxn:4:214880:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1F,BBPGOAYZFBFYIU-UHFFFAOYSA-N
-rxn:4:214885:224992,O=C1CCN(Cc2ccccc2-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)CC1,MYFMNSODOZKUTQ-UHFFFAOYSA-N
-rxn:4:214963:223608,CCOC(=O)c1cnc2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cnn2c1Cl,XQHJSQYCMPNHPI-UHFFFAOYSA-N
-rxn:4:215025:223695,O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2ncccc21,ZJKBHTHTYYUQQD-UHFFFAOYSA-N
-rxn:4:215104:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)CC2,IFLZQVQNZZXSKH-UHFFFAOYSA-N
-rxn:4:215109:222923,Cc1ccc(-c2c3c(nn2C)CCN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)NC1CC1,GCSDRMPXFSNRBX-UHFFFAOYSA-N
-rxn:4:215141:224325,CCN1CCN(C(=O)c2cc3cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)ccc3[nH]2)CC1,UBPZJBUEWIMNPQ-UHFFFAOYSA-N
-rxn:4:215170:225537,CCN(CC)Cc1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,YQOOWURYFFHZIZ-UHFFFAOYSA-N
-rxn:4:215197:224802,COC(OC)c1ccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)c(C(F)(F)F)c1,HEQBADPWBFUCFP-UHFFFAOYSA-N
-rxn:4:215239:223571,O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)cc1,NOGXQCKPIMHEJN-UHFFFAOYSA-N
-rxn:4:215295:227056,COc1cccc(C2CC2)c1-c1cnc2n1CCc1ccccc1C21CCN(C(=O)OC(C)(C)C)CC1,XEYBYMVLPKQHHZ-UHFFFAOYSA-N
-rxn:4:215803:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(F)(F)CC4)c([N+](=O)[O-])c3)c2)CC1,JJZIUHAKLDFFPU-UHFFFAOYSA-N
-rxn:4:215803:224818,O=[N+]([O-])c1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cnc1N1CCC(F)(F)CC1,VVANWFSKLAGVEH-UHFFFAOYSA-N
-rxn:4:215826:223812,COc1ncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c(N2CCCCC2)n1,YNHZBMQNWOJTHM-UHFFFAOYSA-N
-rxn:4:215853:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CCN(C)CC3)c2)CC1,UDRDPRCOEWZWTO-UHFFFAOYSA-N
-rxn:4:215898:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)c2)CC1,ASOGQPLCVMMGGA-UHFFFAOYSA-N
-rxn:4:215907:224325,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,PGIFCNWTOIRXEC-UHFFFAOYSA-N
-rxn:4:215926:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)nc(C4CC4)n3)c3ccccc23)CC1,REQAYHOPEHHFFU-UHFFFAOYSA-N
-rxn:4:215942:223957,CN(C)C1CCN(c2cccnc2-c2cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c2)CC1,ALOGUEVZUZSVLH-UHFFFAOYSA-N
-rxn:4:215944:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2F)CC1,DGJWXXANUUMWJE-UHFFFAOYSA-N
-rxn:4:215955:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(N(C)C)CC3)c2)CC1,YDLRFKITVNCVIE-UHFFFAOYSA-N
-rxn:4:215957:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccnc3N3CCC(N(C)C)CC3)c2)CC1,OUMSWOZPBJGDAL-UHFFFAOYSA-N
-rxn:4:215961:224325,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,REBDTIHTPLJQIL-UHFFFAOYSA-N
-rxn:4:215979:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(N3CCCCC3C)nc(C(C)C)n2)cc1,ZJSIHOZFAGGENG-UHFFFAOYSA-N
-rxn:4:215990:225638,CC1CCN(c2ccc(-c3ccc(N4CCN(C5CCN(C)CC5)CC4)cc3)cn2)CC1,OYXDNIRRIDNSQH-UHFFFAOYSA-N
-rxn:4:216160:223970,Cc1ccc(-c2cc3nc(N4CCOCC4)sc3cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)CC1,BQBZLHZJUMGTMM-UHFFFAOYSA-N
-rxn:4:216207:222465,COc1nccc2c1c(-c1cc(C3CCCCC3)nc(C3CCCNC3)c1)nn2C1CCCCO1,JVDIGFZHIYVFMM-UHFFFAOYSA-N
-rxn:4:216299:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CCc4nc5ccccn5c(=O)c4C3)ccc2OC)CC1,TUUMFBQKKXBKQE-UHFFFAOYSA-N
-rxn:4:216319:225596,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(Cl)c(CN5CCCC5)c4)ccc3S2(=O)=O)n1,LBMQEPBEWRXFGI-UHFFFAOYSA-N
-rxn:4:218616:222869,CC(C)CNC(=O)c1cc(-c2cn(C)nc2CN2CCN(C(=O)OCc3ccccc3)CC2)ccc1F,SNQSIVDXIZQTMP-UHFFFAOYSA-N
-rxn:4:218681:225367,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnc(N5CCC(F)(F)CC5)nc4)cn3)CC2)CC1,PZFOFWLFQHTPCN-UHFFFAOYSA-N
-rxn:4:218711:226618,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4ccccn4)nc3)CC2)CC1,SPZWJOMMGKRFDX-UHFFFAOYSA-N
-rxn:4:218712:223279,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(C5CCCN5)nc4)c3C)CC2)c(C)c1,WYVKACPNKCSOLT-UHFFFAOYSA-N
-rxn:4:218718:224258,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4ccc(C(=O)N5CCCCC5C)cc4Cl)cc3)c(C)nn12,MQZREYMHFPMDTF-UHFFFAOYSA-N
-rxn:4:218824:224325,CN(CC1CN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1)S(=O)(=O)C1CC1,WXWTUFGPSANOGQ-UHFFFAOYSA-N
-rxn:4:218868:225923,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCCC4)nc3Cl)cc2)no1,GMDDEGBOGVCHPF-UHFFFAOYSA-N
-rxn:4:218868:226374,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cncnc3C3CCCCC3)cc2)no1,PCWRJWXAMIEXPD-UHFFFAOYSA-N
-rxn:4:218878:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCC(COc5ncccn5)CC4)c3)c2)CC1,MLBOPDKKIZAAJW-UHFFFAOYSA-N
-rxn:4:218893:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCC(COc5ccncc5)C4)c(C#N)c3)c2)CC1,PXGVYNQQUCBDBZ-UHFFFAOYSA-N
-rxn:4:218896:224830,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)nn3C3CCCCO3)cn2)C1,KBHXVGMXOBFTSZ-UHFFFAOYSA-N
-rxn:4:218920:222584,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)nc1,GXVDCDLIOZHBDR-UHFFFAOYSA-N
-rxn:4:218963:224815,Cn1ncc(-c2ccc(-n3ccnc3)cc2C(F)(F)F)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KKURINVZRZLPDL-UHFFFAOYSA-N
-rxn:4:218992:228103,CC(C)Cc1ncc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cn1,LDSYUBLWTFYPQV-UHFFFAOYSA-N
-rxn:4:219011:227449,CN(c1cnc(-c2ccc(C3CCOCC3)s2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,QGJYDLJZFWYEIO-UHFFFAOYSA-N
-rxn:4:219042:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2C)CC1,TXKTYOGAXTZQJW-UHFFFAOYSA-N
-rxn:4:219043:227999,CC(C)c1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(F)c1,OKBVSCZQLHAORW-UHFFFAOYSA-N
-rxn:4:219076:225366,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C(C)(F)F)cc4C(F)(F)F)cc3)n[nH]2)CC1,QCBIZQYATJXYAH-UHFFFAOYSA-N
-rxn:4:219093:224570,CCC(=O)C1=C(c2ccc(-c3ccc(C(C)N4CCN(C)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,AFJAMMVYHQOHDL-UHFFFAOYSA-N
-rxn:4:219130:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c3ccccc23)CC1,ISDKQHLGUXSNHV-UHFFFAOYSA-N
-rxn:4:219334:224713,CCCCOc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)c(C(F)(F)F)c1,FASOUEFGMVYHPW-UHFFFAOYSA-N
-rxn:4:219388:224846,CCC1CCC(c2ccc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)cc2)CC1,DBQYUUNZHQCZIA-UHFFFAOYSA-N
-rxn:4:219388:225055,CC1CCCN(c2ccc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)c(Cl)c2)C1,PKOBRIBCBHLFCE-UHFFFAOYSA-N
-rxn:4:219410:222893,CCOC(=O)c1n[nH]c2cc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)ccc12,MMJSRCOCXBHCRL-UHFFFAOYSA-N
-rxn:4:219458:222537,COc1ccnc(N2CCN(Cc3ccccc3-c3cc(C4CCCC4)nc(C4CCCNC4)c3)CC2)n1,FFRQUHPFCZOEJC-UHFFFAOYSA-N
-rxn:4:219473:222574,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1cc(C(=O)NCc2ccccc2)ccc1Cl,KVQVDMJASACNDU-UHFFFAOYSA-N
-rxn:4:219477:225050,CC1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)CC1,LNYMLFKWZIEKTE-UHFFFAOYSA-N
-rxn:4:219477:225223,CC1CCN(c2cc(F)c(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cn2)CC1,UPRVIXDHMYGHDB-UHFFFAOYSA-N
-rxn:4:219479:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(Cl)c(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)c1,NRSWJSDNDUWBAG-UHFFFAOYSA-N
-rxn:4:219479:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(Cl)c(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)c1,SWROJGVRDOLGCZ-UHFFFAOYSA-N
-rxn:4:219497:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)cn1,ZPXAMAHPTASSRP-UHFFFAOYSA-N
-rxn:4:219498:224782,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,APOIZNGPYLCQIV-UHFFFAOYSA-N
-rxn:4:219501:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,BFXZSUGAPBPZKK-UHFFFAOYSA-N
-rxn:4:219501:227252,CCCOc1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1Cl,KJNJSJONEOGFPB-UHFFFAOYSA-N
-rxn:4:219506:222959,Cc1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)ccc1C1CCNCC1,XCEKIDWNPQOGBS-UHFFFAOYSA-N
-rxn:4:219529:227829,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccccc1C1CCC1,TWAMTFRXFKNZSM-UHFFFAOYSA-N
-rxn:4:219533:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)cc1C,LQIZDDSXALJEEO-UHFFFAOYSA-N
-rxn:4:219535:225827,CN1CCN(c2cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)ccn2)CC1,PPLSKQFEPZWXNZ-UHFFFAOYSA-N
-rxn:4:219569:222725,CCNS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])c(OC)cc2N2CCC(N3CCN(C)CC3)CC2)c(C(F)(F)F)c1,MRKSQKAKPJUGDQ-UHFFFAOYSA-N
-rxn:4:219654:222607,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cc23)CC1,QVQJBTDFFFUWIB-UHFFFAOYSA-N
-rxn:4:219654:225805,CC(c1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)s1)N1CCOCC1,COESHUUSJXGWMU-UHFFFAOYSA-N
-rxn:4:219665:224497,CCN1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)cc2)CC1,JEXYTLQXJSRCJU-UHFFFAOYSA-N
-rxn:4:219678:225688,N#Cc1ccc(N2CC3CN(S(=O)(=O)c4ccccc4-c4cnc(C5CCCCC5)c(Cl)c4)CC3C2)nc1,DMJOJQCXNYTGSR-UHFFFAOYSA-N
-rxn:4:219690:224718,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(OCCN5CCOCC5)nc4)cc32)CC1,QAFDHYYBODDVLO-UHFFFAOYSA-N
-rxn:4:219691:224751,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)c3n2)C1,ZPPRYZSLODGLBY-UHFFFAOYSA-N
-rxn:4:219705:222524,CCC1CCCCN1Cc1cn2c(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)nnc2s1,FWTXCPCXYWHBLV-UHFFFAOYSA-N
-rxn:4:219707:225898,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4cnn(CCN5CCOCC5)c4)c(Cl)cc23)CC1,FWJZRNYFRIQWDZ-UHFFFAOYSA-N
-rxn:4:219750:226495,CCN(CC)c1cc(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c(F)cn1,VTSQIUIVIKXKHX-UHFFFAOYSA-N
-rxn:4:219758:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1CC(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1,VZPDVBBBPOVPDV-UHFFFAOYSA-N
-rxn:4:219762:227986,CC(=O)C1=C(c2ccc(-c3ccc(Cl)c(C4CC4)c3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,JDDWABKTKUSGMJ-UHFFFAOYSA-N
-rxn:4:219766:225227,CC1CCN(c2ncc(-c3cncc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)c3)cc2Cl)CC1,HNCPUPWPDKGAKW-UHFFFAOYSA-N
-rxn:4:219766:226129,O=C(c1cncc(-c2cccc(CN3CCCC3)c2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,HULLUEVYDAWXQJ-UHFFFAOYSA-N
-rxn:4:219778:224759,CCn1cc(-c2nc(-c3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,KNXBKRBYNQQGHG-UHFFFAOYSA-N
-rxn:4:219862:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CC(Oc5ccnc(C)c5)C4)nc3)cc21,OCOFNTSTYRXIBZ-UHFFFAOYSA-N
-rxn:4:219876:224171,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCCC3)c(F)c2)CC1,RSRKMBNWSQXDRT-UHFFFAOYSA-N
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-rxn:4:219896:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(n4nccn4)CC3)c2)CC1,FASWNXCZEJNSSU-UHFFFAOYSA-N
-rxn:4:219917:223960,CCN1CCN(C(=O)c2cc(-c3ccccc3S(=O)(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)ccc2F)CC1,HXAKAPWXJATPOF-UHFFFAOYSA-N
-rxn:4:219952:223993,Cc1cc(-n2nnc(C(=O)N3CCCC3)c2C)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,QRVVKASJENCSDP-UHFFFAOYSA-N
-rxn:4:219963:223992,Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncncc4C)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,VUZHRXWPAAVMIB-UHFFFAOYSA-N
-rxn:4:219975:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c(F)c2)CC1,UBGSDFNPUWDBEW-RSSXGHEXSA-N
-rxn:4:219995:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(N3CCN(c4ccnc(C5CC5)n4)CC3)c2)CC1,IMYBHKNRRYSKQC-UHFFFAOYSA-N
-rxn:4:219995:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(N4CCN(c5ccnc(C6CC6)n5)CC4)c3)c2)CC1,CIIJQBMMBUWBCL-UHFFFAOYSA-N
-rxn:4:219995:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCN(c5ccnc(C6CC6)n5)CC4)c3)cc2)CC1,UEAZOAYZSUIHMX-UHFFFAOYSA-N
-rxn:4:219996:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(c5ccnc(C6CC6)n5)CC4)cc3)cc2)CC1,YBCYSTOHEZIWDN-UHFFFAOYSA-N
-rxn:4:219996:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)cc2)CC1,KKBIXMUVBLZTJG-UHFFFAOYSA-N
-rxn:4:220141:227683,Cn1nc2cc(-c3ccc(C#N)cc3[N+](=O)[O-])ccc2c1C(=O)N1CCC(N2C(=O)CSC2=O)C1,HPWQGRGLHQDBAU-UHFFFAOYSA-N
-rxn:4:220156:225010,O=C(c1nnn2c1COC(c1ccc(-c3ccc(F)c(CN4CCCCC4)c3)cc1)C2)N1CCSCC1,BDXHDDSPQFXSEC-UHFFFAOYSA-N
-rxn:4:220204:223179,CONC(=O)c1cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)ccc1F,IXIVFYDRMORIMW-UHFFFAOYSA-N
-rxn:4:220209:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCCc4cnc(N5CCOCC5)nc43)c2)CC1,FJGOVGFBQQXMHS-UHFFFAOYSA-N
-rxn:4:220413:223992,Cc1ccc(-c2cnc(N3CCC(N(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,CNVGUQVSAZBBHE-UHFFFAOYSA-N
-rxn:4:220415:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)c3ccccc23)CC1,AMMQHNTWGLCUKJ-UHFFFAOYSA-N
-rxn:4:220430:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,GZKPBJLMYNBRTC-UHFFFAOYSA-N
-rxn:4:220533:223712,COc1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,LVRZULJXPGTURH-UHFFFAOYSA-N
-rxn:4:220534:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3=Nn4c(nnc4C4CCCCC4)SC3)cc2)cc1,LUZHIXRKYMYMAK-UHFFFAOYSA-N
-rxn:4:220546:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCN(c5ncnc6c5CCC6)CC4)cc3)c2)CC1,KXZXCQHZRZPVFZ-UHFFFAOYSA-N
-rxn:4:220546:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(c5ncnc6c5CCC6)CC4)cc3)cc2)CC1,XITXVWBKWIJFCM-UHFFFAOYSA-N
-rxn:4:220546:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)cc2)CC1,XRHXNQCLWQFWKT-UHFFFAOYSA-N
-rxn:4:220935:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2F)CC1,BUBWFVHYFIAELF-UHFFFAOYSA-N
-rxn:4:221110:228676,CCCCn1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)cn1,GGPASPJSHCOPIV-UHFFFAOYSA-N
-rxn:4:221114:226007,CCOc1ccc(-c2ccc(F)c(OCC(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,NJHDUVFQNOPXTC-UHFFFAOYSA-N
-rxn:4:221116:228813,CCOc1ccc(-c2ccc(Cl)c(SC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,SUCLRVMBZPIQLE-UHFFFAOYSA-N
-rxn:4:221152:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c3ccccc23)CC1,UWVIWINACXBTRI-UHFFFAOYSA-N
-rxn:4:221175:223252,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)c5c(c4)NCCO5)cn3)C2)C(=O)C1=O,XTFLXWHDEMACIY-UHFFFAOYSA-N
-rxn:4:221175:227893,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(CN(C)C)c4)cn3)C2)C(=O)C1=O,RFVLUSZVFBPNJS-UHFFFAOYSA-N
-rxn:4:221175:228187,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(COC)cc4Cl)cn3)C2)C(=O)C1=O,UYVLXQIBNBYPQH-UHFFFAOYSA-N
-rxn:4:221175:228607,CCc1cc(-c2cnc(OC3CCN(C(=O)N4CCN(CC)C(=O)C4=O)C3)nc2)ccc1Cl,YUZJITJVDCNTIB-UHFFFAOYSA-N
-rxn:4:221180:222584,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)nn1C,UMENZNCBXSYPEJ-UHFFFAOYSA-N
-rxn:4:221180:223973,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(N5CCCC(C)C5)cc4C(F)(F)F)cn3)CC2)nn1C,NGOFGWNOUIOXIP-UHFFFAOYSA-N
-rxn:4:221180:224963,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cccc(COC5CCOCC5)c4)cn3)CC2)nn1C,YBDMSJUAZOROLK-UHFFFAOYSA-N
-rxn:4:221181:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c2)CC1,BHDXAAJMVJQPEM-UHFFFAOYSA-N
-rxn:4:221191:222632,Cc1cc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)nc(C2CC2)n1,MVYIDEXSYKQELZ-UHFFFAOYSA-N
-rxn:4:221205:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,JRACEZQSNSDOLC-UHFFFAOYSA-N
-rxn:4:221209:222882,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)ccc4C(=O)NC(C)(C)C)cc3)CC2)n1,IGBAJMWGOADDSF-UHFFFAOYSA-N
-rxn:4:221232:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)c1,JEVRITLIFSIFET-UHFFFAOYSA-N
-rxn:4:221249:225943,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C(=O)N6CCOCC6)s5)cnn4c3)cc2)CC1,NRTNIJMWMWXYRB-UHFFFAOYSA-N
-rxn:4:221313:224254,CC1CCCN(C(=O)c2cc(-c3cncc(C(=O)N4CC(S(=O)(=O)c5nncn5C)C4)c3)ccc2F)C1,RHOCDDJYXSHIEQ-UHFFFAOYSA-N
-rxn:4:221329:223606,CSc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(N2CC(Cn3cc(C)cn3)C2)n1,VKXDPWKOTKJYNW-UHFFFAOYSA-N
-rxn:4:221366:223569,Cc1cncc(N2CCCC(COc3ncc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)cn3)C2)n1,LELLEYHUGRDNBM-UHFFFAOYSA-N
-rxn:4:221395:222429,O=C(NCc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1)c1ccc(F)cc1C(F)(F)F,BCTFFUHQOPLMFT-UHFFFAOYSA-N
-rxn:4:221395:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)ccc2OC)CC1,OLKIWHNSPUFMHN-UHFFFAOYSA-N
-rxn:4:221398:225338,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(COCC(F)(F)F)c4)cn3)CC2)CC1,UGENBIFQRMGUEN-UHFFFAOYSA-N
-rxn:4:221413:223816,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cc2c(Cl)ccnc21,QRJCRYYRTZCIOP-UHFFFAOYSA-N
-rxn:4:221421:225918,CCOC(=O)c1cc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c(F)cc1Cl,RDOLQVRUKDRPFB-UHFFFAOYSA-N
-rxn:4:221425:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)c3)c2Cl)CC1,ZLHGHPGGXWGIIW-UHFFFAOYSA-N
-rxn:4:221429:223828,CCN1CCN(c2cc(-c3ccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)cc(C(F)(F)F)c2)CC1,WXNUNHHRVHHRIC-UHFFFAOYSA-N
-rxn:4:221432:223143,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4cccc(N5CCC(O)C5)c4)c3)CC2)n1,VKSYPXHIFGMNPC-UHFFFAOYSA-N
-rxn:4:221434:222453,O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1,KWLBRIUSLJWNGE-UHFFFAOYSA-N
-rxn:4:221436:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1,YHQJFSGZXVBWTM-UHFFFAOYSA-N
-rxn:4:221440:225454,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5=CCN(C)CC5)cc4)cc3)CC2)n1,JOKXIOLMSBADMK-UHFFFAOYSA-N
-rxn:4:221440:226946,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCN(C)C5)cc3)CC2)n1,KQIXYTPHUOHHHR-UHFFFAOYSA-N
-rxn:4:221440:227270,CCOCc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,VQNGEEUKMVHHFI-UHFFFAOYSA-N
-rxn:4:221440:227413,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)cc4F)cc3)CC2)n1,YPBPXHBHLDUBED-UHFFFAOYSA-N
-rxn:4:221443:224355,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc(N5CCC6(CC5)OCCO6)nc4)c3)CC2)n1,GKKHXZAYDZVMMO-UHFFFAOYSA-N
-rxn:4:221449:222969,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC5CC5)cc4)cc3)CC2)n1,TWKUUMBPFFFYGB-UHFFFAOYSA-N
-rxn:4:221451:227676,COc1c(F)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc(C)c1Cl,HJTGPYYXZLOTOW-UHFFFAOYSA-N
-rxn:4:221452:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cnc(C5CCCN5)nc4)c3)CC2)n1,BTBABCFMFAOEHL-UHFFFAOYSA-N
-rxn:4:221455:226721,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc(OC)n1,POOAGAAYYYFDSY-UHFFFAOYSA-N
-rxn:4:221456:227891,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4CN(C)C)cc3)CC2)n1,IJNYPVLZYFKWJL-UHFFFAOYSA-N
-rxn:4:221456:227892,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN(C)C)cc4)cc3)CC2)n1,MMPDSDGNOVDVPJ-UHFFFAOYSA-N
-rxn:4:221456:227893,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CN(C)C)c4)cc3)CC2)n1,NKHQTOPIZTYQHG-UHFFFAOYSA-N
-rxn:4:221456:228018,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C5CC5)c4)cc3)CC2)n1,RGEKMJOIQSLOAL-UHFFFAOYSA-N
-rxn:4:221456:228225,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cnc4C4CC4)cc3)CC2)n1,VBVXXYGYHFOHDS-UHFFFAOYSA-N
-rxn:4:221456:228234,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C5CC5)ccnc4F)cc3)CC2)n1,AXUJJBXGUNHTTM-UHFFFAOYSA-N
-rxn:4:221478:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CC4CN(C(=O)c5ccc6nccnc6c5)C4)c3)ccc2F)CC1,KFQZZNSREKZMRB-UHFFFAOYSA-N
-rxn:4:221520:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(N2CCC(COc3cc4c(nn3)CCCC4)CC2)nc1,GQUDPUUEOXSTMT-UHFFFAOYSA-N
-rxn:4:221521:224849,Cc1nc2c(c(N3CCCC(COc4ncc(-c5cc(C6CCCC6)cc(C6CC6)c5)cn4)C3)n1)CCC2,GPOGGVKKZFKHIO-UHFFFAOYSA-N
-rxn:4:221585:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncccn5)C4)c3)cc2[N+](=O)[O-])CC1,PFXUWZXCELQMRW-UHFFFAOYSA-N
-rxn:4:221726:225191,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cnc(OC4CCCCC4)cc3F)cn2)CC1,NUHQGZIAHHIENJ-UHFFFAOYSA-N
-rxn:4:221752:223945,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2)n(C)c1=O,KIDPLSKFATYCJW-UHFFFAOYSA-N
-rxn:4:221780:226505,CC(C)COc1ncc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5C4CCCCC4)n(C)c3=O)cc2)cc1Cl,MEQLPJRKVUUQEP-UHFFFAOYSA-N
-rxn:4:221832:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,OQVOKDHOLNFDIB-UHFFFAOYSA-N
-rxn:4:221832:224662,CN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,LMBYWYSKAXJVAO-UHFFFAOYSA-N
-rxn:4:221832:224664,CN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,QUTMJZYJVPNYEF-UHFFFAOYSA-N
-rxn:4:221832:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,WYUJVXNWXANPPB-UHFFFAOYSA-N
-rxn:4:221832:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,RPJDZQONLNUGAM-UHFFFAOYSA-N
-rxn:4:221832:224670,CN1CCN(Cc2ccc(F)c(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,PAUJJTDOMKFORD-UHFFFAOYSA-N
-rxn:4:221832:224672,CCN1CCN(c2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(Cl)c2)CC1,ASCSEZQIOQINMW-UHFFFAOYSA-N
-rxn:4:221836:222891,COc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,GFYNVIGUWGQUKQ-UHFFFAOYSA-N
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-rxn:4:221836:224664,CN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,BJGKNTMGCMDCBV-UHFFFAOYSA-N
-rxn:4:221836:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,NZYQWAHTTGDFOV-UHFFFAOYSA-N
-rxn:4:221836:224670,CN1CCN(Cc2ccc(F)c(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,SJBJBMYUEQCCHF-UHFFFAOYSA-N
-rxn:4:221836:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(Cl)c2)CC1,VEWKQRSVYDRJBB-UHFFFAOYSA-N
-rxn:4:221836:225050,CC1CCN(c2cc(F)cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,AFBSGFOYXGOYEZ-UHFFFAOYSA-N
-rxn:4:221836:225215,CC1CCN(c2nccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2Cl)CC1,WFYKQCVGAKMSOU-UHFFFAOYSA-N
-rxn:4:221836:225226,CC1CCN(c2cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(F)cn2)CC1,SKNOJNYEACBOAW-UHFFFAOYSA-N
-rxn:4:221836:225228,CN1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(F)c2)CC1,YYACGRXZUFLLLO-UHFFFAOYSA-N
-rxn:4:221836:225367,O=S1(=O)N=C(N2CCCN(c3ncc(-c4cnc(N5CCC(F)(F)CC5)nc4)cn3)CC2)c2ccccc21,VQVUAENKLVSFMJ-UHFFFAOYSA-N
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-rxn:4:221917:223534,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)c4)CC3)nn2)n1,WZDAVKJERIDBLK-UHFFFAOYSA-N
-rxn:4:221965:226492,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OCCOC)ccc5Cl)cc4)CC3)nn2)CC1,BDZMSQPEJUWGPB-UHFFFAOYSA-N
-rxn:4:221965:227537,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)cc(C(=O)OC)c5)cc4)CC3)nn2)CC1,RPXCDPMMFLZEPQ-UHFFFAOYSA-N
-rxn:4:221965:227549,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5C(=O)OC)cc4)CC3)nn2)CC1,CHXOUYCKGRGLKH-UHFFFAOYSA-N
-rxn:4:221965:227694,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)nc(C(=O)OC)c5)cc4)CC3)nn2)CC1,XJCXPFYVBIAJMY-UHFFFAOYSA-N
-rxn:4:221982:223040,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)c(F)c6)cc5)no4)C3C2=O)cc1,FAOZHIRXKXXUAD-UHFFFAOYSA-N
-rxn:4:221982:225759,CCN(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1F,XZEHOKBMNWJJCN-UHFFFAOYSA-N
-rxn:4:222019:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)CC1,MTRGYPMRAPKAEV-UHFFFAOYSA-N
-rxn:4:222028:222935,CN(C)c1ccc(N2CCN(c3ncc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3C(F)(F)F)CC2)nn1,QHAKMOKAKYFLCP-UHFFFAOYSA-N
-rxn:4:222062:225167,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C(=O)N5CCCC5)c4)cc3)CC2)n1,CQJDYZLFZMBUHC-UHFFFAOYSA-N
-rxn:4:222062:227572,COC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1Cl,JDTMSIPZQLUWIO-UHFFFAOYSA-N
-rxn:4:222062:228225,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cnc4C4CC4)cc3)CC2)n1,JUXHPNRJTQYVQC-UHFFFAOYSA-N
-rxn:4:222062:228234,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C5CC5)ccnc4F)cc3)CC2)n1,BFUVWBWREYDACV-UHFFFAOYSA-N
-rxn:4:222062:228524,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(c4)CCC5)cc3)CC2)n1,YPVRNGWMPQEFTB-UHFFFAOYSA-N
-rxn:4:222062:228640,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(C)c4C)cc3)CC2)n1,ZDYQQWLEZKLKBD-UHFFFAOYSA-N
-rxn:4:222089:222584,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,CQSWLUNODOOBDP-UHFFFAOYSA-N
-rxn:4:222089:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1F,IGNSOMARUMNAAP-UHFFFAOYSA-N
-rxn:4:222089:224762,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1F)N1CCOCC1,KJYWECDQBAJBLI-UHFFFAOYSA-N
-rxn:4:222103:223945,Cc1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(-c6ccc(OCCCN7CCOCC7)c(F)c6)cc5)C(=O)C43)n2)cc1,RBLJDLDLQNATEW-UHFFFAOYSA-N
-rxn:4:222108:225178,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1F,YHDPMPVPFJQDBN-UHFFFAOYSA-N
-rxn:4:222108:225821,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,NWALNUVBMOQBHA-UHFFFAOYSA-N
-rxn:4:222165:224088,CC(C)(C)c1ccc(N2CCN(c3ncc(-c4ccc(OCCN5CCCCCC5)cc4)cn3)CC2)nn1,LPUQBEYPBCLWBL-UHFFFAOYSA-N
-rxn:4:222184:223753,Cc1ccc(-c2ccc3c(C(=O)N4CCC(n5ccnn5)CC4)n(C)nc3c2)cc1OCCCN1CCN(C)CC1,MELAGIGXOSTGPB-UHFFFAOYSA-N
-rxn:4:222211:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5cnsn5)CC4)nc3)cc2[N+](=O)[O-])CC1,WEMXMNQDDGBIHS-UHFFFAOYSA-N
-rxn:4:222273:222800,Cc1cc(-c2cncc(C(=O)N(C)C3CN(c4ccc5nnc(C6CCC6)n5n4)C3)c2)cc(C)c1S(=O)(=O)NC(C)C,ULYSYOBWSQAPLX-UHFFFAOYSA-N
-rxn:4:222331:222784,CC(C)(C)OC(=O)Nc1ccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1F,QRQPIFZXAMWBOE-UHFFFAOYSA-N
-rxn:4:222334:224125,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cn3)CC2)n1,JZHVJMAVZSQWRU-UHFFFAOYSA-N
-rxn:4:222334:225227,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCC(C)CC5)c(Cl)c4)cn3)CC2)n1,GTAYGPKNDFJVDA-UHFFFAOYSA-N
-rxn:4:222360:222693,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)cn4)CC3)ncnc21,BFBQCYRUBGRWTH-UHFFFAOYSA-N
-rxn:4:222380:222634,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCNC7CCCC7)c(F)c6)cn5)CC4C3)ncnc21,HUXOAKBXZFVYBM-UHFFFAOYSA-N
-rxn:4:222389:185982,CCOC(=O)C(F)(F)c1ncccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DFMMNMKTSDDMTC-UHFFFAOYSA-N
-rxn:4:222389:206492,COc1nc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cn1C1CCCOC1,DBINWZWRRUKVKK-UHFFFAOYSA-N
-rxn:4:222513:177486,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(C)(=O)=O)cc1OC1CC1,FIFRTJLDAWQUNN-UHFFFAOYSA-N
-rxn:4:222513:214667,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(c2ncon2)C1,VNJMLXGJDZPZBB-UHFFFAOYSA-N
-rxn:4:222581:213997,CC(C)NS(=O)(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)c2ccccc12,HBDBQHLIQOBEMK-UHFFFAOYSA-N
-rxn:4:222581:214275,CC(C)NS(=O)(=O)c1ccc(-c2ccc3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c2ccccc12,FVBYQOHULOIUCL-UHFFFAOYSA-N
-rxn:4:222623:194456,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc(C2CCNCC2)n1,UOUVSJWXEVZFDV-UHFFFAOYSA-N
-rxn:4:222630:207072,CN1CCN(c2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)ccc2C2CC2)CC1,IAXYPKHLHDNCEL-UHFFFAOYSA-N
-rxn:4:222723:219672,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c(C(=O)N2C3CCC2CC(n2nccn2)C3)c1,TYHFEUBHYTZNEE-UHFFFAOYSA-N
-rxn:4:222740:204155,Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1-c1cc(C(C)C)nc(C2CCCNC2)c1,CGCREISWYXAKOS-UHFFFAOYSA-N
-rxn:4:222741:185147,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)C1,UVRGUVABIPOSEW-UHFFFAOYSA-N
-rxn:4:222742:207843,CCN1CCN(C2CCCc3cc(-c4cc(C5CCNCC5)nc(C5CC5)c4)ccc32)CC1,CARPFWZYRZKAAH-UHFFFAOYSA-N
-rxn:4:222742:218590,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cn2)C1,NQIOYOLYFIVYSM-UHFFFAOYSA-N
-rxn:4:222891:185229,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C2CCNCC2)n1,TVFHBZPQRKMYND-UHFFFAOYSA-N
-rxn:4:223080:218851,CC(C)NS(=O)(=O)c1ccc(-c2cnc(N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1,MNJVBJZVIVKFSU-UHFFFAOYSA-N
-rxn:4:223093:185111,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2cncc(NS(=O)(=O)C(C)C)c2)CC1,AGTWXORMFLVSSG-UHFFFAOYSA-N
-rxn:4:223570:194587,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)c(F)ncc21,NIGPWEOFCFZCTK-UHFFFAOYSA-N
-rxn:4:223671:209695,CC1(C)COC(c2cncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)=N1,OKJZDGOTQGAJHM-UHFFFAOYSA-N
-rxn:4:223811:178027,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c(C2OCCO2)cc1OC,FHUSZBKQTKKOBZ-UHFFFAOYSA-N
-rxn:5:176587:223062:225607,CCOC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(C(C)N2CCCCC2)s1,CCHWPGXRMQENDS-UHFFFAOYSA-N
-rxn:5:176863:225976:225931,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)cc(OC)c1-c1cc(C)cc(S(=O)(=O)N(C)C)c1,JQWOUYOMIOOKMY-UHFFFAOYSA-N
-rxn:5:177181:223062:222980,CC(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(CN3CCNCC3)cc2)c1,FRLRYXRPMIFAKO-UHFFFAOYSA-N
-rxn:5:177187:225928:225613,CCOC(=O)c1cc(C)cc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c1-c1ccnc(OC2CCCCC2)c1,MEHIKMGSTKHDAC-UHFFFAOYSA-N
-rxn:5:177190:223056:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2ccc(N3CCC(O)CC3)nc2)c1,AEWDBZUSFCFRCQ-UHFFFAOYSA-N
-rxn:5:177190:225805:225985,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,ZOCHPEDGTRYGKT-UHFFFAOYSA-N
-rxn:5:177373:225930:223138,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2OCC2OCCO2)c1,OQICQQAWVGGAEN-UHFFFAOYSA-N
-rxn:5:177729:223054:223139,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(C4CCNCC4)nc3)c2)s1)N1CCC(O)C1,RYEZCPFMGLQZMA-UHFFFAOYSA-N
-rxn:5:177730:225438:223064,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(C(=O)OC(C)(C)C)c2)cc1)N1CCCC1,SXGFPEVCZUYGMS-UHFFFAOYSA-N
-rxn:5:177732:223062:226664,CC(C)(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCCC3)ncc2F)c1,FNUMTTJLMXXTMR-UHFFFAOYSA-N
-rxn:5:177732:223065:225926,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,QIEBAAMOYFFHNM-UHFFFAOYSA-N
-rxn:5:177732:225784:223061,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2cc(C3CCNCC3)ncc2F)c1,LFAAWBZWHXPNJI-UHFFFAOYSA-N
-rxn:5:177733:223018:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,WPZVHAYXUXUSHQ-UHFFFAOYSA-N
-rxn:5:177734:225870:223294,Cc1cc(-c2cc(F)cc(N3CCOCC3)c2)c(-c2csc(N3CCNCC3)n2)cc1C(=O)OC(C)C,AQHJFYOIZMJRRG-UHFFFAOYSA-N
-rxn:5:177736:225976:225849,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,SEHIRCQPQBAYAL-UHFFFAOYSA-N
-rxn:5:177737:225453:225802,CC(C)(C)OC(=O)c1cc(-c2ccc(OC3CCCC3)nc2F)ccc1-c1cccc(SC2CCCCC2)c1,NVKPQBRHODFDPG-UHFFFAOYSA-N
-rxn:5:177737:225976:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccnc(N2CCOCC2)c1F,BYACPFNKPCPLTR-UHFFFAOYSA-N
-rxn:5:177739:223054:227387,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccnc(N3CCCC3)c2)s1)N1CCC(O)C1,ZEKYNWLGORSKIO-UHFFFAOYSA-N
-rxn:5:177739:223056:225834,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1cc(N2CCCCC2)ncc1F,JAYZKXFQFQVAAR-UHFFFAOYSA-N
-rxn:5:177739:223061:225849,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cnc(N2CCCCC2)cc1F,XAVZYRWIRWXNHQ-UHFFFAOYSA-N
-rxn:5:177739:225655:226663,CC1CCN(c2cncc(-c3cccc(C(=O)OC(C)(C)C)c3-c3ccc(N4CCSCC4)nc3)c2)CC1,CCUKNUAIQHJOCM-UHFFFAOYSA-N
-rxn:5:177739:225849:226663,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCCCC3)cc2F)c1-c1ccc(N2CCSCC2)nc1,DNDJMPYFCSNNKQ-UHFFFAOYSA-N
-rxn:5:177739:226330:223062,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2cnc(C3CCNCC3)cc2F)s1)N1CCCC1,NSVWBNUECRLEST-UHFFFAOYSA-N
-rxn:5:177850:225607:228971,CCOc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1csc(C(F)(F)F)c1,BDKBWEITPKZIFC-UHFFFAOYSA-N
-rxn:5:177891:222404:223136,O=C1NC(=O)C(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccncc3C3CCCNC3)cc2)N1,JZNKMUQGAFYMNM-UHFFFAOYSA-N
-rxn:5:177891:222404:227093,O=C1NC(=O)C(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cccnc3C3CCCC3)cc2)N1,YBYOTBYOKWYLCU-UHFFFAOYSA-N
-rxn:5:177891:222419:226177,NS(=O)(=O)c1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCCC3)c2)c1,VKDYGADMANAFQW-UHFFFAOYSA-N
-rxn:5:177891:223135:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1cccnc1C1CCCNC1,SCZONDOYSAQLNY-UHFFFAOYSA-N
-rxn:5:177891:225407:222421,NS(=O)(=O)c1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCCCC3)cc2)c1,ITPJGNHFDOAALP-UHFFFAOYSA-N
-rxn:5:177891:225633:222404,O=C1NC(=O)C(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(N4CCCCCC4)nc3)cc2)N1,ZCASCNFYNWQFHO-UHFFFAOYSA-N
-rxn:5:177891:225633:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCCCCC3)nc2)c1,OBIPUOAIZHJMFO-UHFFFAOYSA-N
-rxn:5:177891:225677:222404,O=C1NC(=O)C(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4CCCCC4)nc3F)cc2)N1,UYLOMWZMDCMVPE-UHFFFAOYSA-N
-rxn:5:177891:225799:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1cncc(OC2CCOCC2)c1,WFWFJILFIIWCJI-UHFFFAOYSA-N
-rxn:5:177891:226364:223288,CNS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCCCC3)nc2)c1,FHRWIDJPWNCDOK-UHFFFAOYSA-N
-rxn:5:177891:226643:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccc(N2CCOCC2)nc1,RULWSFBIBCYRNF-UHFFFAOYSA-N
-rxn:5:177891:226649:225943,O=C(SC1CS(=O)(=O)CC1c1ccc(C(=O)N2CCOCC2)s1)c1ccccc1-c1cccnc1N1CCOCC1,INOYYLMCOXQAQY-UHFFFAOYSA-N
-rxn:5:177891:226665:225601,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCCOC4)nc3)c(F)c2)CCC1,SOXDXBVMXUTNCK-UHFFFAOYSA-N
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-rxn:5:177891:227085:223288,CNS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCC3)nc2)c1,ARXSPPICCRSIMH-UHFFFAOYSA-N
-rxn:5:177891:227437:226729,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCOC2)nc1)c1ccccc1-c1ccnc(C2CCCO2)c1,UBWKDXOSTLXLKX-UHFFFAOYSA-N
-rxn:5:177891:227517:226425,CC1CCCCN1c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3COC3)nc2)s1,CDBYUSJUNFGWDR-UHFFFAOYSA-N
-rxn:5:177891:227626:223138,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNCC2)c1)c1ccccc1-c1cnc(C2CCOC2)nc1,PBUHYWMYDQALKF-UHFFFAOYSA-N
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-rxn:5:196794:226794:225833,O=C1COCCN1c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,ALQBZTPBKSSDDL-UHFFFAOYSA-N
-rxn:5:196858:223061:222986,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(C3CCNCC3)ncc2F)cc(C2CCCNC2)n1,FTOWBDIVPDLYBP-UHFFFAOYSA-N
-rxn:5:196869:225832:227119,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)c(-c2cc(C3CCCCC3)cs2)c1,KUOZQEFTFFDGKS-UHFFFAOYSA-N
-rxn:5:196922:225435:222988,Cc1cc(-c2cc(-c3ccccc3CN3CCCCC3)cc(N3CCCCC3=O)c2)cc(C2CCNCC2)n1,TWFGJQFUMGPPOD-UHFFFAOYSA-N
-rxn:5:196969:225455:225985,Cc1ccc(N2CCCCC2)cc1-c1cnc(C2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,KRGZKRDSXKBKEC-UHFFFAOYSA-N
-rxn:5:196969:225456:225985,CN1CCC(c2ccc(-c3cnc(C4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1,ABSBPUYDJPZSIT-UHFFFAOYSA-N
-rxn:5:196969:225461:225985,Cc1cc(N2CCCCC2)ccc1-c1cnc(C2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,JJVPRCWFNZLKGN-UHFFFAOYSA-N
-rxn:5:196969:225985:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(C2CCCCC2)ncc1-c1cccc(N2CCCS2(=O)=O)c1,DTRNOLOWPBBGSV-UHFFFAOYSA-N
-rxn:5:196969:225985:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(C2CCCCC2)ncc1-c1cccc(N2CCCS2(=O)=O)c1,SXQRFAOYJXIDGM-UHFFFAOYSA-N
-rxn:5:196970:223008:222986,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cc(C3CCNCC3)ccc2F)cc(C2CCCNC2)n1,RDAFOKVQNKMJOF-UHFFFAOYSA-N
-rxn:5:196970:223064:222988,Cc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)n1,ZVQJWPPPLPDZGV-UHFFFAOYSA-N
-rxn:5:196970:225832:222960,Cc1cc(-c2nccc(C3CCCCC3)c2-c2c(C)nn(C3CCCCO3)c2C)cc(C2CCNCC2)c1,CLAILNDWAIXXAI-UHFFFAOYSA-N
-rxn:5:196970:225985:225465,CN1CCC(c2cccc(-c3nccc(C4CCCCC4)c3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,AGQLEXSNOSWOHU-UHFFFAOYSA-N
-rxn:5:196971:226452:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3OCCCO3)cc2)ncc1C1CCCCC1,VLSWMMOVUZNYCU-UHFFFAOYSA-N
-rxn:5:196971:227449:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCOCC3)s2)ncc1C1CCCCC1,BVFRWKPVWZIXAG-UHFFFAOYSA-N
-rxn:5:197876:225602:225581,CC(C)(C)N1C(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)c(-c3cc(C4(C#N)CCC4)ccc3F)cc2S1(=O)=O,DCOLKOSTPSVMDI-UHFFFAOYSA-N
-rxn:5:197876:225880:228591,CC(C)c1cnccc1-c1cc2c(cc1-c1cc(C3CCOCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LZOMNKWNXCFEFX-UHFFFAOYSA-N
-rxn:5:197876:226342:226916,COC(=O)c1c(C)cc(-c2cc3c(cc2-c2cccc(C4=CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,YXRHYYVPUBUKIP-UHFFFAOYSA-N
-rxn:5:197876:226437:227820,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ODMFRUZKTZDKDI-UHFFFAOYSA-N
-rxn:5:197876:227438:226645,CC(C)(C)N1C(=O)c2cc(-c3ccnc(N4CCOCC4)c3)c(-c3ccnc(C4CCOC4)c3)cc2S1(=O)=O,LAQGZPXMKJDKPR-UHFFFAOYSA-N
-rxn:5:197919:225978:222987,Cc1nc(C2CCNCC2)ccc1-c1cccc(N2Cc3cc(-c4ccc(N5CCOCC5)nc4F)ccc3OCC2=O)c1,KJLSZHGVTDVICN-UHFFFAOYSA-N
-rxn:5:222985:183189:222998,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)cc2c1OC(C)(C)OC2,HZHYVPGVNQMAKX-UHFFFAOYSA-N
-rxn:5:225454:193869:228201,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCC2)nc1,HRMDVNCHUQDFCH-UHFFFAOYSA-N
-rxn:5:225454:193870:228701,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CC3)nc2)cc1-c1ccc(C2=CCN(C)CC2)cc1,NYPWPSOGLYWEKN-UHFFFAOYSA-N
-rxn:5:225454:193870:228708,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncnc2C2CC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,MTRVHLFCULNHPM-UHFFFAOYSA-N
-rxn:5:225454:193972:228701,Cc1cc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C2CC2)nc1,WGNPGBJAPIPNAE-UHFFFAOYSA-N
-rxn:5:225465:193972:229225,CCn1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(C4CCN(C)CC4)c3)cc2C)cn1,UBUSAHJGXIWAQH-UHFFFAOYSA-N
-rxn:5:225507:190194:227932,COCc1ccc(C)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc3c(c2)CCC3C(=O)OC)c1,GCRNCICMHJAKNN-UHFFFAOYSA-N
-rxn:5:225636:181907:225683,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,XFVBFZVXRJPQCP-UHFFFAOYSA-N
-rxn:5:225653:181907:222987,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,RHQIMDUNPYLCOU-UHFFFAOYSA-N
-rxn:5:225655:196977:225986,CC1CCN(c2cncc(-c3ccc(N4CCCCC4)cc3-c3ccccc3N3CCCS3(=O)=O)c2)CC1,VMDMYKYNKAXCLX-UHFFFAOYSA-N
-rxn:5:225656:196978:225985,CC1CCCCN1c1cncc(-c2ccc(N3CCCCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)c1,VXTOSNQDBXUOFT-UHFFFAOYSA-N
-rxn:5:225672:181624:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(F)nc(C3CCCCC3)c2)ccc1C1OCCO1,CQGRDERAXHWWRF-UHFFFAOYSA-N
-rxn:5:225677:196969:226654,CC1CCN(c2nc(-c3cc(C4CCCCC4)ncc3-c3ccc(C4CCCCC4)nc3F)cs2)CC1,PTTPMVVPFIELLP-UHFFFAOYSA-N
-rxn:5:225832:182011:226685,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1cnc(C2CCOCC2)nc1,FCVOOGRJVOWCQR-UHFFFAOYSA-N
-rxn:5:225832:196408:226374,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncnc2C2CCCCC2)ccc1C1=NOCCO1,HSYITRKWZNCGOB-UHFFFAOYSA-N
-rxn:5:225832:196858:226177,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1ccnc(C2CCCCC2)c1,PYPSXNCZVYRMFG-UHFFFAOYSA-N
-rxn:5:225832:196969:227103,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1sccc1C1CCCCC1,KFRCPKAJFIPRIB-UHFFFAOYSA-N
-rxn:5:225833:196668:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(N3CCCCC3)c2F)ncc1C1CCCC1,YIGZZAQSGJPWAT-UHFFFAOYSA-N
-rxn:5:225871:192569:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(C(=O)N2CCC2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,YMOHVQHREPBIAF-UHFFFAOYSA-N
-rxn:5:225976:181908:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(N3CCOCC3)c2F)cc(C2CCCNC2)n1,JKQAHXQURISUFZ-UHFFFAOYSA-N
-rxn:5:225976:193506:228578,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2-c2ccc(C3CC3)nc2)CC1,KRCQWINVUSCGFM-UHFFFAOYSA-N
-rxn:5:225976:193506:228584,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2-c2ccnc(C3CC3)c2)CC1,XGPYXIAGCRNAKE-UHFFFAOYSA-N
-rxn:5:225985:193158:225639,CC1CCN(c2ncccc2-c2c(CN3CCCC3)cccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,CFPJQXUKIUETNM-UHFFFAOYSA-N
-rxn:5:225985:193808:226366,CC1CCN(Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccnc(N3CCCCC3)c2)CC1,ZBBLTZGXBMBZGD-UHFFFAOYSA-N
-rxn:5:225985:193808:226395,CC1CCN(Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cncc(N3CCCCC3)c2)CC1,AIUZKFZKWYLZKD-UHFFFAOYSA-N
-rxn:5:225986:193156:225639,CC1CCN(c2ncccc2-c2cc(CN3CCCC3)cc(-c3ccccc3N3CCCS3(=O)=O)c2)CC1,SYSPKZPTCAUSSB-UHFFFAOYSA-N
-rxn:5:225986:196408:225515,CC1(C)COc2cccc(-c3ccc(C4=NOCCO4)c(-c4ccccc4N4CCCS4(=O)=O)c3)c2OC1,LCXAKCPAWUYUKK-UHFFFAOYSA-N
-rxn:5:226059:178295:227942,CCc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,QNKFUYWAESKHIZ-UHFFFAOYSA-N
-rxn:5:226061:178295:228505,CCCc1ccc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,JROXEDOYHZNCBG-UHFFFAOYSA-N
-rxn:5:226069:178295:227941,COCc1cc(C)cc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,OULOEGDECHVSBU-UHFFFAOYSA-N
-rxn:5:226140:178295:228507,CCCc1cccc(-c2ccc(-c3cc(C(C)(C)C)ccc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SPBNUSKKKQJSNE-UHFFFAOYSA-N
-rxn:5:226154:178295:228592,COC(=O)C1(c2cc(-c3cncc(C(C)C)c3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,YCALJDKYNJSFIW-UHFFFAOYSA-N
-rxn:5:226189:189210:228490,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(S(=O)(=O)F)c2)cccc1-c1ccc(C2CCCC2)c(F)c1,PREUYIDHRPXJPH-UHFFFAOYSA-N
-rxn:5:226217:178295:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cc3cc(C)cc(OC)c3s2)CCC(=O)CC1,PUMMUARZHRTIPW-UHFFFAOYSA-N
-rxn:5:226322:178295:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,GDPLSMMWLVGCOV-UHFFFAOYSA-N
-rxn:5:226322:178295:228774,COC(=O)C1(c2cc(-c3c(F)cccc3OC)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,WQLFERNYWAVPQO-UHFFFAOYSA-N
-rxn:5:226366:188461:225633,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccnc(N3CCCCC3)c2)c1-c1ccc(N2CCCCCC2)nc1,JTAJLHOXAQQNFJ-UHFFFAOYSA-N
-rxn:5:226414:189540:225985,COC1CN(Cc2cc(-c3ccc(C4=NCCCO4)cc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)C1,VOYBVIFOJRHHAC-UHFFFAOYSA-N
-rxn:5:226432:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCC4)nc3F)cc2-c2ccnc3c2OCCO3)CC1,QJXZEDKQBFLEKM-UHFFFAOYSA-N
-rxn:5:226437:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)ncc3F)cc2-c2ccnc3c2OCCO3)CC1,NOGJSEWWHBUVTK-UHFFFAOYSA-N
-rxn:5:226438:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)cc3F)cc2-c2ccnc3c2OCCO3)CC1,KWIHQVRQRIZSPU-UHFFFAOYSA-N
-rxn:5:226440:193506:228292,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCCC4)c3)cc2-c2ccnc3c2OCCO3)CC1,IAKCBWGEPUPLLH-UHFFFAOYSA-N
-rxn:5:226686:193333:223138,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1ccnc(C2CCNCC2)c1,LPVGPFMDMJANGU-UHFFFAOYSA-N
-rxn:5:226686:193542:223136,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCCCC2)c1-c1ccncc1C1CCCNC1,SCJDIZWJFMFCBC-UHFFFAOYSA-N
-rxn:5:226686:196873:222981,Cc1cnn(C2CCCCO2)c1-c1ccc(N2CCOCC2)cc1-c1ccnc(NC2CCCCC2)c1,YIYMWWDDJKLZLJ-UHFFFAOYSA-N
-rxn:5:226772:178295:228142,CCCc1cc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,YNWMAHTWRWXXGJ-UHFFFAOYSA-N
-rxn:5:226794:193506:228020,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCSCC4)nc3)cc2-c2c(F)cccc2C2CC2)CC1,NBIGCXYECBUQTL-UHFFFAOYSA-N
-rxn:5:226850:189337:223018,COc1cc(-c2cc(C(=O)N(C)C)cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2OC)cc(C(F)(F)F)n1,AOUBUCYLGXGIOT-UHFFFAOYSA-N
-rxn:5:226898:196918:226181,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cccc(N2CCCCC2=O)c1-c1ccc(C2=CCCCC2)nc1,GLTSDZRKEIDVTP-UHFFFAOYSA-N
-rxn:5:226907:178295:227979,COC(=O)C1(c2cc(-c3c(C)cc(C)cc3OC)ccc2-c2cccc3c2CCC32CC2)CCC(=O)CC1,GKVZHISCBAEGRB-UHFFFAOYSA-N
-rxn:5:226911:178295:228395,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(F)c(F)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,XAMBINGQOJZKNK-UHFFFAOYSA-N
-rxn:5:226913:178295:227917,CCc1cc(-c2ccc(-c3cc(CC)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,JEFWSRZFNKLSEM-UHFFFAOYSA-N
-rxn:5:226913:193869:227387,CCc1cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,VOXXKLKOVUXDFO-UHFFFAOYSA-N
-rxn:5:226914:178295:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,GEODMSARBGIBLY-UHFFFAOYSA-N
-rxn:5:227038:178295:228257,COC(=O)C1(c2cc(-c3c(F)cc(C)cc3OC)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,BWNCMIRYHGISPV-UHFFFAOYSA-N
-rxn:5:227045:178295:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cccc(SC(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,FIHNRJKKFGZTFW-UHFFFAOYSA-N
-rxn:5:227051:178295:228141,CCCc1cc(F)c(-c2ccc(-c3ccc(C(=O)CC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,ZLPNJRFHQZIFSD-UHFFFAOYSA-N
-rxn:5:227054:178295:227831,CCc1c(C)cc(-c2ccc(-c3ccc(C4CC4)c(OC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,MODVAUJMBXXICE-UHFFFAOYSA-N
-rxn:5:227061:178295:227907,CCC(C)c1cncc(-c2ccc(-c3cc(OC(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NTPHHDOIUASVDZ-UHFFFAOYSA-N
-rxn:5:227069:178295:227816,CCCc1ccc(-c2ccc(-c3ccc(OC)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,MNEBXTUVQMNDLL-UHFFFAOYSA-N
-rxn:5:227069:178295:227965,COC(=O)C1(c2cc(-c3c(C)ccnc3C(C)C)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,VKMCEKZEESKIOK-UHFFFAOYSA-N
-rxn:5:227070:178295:228396,CCOc1cc(C)c(C)cc1-c1ccc(-c2c(F)cc(OC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,JQPSXLTXSXVSKA-UHFFFAOYSA-N
-rxn:5:227203:193506:227416,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCCO4)cc2-c2cc(F)nc(C3CCC3)c2)CC1,OQIIFUDRURISDT-UHFFFAOYSA-N
-rxn:5:227209:178295:228000,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3OC)ccc2-c2ccc3c(c2)OC(C)(C)O3)CCC(=O)CC1,VXEVBPSBVQPDDE-UHFFFAOYSA-N
-rxn:5:227286:178295:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,SLFQLTLJSPYGEL-UHFFFAOYSA-N
-rxn:5:227299:178295:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(F)cc(CN(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NLVWSFQLDLRLJP-UHFFFAOYSA-N
-rxn:5:227309:178295:227023,CCC(C)c1cc(-c2ccc(-c3ccc(C(C)N(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,CSYKPGKGTXFVHJ-UHFFFAOYSA-N
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-rxn:5:227326:178295:228113,CCc1nc(OC)ccc1-c1ccc(-c2cc(C(=O)OC)ccc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZQJSRRATRXIHIQ-UHFFFAOYSA-N
-rxn:5:227371:178295:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2ccc(C)c(OC)c2OC)CCC(=O)CC1,GQTVRKHJNIQBRU-UHFFFAOYSA-N
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-rxn:5:227390:180022:225982,COc1c(-c2cnc(N3CCOCC3)cc2F)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,YVKDOUBBTVGULP-UHFFFAOYSA-N
-rxn:5:227447:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2c(F)ccc(C3CC3)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,HKYJZOIBEXPECU-UHFFFAOYSA-N
-rxn:5:227458:178118:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc3c(c2)OCCN3C)c(OCC2CCCCO2)c1,AAUXSEGMTSBHPW-UHFFFAOYSA-N
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-rxn:5:227530:178295:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CUTBVCRPQGLBTA-UHFFFAOYSA-N
-rxn:5:227569:178295:227867,COC(=O)C1(c2cc(-c3cccc4c3OCCC4)ccc2-c2c(OC)ccc(F)c2OC)CCC(=O)CC1,OTCWHHOUOURQAL-UHFFFAOYSA-N
-rxn:5:227591:178295:227818,CCC(C)c1cccc(-c2ccc(-c3ccc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SFDPAGJSPYHFJV-UHFFFAOYSA-N
-rxn:5:227592:190194:226064,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2)c1OC,XYDAFBBNERXZQZ-UHFFFAOYSA-N
-rxn:5:227710:193464:225794,CS(=O)(=O)Oc1ccc(-c2ccc(C3(C#N)CCCCC3)c(-c3cnc(OC4CCCCC4)nc3)c2)cc1,RZMQLNUQYKBFTP-UHFFFAOYSA-N
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-rxn:5:227815:178295:226959,CCC(C)c1ccccc1-c1ccc(-c2ccc3c(c2)CC(C)(C)O3)cc1C1(C(=O)OC)CCC(=O)CC1,GWJJGZZNISIGAP-UHFFFAOYSA-N
-rxn:5:227819:178295:227102,CCc1cc(CC)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VZDBZSPYWKPLCV-UHFFFAOYSA-N
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-rxn:5:228177:178295:227542,COCc1ccc(F)cc1-c1ccc(-c2ccc(F)cc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,HQMGZVDCEAQETF-UHFFFAOYSA-N
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-rxn:5:228210:193809:225985,CC1CCN(Cc2ccc(-c3ccc(N4CCCC4)s3)cc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,UFGWEAMZFJVNEA-UHFFFAOYSA-N
-rxn:5:228214:193506:227103,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2sccc2C2CCCCC2)CC1,KFRHCINQMXWYTG-UHFFFAOYSA-N
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-rxn:5:228292:193506:226440,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc4c3OCCO4)cc2-c2cc(F)nc(C3CCCC3)c2)CC1,JFHQALLFVOZIDQ-UHFFFAOYSA-N
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-rxn:5:228555:178295:226580,COCc1ccccc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,MOQJSBYNNTVMLT-UHFFFAOYSA-N
-rxn:5:228560:178295:226154,CCSc1ccccc1-c1ccc(-c2ccc(C(C)(C)C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,FGSBIPCUFFFHDG-UHFFFAOYSA-N
-rxn:5:228580:193506:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CC3)cc2-c2cnc(N3CCCCC3)cc2F)CC1,ZKAIZQHJIGAQGC-UHFFFAOYSA-N
-rxn:5:228582:178295:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2cnccc2C(C)C)CCC(=O)CC1,GWXGHZBPCVZEOD-UHFFFAOYSA-N
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-rxn:5:228708:193869:225454,Cc1cc(-c2cncnc2C2CC2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,BUTQMNMQGOQRHH-UHFFFAOYSA-N
-rxn:5:228721:178295:227044,COC(=O)C1(c2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2-c2ccnn2C(C)(C)C)CCC(=O)CC1,WCFXESVQXUIXPO-UHFFFAOYSA-N
-rxn:5:228987:193972:225639,Cc1cc(C)cc(-c2cc(C)c(-c3cccnc3N3CCC(C)CC3)cc2S(=O)(=O)N2CCCCCC2)c1,CGHLVLRANOITMQ-UHFFFAOYSA-N
-rxn:5:228995:193972:225470,CCc1cncc(-c2cc(C)c(-c3ccc(N4CCC(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,WZUDHYOFPWKBTJ-UHFFFAOYSA-N
-rxn:4:173459:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(Cl)cc1CC(=O)CC(=O)OC(C)(C)C,VQUVEPJGEWWFER-UHFFFAOYSA-N
-rxn:4:173520:222426,CCCCCc1ccc(C#Cc2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc2)cc1,UTAQEKDSCXFGLP-UHFFFAOYSA-N
-rxn:4:173612:222868,CCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccccc3NC(=O)OC(C)(C)C)c1)C2=O,ZAQGRQDKYMBLCY-UHFFFAOYSA-N
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-rxn:4:173645:222621,COc1cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc2cc(C(=O)OC(C)C(=O)c3ccc(F)cc3)c(=O)oc12,OJKQFZYBQMDDBG-UHFFFAOYSA-N
-rxn:4:173656:223866,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cc1)C2=O,PVOULJMTHDAEMD-UHFFFAOYSA-N
-rxn:4:173657:225775,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(OC)c(C)c(C(=O)OC)c1)C2=O,DVKWRJGQUGGCHW-UHFFFAOYSA-N
-rxn:4:173663:224379,COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccccc3-c3ccccc3S(=O)(=O)N3CCN(C)CC3)cc2oc1=O,HIWZLHMLDFZZGM-UHFFFAOYSA-N
-rxn:4:173672:222716,Cc1oc2cc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)c(OCc3ccccc3F)cc2c1C(=O)OC(C)C,NKVPXGAPNAIGGA-UHFFFAOYSA-N
-rxn:4:173911:223866,COC(=O)Cc1ccc(C(=O)OC)cc1-c1ccccc1CN1C(C)(C)CCCC1(C)C,VLLWZXIVGARQMX-UHFFFAOYSA-N
-rxn:4:174302:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(C)(C)C(=O)OCC)c(OC)c3)c(F)c2)CC1,JEHOPLQZMZKUBT-MXVIHJGJSA-N
-rxn:4:174406:222636,COC(=O)C1(c2ccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2)CC(OC)(OC)C1,ADKUKUIDVJTTEY-GOSISDBHSA-N
-rxn:4:174406:224663,COC(=O)C1(c2ccc(-c3ccc(CN4CCN(C)CC4)c(F)c3)cc2)CC(OC)(OC)C1,NZSIGIFAFTVTRW-UHFFFAOYSA-N
-rxn:4:174406:225215,COC(=O)C1(c2ccc(-c3ccnc(N4CCC(C)CC4)c3Cl)cc2)CC(OC)(OC)C1,UAGULGZMBXZSJR-UHFFFAOYSA-N
-rxn:4:174407:224891,COC(=O)C1(c2cccc(-c3cc(N4CCCC4)ccc3C3CC3)c2)CC(OC)(OC)C1,KIPVRWRLFNOKTC-UHFFFAOYSA-N
-rxn:4:174490:225174,CC1(C)COC(CCCC(=O)c2cccc(-c3ccc(F)cc3CN3CCOCC3)c2)OC1,MIRKFJTZSNRGAG-UHFFFAOYSA-N
-rxn:4:174605:225901,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cn(C(=O)OC(C)(C)C)nc3C)c1)C2=O,CLEIPEPCHMIDBG-UHFFFAOYSA-N
-rxn:4:174624:225447,COc1ccc(-c2ccc(OC3CCCCC3)cc2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,HJHVZZBIJNSNLK-UHFFFAOYSA-N
-rxn:4:175314:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)c(OCC4CC4)c3)cc2)CC1,SGWPIKRYYAUTLW-UHFFFAOYSA-N
-rxn:4:175363:222612,CC(C)OCc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1C(F)(F)F,PMTGDLQCRJTZSQ-UHFFFAOYSA-N
-rxn:4:175704:222538,COC(=O)CC1CC(c2cccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)C1,QZTAUXGFTRFFMC-UHFFFAOYSA-N
-rxn:4:176018:222675,COc1cc(-c2cc(OC)c(OCC3CCCCC3)cc2F)ccc1NC(=O)OC(C)(C)C,AGBDYKMSBUWSIM-UHFFFAOYSA-N
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-rxn:4:176102:224364,Cc1cc(OCCC2OCCCO2)cc(C)c1-c1cc(OCC(C)C)cc(OC(F)(F)F)c1,RNDDAALOMFEQNC-UHFFFAOYSA-N
-rxn:4:176207:222628,COC(=O)CC[C@H]1CCc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)ccc2O1,ULZNBPXIQNFYFP-JFGZAKSSSA-N
-rxn:4:176294:223891,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)c1)C2=O,CEHOPBCNHICFAL-UHFFFAOYSA-N
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-rxn:4:176796:223559,COc1ccc(OC(C)=O)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,JPKIJHMOWHLGRV-UHFFFAOYSA-N
-rxn:4:177323:223559,COC(=O)C1(c2cccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)CC1,ULAQGOFUPIGERC-UHFFFAOYSA-N
-rxn:4:177749:223813,COc1cc(OC2CCC2)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1F,NEQXRQOHRCEWAP-UHFFFAOYSA-N
-rxn:4:177835:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4(C(=O)OC)CCC4)cc3)c(F)c2)CC1,BRVWRSIPKUFALP-UHFFFAOYSA-N
-rxn:4:178154:222857,COc1cc(-c2c(F)c(F)c(COC3CCCCO3)c(F)c2F)cc(C2CCNCC2)c1,OMQPWPYZJXSLMM-UHFFFAOYSA-N
-rxn:4:178248:222538,COC(=O)C1(c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)CCOCC1,KLIGEHDIULDLIR-UHFFFAOYSA-N
-rxn:4:178255:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)CC2CCOCC2)cc1,CJARTSSNKWIAQD-UHFFFAOYSA-N
-rxn:4:178327:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(=O)OC)CCCCC4)cc3)c(F)c2)CC1,UICRPJAJMGLYLH-RQNOJGIXSA-N
-rxn:4:178329:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(S(=O)(=O)CC3CCCCC3)c2)CC1,IDPNANJTMQTSRW-UHFFFAOYSA-N
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-rxn:4:178384:226540,CCOC(=O)c1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,NWGQQDZLJBYCKT-UHFFFAOYSA-N
-rxn:4:178384:227075,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1,OKODTGMGAVTEQJ-UHFFFAOYSA-N
-rxn:4:178384:227969,Cc1nccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1C1CC1,QSONNBNBKRFKLX-UHFFFAOYSA-N
-rxn:4:178384:228817,Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(=O)n1C,RVEUMABZOWBINV-UHFFFAOYSA-N
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-rxn:4:187659:223182,CCNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,KYXKCCAVNVJHPA-UHFFFAOYSA-N
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-rxn:4:187693:222585,O=C(c1ccc(-c2ccccc2C(=O)NCCN2CCOCC2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,UFHNTMQKWPUFEU-UHFFFAOYSA-N
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-rxn:4:190120:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCCC3)cc2)CC1,UKSWOUUHUBQFAF-UHFFFAOYSA-N
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-rxn:4:190376:222398,COc1ccc(-c2ccc(NC(=O)NC3CC3)c(C)c2)cc1S(=O)(=O)N1CCCCCC1,AFTFTANHJQGTKG-UHFFFAOYSA-N
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-rxn:4:190869:222933,CC(C)(C)OC(=O)Nc1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)cn1,GLSGEDAEXJTHSL-UHFFFAOYSA-N
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-rxn:4:191006:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2C3CCC2CC(OC)C3)cc1,SFJDLNCWKSCBQA-UHFFFAOYSA-N
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-rxn:4:191041:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)c3ccccc23)CC1,JSRJWFKNUYAWED-UHFFFAOYSA-N
-rxn:4:191058:222998,COC(=O)C1CCN(C2CCc3cc(-c4cc(F)cc(C5CCCNC5)c4)ccc32)CC1,MFHOAWTZXCIRFC-UHFFFAOYSA-N
-rxn:4:191058:224421,COC(=O)C1CCN(C2CCc3cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)ccc32)CC1,GVJFTGPQMQEYGU-UHFFFAOYSA-N
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-rxn:4:191058:225980,COC(=O)C1CCN(C2CCc3cc(-c4cc(N5CCOCC5)ncc4F)ccc32)CC1,MCJYWSOKMSWXBM-UHFFFAOYSA-N
-rxn:4:191062:223010,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2(O)CCOCC2)cc1,ILEAYQTWOPLQQW-UHFFFAOYSA-N
-rxn:4:191062:223135,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccnc1C1CCCNC1,MNORCIQLMKVTHG-UHFFFAOYSA-N
-rxn:4:191062:225447,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCCCC2)cc1,FHVJIGJPZSIKAE-UHFFFAOYSA-N
-rxn:4:191062:225449,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(OC2CCCCC2)c1,CUUVVNJVGDMBDE-UHFFFAOYSA-N
-rxn:4:191091:226330,CC(c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)s1)N1CCCC1,GXRPUFIOBMNDCR-UHFFFAOYSA-N
-rxn:4:191103:225564,COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,JFMKMPYNZDFDPM-UHFFFAOYSA-N
-rxn:4:191103:227557,COc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1Cl,BPOINXFKGXSVGR-UHFFFAOYSA-N
-rxn:4:191105:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,OWTWSNMSJUWMHR-UHFFFAOYSA-N
-rxn:4:191109:224676,COc1ccc(-c2ccccc2C(=O)N2CCN(C)CC2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,LVJBJUKNBXCWAF-UHFFFAOYSA-N
-rxn:4:191118:228242,COc1cc(F)c(C)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,MHOOZDWGOYUMBL-UHFFFAOYSA-N
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-rxn:4:191124:227011,CC(C)OCc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,FOYCSXKNJQWOPM-UHFFFAOYSA-N
-rxn:4:191124:227591,COc1cc(C(F)F)ccc1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,PRQDTDAJHFVGFQ-UHFFFAOYSA-N
-rxn:4:191125:227324,CC(C)Cc1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,LNHHWUXBCPPTCZ-UHFFFAOYSA-N
-rxn:4:191125:227353,COc1cc(C)c(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1,NILPVEDZEFVEJE-UHFFFAOYSA-N
-rxn:4:191125:227593,COc1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c(OC)cc1Cl,WIFYGHOITPFYGU-UHFFFAOYSA-N
-rxn:4:191127:224185,COc1ccc(COc2cncc(-c3ccc4c(c3)OC3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)c2)cc1,KLDWUEMAGIPQGX-UHFFFAOYSA-N
-rxn:4:191171:222740,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cc(C(C)C)nc(C5CCCNC5)c4)cc1c32,KNPRAQRXRRTAKR-UHFFFAOYSA-N
-rxn:4:191171:225947,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cnc(N5CCN(C)CC5)nc4)cc1c32,MRUWVYAEMIRBJE-UHFFFAOYSA-N
-rxn:4:191171:226149,COc1ccc(-c2ccccc2C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1C(C)(C)C,SEWGCJMDLDCZEO-UHFFFAOYSA-N
-rxn:4:191172:223167,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccnc(N6CCNCC6)c5)cc4)cc1c32,HDIBMHRBZRYCLO-UHFFFAOYSA-N
-rxn:4:191172:226546,COC(=O)c1cccc(-c2ccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)cc2)c1OC,SDFWHGITWVFACM-UHFFFAOYSA-N
-rxn:4:191173:223167,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5ccnc(N6CCNCC6)c5)c4)cc1c32,CZUUDSVXEPMNEP-UHFFFAOYSA-N
-rxn:4:191173:223168,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cccnc5N5CCNCC5)c4)cc1c32,LVXSJHCOTAEHGP-UHFFFAOYSA-N
-rxn:4:191195:225096,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(OCCn3ccnc3)cc1)c1c2CCC1,YXTTWDNROURAJN-UHFFFAOYSA-N
-rxn:4:191993:223520,CC(c1ccc(-c2cccc(C(=O)C3CC3)n2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,IGLUSFXBQDFVPH-UHFFFAOYSA-N
-rxn:4:193131:222743,CC(c1ccc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc1)N1CCC(O)CC1,XNEKLANSGQFJQV-UHFFFAOYSA-N
-rxn:4:193249:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCSCC4)c(F)c3)cc2F)CC1,ZNEFEUGQAAMHKV-UHFFFAOYSA-N
-rxn:4:193386:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,WSCUWBNNIRXDPE-UHFFFAOYSA-N
-rxn:4:193456:223812,COc1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cnc1C1CCOCC1,HJKGTEDOQZXJGC-UHFFFAOYSA-N
-rxn:4:193457:222466,COc1ncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1C1CCCCO1,YTJSDTIGEHNKAE-UHFFFAOYSA-N
-rxn:4:193518:225223,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cnc(N3CCC(C)CC3)cc2F)cc1,MHGYBYZELRZIDI-UHFFFAOYSA-N
-rxn:4:193518:225226,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(N3CCC(C)CC3)ncc2F)cc1,CWNMAWLRFOYFSE-UHFFFAOYSA-N
-rxn:4:193518:225313,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C)CC3)nc2F)cc1,DIMUGPAYNAMNFZ-UHFFFAOYSA-N
-rxn:4:193563:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC2)c1,MNCZYVVZHPAFRD-UHFFFAOYSA-N
-rxn:4:193627:222740,CC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc(C2CCCNC2)n1,QIQWJLQONKUTIF-UHFFFAOYSA-N
-rxn:4:193632:224754,O=S(=O)(c1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)cc1)N1CCC(F)(F)CC1,ZTAOOHQWHXLLCZ-UHFFFAOYSA-N
-rxn:4:193687:222718,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,VLXMXFMRYXERKA-UHFFFAOYSA-N
-rxn:4:193763:223500,CC1CCCN(C(=O)c2cccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2F)C1,QVFUHDJUETXJTI-UHFFFAOYSA-N
-rxn:4:193775:224655,CC(C)(C)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2F)ccc1N1C(=O)C=CC1=O,PXJKVGRPERJVBU-UHFFFAOYSA-N
-rxn:4:193837:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1S(=O)(=O)NC1CCCC1,PEVJSIVSTJRZFU-UHFFFAOYSA-N
-rxn:4:193864:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCCCC4=O)c3)c3ccccc23)CC1,ZZAMRHZYKPKDJL-UHFFFAOYSA-N
-rxn:4:193930:222718,Cc1ccc(C(C)N2CCC(=O)CC2)cc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,NCCWXPXEFJBHAA-UHFFFAOYSA-N
-rxn:4:194000:222774,Cc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1-c1ccc(F)c(CN2CCC(O)CC2)c1,LCRLVJHBJCAJET-UHFFFAOYSA-N
-rxn:4:194000:222826,Cc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,KXUFVYLKOVWVEB-UHFFFAOYSA-N
-rxn:4:194407:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CC5CC4CS5(=O)=O)o3)c3ccccc23)CC1,WHZGMNDOEGMDBQ-UHFFFAOYSA-N
-rxn:4:194424:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc2c(c1)CN(S(=O)(=O)C1CC1)C2,KEMKPIDKMGIMIR-UHFFFAOYSA-N
-rxn:4:194572:222742,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cc(C2CCNCC2)nc(C2CC2)c1,YZXDQXZRPIKSOV-UHFFFAOYSA-N
-rxn:4:194585:223928,CC(=O)N1c2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2CC1C(C)C,CRZFDFNGUXQWMW-UHFFFAOYSA-N
-rxn:4:194593:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cc(CN3CCC(F)(F)C3)cc3c2OCC3)c1,ABVXGFOIWMDCQU-UHFFFAOYSA-N
-rxn:4:194696:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)cc1,PQDLXWRZZNTOOF-FNPLBGOPSA-N
-rxn:4:194715:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cccc2c1CCC2N1CCC(C(F)(F)F)CC1,BBAKYSGBSGJWPE-UHFFFAOYSA-N
-rxn:4:194736:222607,CC1CCCN(S(=O)(=O)c2cc3cc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)ccc3oc2=O)C1,SOBGRJCZBNGHBJ-UHFFFAOYSA-N
-rxn:4:194737:224705,CC1CCN(c2ccc(-c3ccc4oc(=O)c(S(=O)(=O)N5CCCCCC5)cc4c3)c(F)c2F)CC1,JMPNOQDOCLCEJU-UHFFFAOYSA-N
-rxn:4:194768:225008,COC1CCN(c2ccc(-c3ccc4c(c3)CCCC4N3CCC(OC)CC3)cc2)CC1,YOKCWLRFMDBTIV-UHFFFAOYSA-N
-rxn:4:194785:225685,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(C5CCCCC5)c4)cc3)CC2)Oc2ccccc21,VGPKITALSIGIMF-UHFFFAOYSA-N
-rxn:4:197054:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,RCLLQHABJHSNOW-UHFFFAOYSA-N
-rxn:4:197927:224280,CC(C)N1C(=O)C(C)(C)c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc21,IDHWRKOSZSVNFI-UHFFFAOYSA-N
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-rxn:4:202599:224746,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4ccc(N5CCN(C(C)=O)CC5)nc4)c3)N2C1=O,LHZVTPDEHYSQOD-UHFFFAOYSA-N
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-rxn:4:202657:225125,CCOC(=O)c1cnc2c(-c3cc(F)ccc3OCC3CCOC3)cccc2c1N1CCC(C)CC1,PFAQNGBPPWFWKO-UHFFFAOYSA-N
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-rxn:4:203731:222442,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)o1)N1CC(N2CCCC2)C1,YJCNKVOTBCUBLJ-UHFFFAOYSA-N
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-rxn:4:203866:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)ccc3CN3CCN(CC)CC3)c(F)c2)CC1,KWDSWRPFVIFAGB-HZCBDIJESA-N
-rxn:4:203887:222693,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1,HOQQYIMJVDRVSP-UHFFFAOYSA-N
-rxn:4:203961:224575,CCc1cc(-c2ccc(N3CCC(C)CC3)cc2C#N)ccc1C(=O)N1CCN(C)CC1,ZWVHHJYLOHUSBT-UHFFFAOYSA-N
-rxn:4:203963:222632,CCN1CCN(C(=O)c2ccc(C)c(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)CC1,XDXBBXBEVJHEBP-UHFFFAOYSA-N
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-rxn:4:203985:224572,CC1CCCN(c2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)COC4=O)CC3)c(C#N)c2)C1,UXBQAAFBRWNYAY-UHFFFAOYSA-N
-rxn:4:204026:225202,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2cc(C3CCC3)cc(C(F)(F)F)c2)CC1,TYXMINIQVCUYAQ-UHFFFAOYSA-N
-rxn:4:204047:224244,CC1CCN(C(=O)c2cc(-c3ccc(C4=NC(C)(C)N(C(=O)c5ccccc5)C4=S)cc3)ccc2Cl)CC1,DFWLSTGBICGSMI-UHFFFAOYSA-N
-rxn:4:204054:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CCCN(C3CCOC3)CC2)o1,LPKHIPUOZQNXBG-UHFFFAOYSA-N
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-rxn:4:204114:225182,O=C(c1ccc(-c2ccnc(OC3CCCCC3)c2Cl)o1)N1CCCN(C2CCSCC2)CC1,LCDIQEMLIROPPN-UHFFFAOYSA-N
-rxn:4:204115:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,GHFZLDQXILZUNW-UHFFFAOYSA-N
-rxn:4:204135:223295,CS(=O)(=O)Nc1cncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,MUDIQBXWXJHPIV-UHFFFAOYSA-N
-rxn:4:204157:224686,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)CC1,VCAUQZBPUIEXIY-UHFFFAOYSA-N
-rxn:4:204157:224689,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cc2)CC1,OKUIVLTWMQINRQ-UHFFFAOYSA-N
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-rxn:4:204158:225220,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCCC5C)c(Cl)c4)cc3Cl)CC2)cc1,BYSQSNAVKNGABS-UHFFFAOYSA-N
-rxn:4:204158:225227,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCC(C)CC5)c(Cl)c4)cc3Cl)CC2)cc1,JJFLYYPWEURIKB-UHFFFAOYSA-N
-rxn:4:204158:225367,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCC(F)(F)CC5)nc4)cc3Cl)CC2)cc1,QECMITIIOAJKKF-UHFFFAOYSA-N
-rxn:4:204159:225294,CCN1CCN(c2ncc(-c3cc(C)c(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)cc3C)cn2)CC1,UZKJJGMUNRPJAJ-UHFFFAOYSA-N
-rxn:4:204160:225294,CCN1CCN(c2ncc(-c3cc(C)c(C)cc3S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1,VPDXCBPCATYNSK-UHFFFAOYSA-N
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-rxn:4:204172:224960,COc1ccc(-c2ccc(CN3CCC(C)CC3)c(N3CCCCC3)c2)cc1OC1CCCC1,DSMPCSIKSYYOPV-UHFFFAOYSA-N
-rxn:4:204174:225830,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cnc(N5CCCCC5)nc4C)cc3C)CC2)cc1Cl,ROCAJEGTNFLODN-UHFFFAOYSA-N
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-rxn:4:204693:226425,CC1CCCCN1c1ccc(-c2cccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c2)s1,PLGJPFVDIDXSGE-UHFFFAOYSA-N
-rxn:4:204695:227568,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2c(F)cc(OC)cc2OC)c1,CWOUGIVPTGDBBJ-UHFFFAOYSA-N
-rxn:4:204697:228082,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccnn2CCC(C)C)cc1,GBEPXSBXIIPGGL-UHFFFAOYSA-N
-rxn:4:204764:224432,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cccc(OCCc4ccccc4)c3)cc2)C1,VVNLIDKYXARLMA-UHFFFAOYSA-N
-rxn:4:204764:229013,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3sccc3C3CC3)cc2)C1,ROBALNVHYFJKEM-UHFFFAOYSA-N
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-rxn:4:204868:222826,CC1CCN(C(=O)C2=CN(c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,UTKVWVRGPJANIV-UHFFFAOYSA-N
-rxn:4:204949:223568,COc1ccc(C2=NN3C(C2)c2ccccc2OC3(C)c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)cc1,GQCMYBLRLJINJP-UHFFFAOYSA-N
-rxn:4:205885:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ncc(C(=O)N4CCOCC4)s3)ccn2)CC1,DNGDOYNROFHLIY-UHFFFAOYSA-N
-rxn:4:205958:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(N4CC(F)(F)C4)ccc3[N+](=O)[O-])c2F)C1,RQWJMRGESSNIHM-UHFFFAOYSA-N
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-rxn:4:206195:223660,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cnc1C(=O)N1CCC1,SVIMQPIASXWVFG-UHFFFAOYSA-N
-rxn:4:206201:223810,Cc1cc(-c2cnc(Cl)cc2C(=O)N2CCCC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,QOGMVCVVDWZUPN-UHFFFAOYSA-N
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-rxn:4:206611:224011,CN1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCCCC4)ccc3F)cc2F)CC1,JYMMTEOQRKUEPY-UHFFFAOYSA-N
-rxn:4:206615:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cc(Cl)cnc3C(=O)N3CCCCC3)c2)C1,QILNEXSDFLWRBS-UHFFFAOYSA-N
-rxn:4:206621:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)c2)CC1,JHSUMDTVWCVAIT-UHFFFAOYSA-N
-rxn:4:206653:224252,CC1CCCN(C(=O)c2ccc(-c3cnc(C(=O)N4CCC(F)(F)CC4)c(F)c3)cc2F)C1,FGCFWJORFBLQLX-UHFFFAOYSA-N
-rxn:4:206695:224485,Cc1nc(C2CCCN2S(C)(=O)=O)sc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,AKNFWKXRFJHGNV-UHFFFAOYSA-N
-rxn:4:206955:222694,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2)CC1,YEDCCUXJZYOLNQ-UHFFFAOYSA-N
-rxn:4:206963:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2N2CCN(S(C)(=O)=O)CC2)CC1,UCFMQKVLBXOPGC-UHFFFAOYSA-N
-rxn:4:206999:223712,COc1ccc(-c2cnc(OC3CCN(C)CC3)c(C)c2)cc1C12CC3CC(CC(C3)C1)C2,VTOIVLXNCQJFIS-UHFFFAOYSA-N
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-rxn:4:207080:222862,CCCCNC(=O)c1ccc(-c2cncc(C(=O)N3CCC4(CC3)OCCCO4)c2)cc1F,XWDOHDPTAAWJAV-UHFFFAOYSA-N
-rxn:4:207081:225363,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(C(=O)N4CC(F)(F)C4)nc3)c1)C2,ZPOYWQMVPSJICR-UHFFFAOYSA-N
-rxn:4:207736:223831,COc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCC(C)CC1,JKQLMYDJLOCIGI-UHFFFAOYSA-N
-rxn:4:207736:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,UBNVVXMFMLCPKF-UHFFFAOYSA-N
-rxn:4:207736:223840,COc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCN(C)CC1,HKKNZXDYVCMDIK-UHFFFAOYSA-N
-rxn:4:207743:222607,CN1CCN(C(=O)c2cc3ccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cc3s2)CC1,YJHCPXWKCMMRMV-UHFFFAOYSA-N
-rxn:4:207779:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,AQMOYQJHKLDHON-UHFFFAOYSA-N
-rxn:4:207890:222855,COc1cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cc(C2CCCNC2)c1,CVHHBHOQCFEMDP-UHFFFAOYSA-N
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-rxn:4:211060:224425,CCCC1CCC(c2ccccc2-c2ccc3c(c2)CCCC3N2CCN(C)CC2)CC1,YRUDJHBSILPJBR-UHFFFAOYSA-N
-rxn:4:211061:225692,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cncc(-c4cccc(Cl)c4)c3)ccc21,VSOZSWXBJDAFLB-UHFFFAOYSA-N
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-rxn:4:212581:225332,CCOc1ccc(OC(F)(F)F)cc1-c1ccc(CSC2=NCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,ILRWLULHBHVJTB-UHFFFAOYSA-N
-rxn:4:212599:223812,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,PASVTWDSAUFIRC-UHFFFAOYSA-N
-rxn:4:212614:223045,COC(=O)c1cn(Cc2cccc(-c3cc(C(=O)NC(C)C)ccc3F)c2)nc1S(=O)(=O)N1CCCC1,UCFBZNDDGZCSHU-UHFFFAOYSA-N
-rxn:4:212615:223770,CC(C)(C)OC(=O)n1c(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc2c(C#N)cccc21,VCKIVXWQTIGXCA-UHFFFAOYSA-N
-rxn:4:212626:225633,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCCC5)nc4)cc3)CC2)c1,OZTYLMWMZNASPZ-UHFFFAOYSA-N
-rxn:4:212626:225828,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)c1,ANACWZNGEAJODD-UHFFFAOYSA-N
-rxn:4:212630:225640,CC1CCCCN1c1cc(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)ccn1,RTLYZUCRAJSMFT-UHFFFAOYSA-N
-rxn:4:212631:224885,CC1CCN(Cc2ccccc2-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)CC1,ITOQGTUASTZZDU-UHFFFAOYSA-N
-rxn:4:212639:222883,CC(C)(C)NC(=O)c1ccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,ANJUCQPNRKUCCT-UHFFFAOYSA-N
-rxn:4:212642:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)o1)N1CCC(COc2ccc(C3CC3)nn2)CC1,LVUSVXKGUFWPDA-UHFFFAOYSA-N
-rxn:4:212649:224393,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)C1,YOJYUMOZCVVSGO-UHFFFAOYSA-N
-rxn:4:212650:225877,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,JDUQEZIUJVFFMM-UHFFFAOYSA-N
-rxn:4:212653:227986,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(Cl)c(C3CC3)c2)n1,ISPZHRBVGCJNNH-UHFFFAOYSA-N
-rxn:4:212655:224537,COC(=O)c1cc(-c2ccc(OCc3ccccc3F)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,OYWRGJFAOKTGDQ-UHFFFAOYSA-N
-rxn:4:212711:222930,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)o3)CC2)nn1,MBNYUAOLUBGFIS-UHFFFAOYSA-N
-rxn:4:212711:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)o3)c(F)c2)CC1,YPORDVNOQTYEBP-UHFFFAOYSA-N
-rxn:4:212741:224885,CC1CCN(Cc2ccccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCC3)c2)CC1,KNQBSUVZBQNKQG-UHFFFAOYSA-N
-rxn:4:212799:225947,CN(C)CCN(C(=O)C1CCCCC1)c1nc2ccc(-c3cnc(N4CCN(C)CC4)nc3)cc2s1,QJMSFGRTQNELOI-UHFFFAOYSA-N
-rxn:4:212828:227239,COC(=O)Cc1ccc(-c2ccc(OC)cc2C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)cc1,NUFOMBABCOBCIT-UHFFFAOYSA-N
-rxn:4:212860:223594,CN(C)CCCOc1cnc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,RCPFNNVDOBXVQN-UHFFFAOYSA-N
-rxn:4:212892:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N(C(=O)OC(C)(C)C)C3CC3)nc2)cc1,QFWNFZIWKHPTAW-UHFFFAOYSA-N
-rxn:4:212917:222839,COC(=O)CN1CCC(Cn2cc(-c3ccc(NCC4CCCCC4)nc3)cn2)CC1,AAVIDRHPNGTPQI-UHFFFAOYSA-N
-rxn:4:213007:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)c5ccc(OC)c(F)c5)C4)nc3)cc2F)CC1,DTCVMMXMODZVMZ-UHFFFAOYSA-N
-rxn:4:213038:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)c[nH]2)CC1,UKGDDUHNQCBIHP-UHFFFAOYSA-N
-rxn:4:213044:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,HCQYWRBUQSRUQT-UHFFFAOYSA-N
-rxn:4:213051:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)o3)c3ccccc23)CC1,WSORHBPJULUNAX-UHFFFAOYSA-N
-rxn:4:213053:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,BARHGLXZEYTEJF-UHFFFAOYSA-N
-rxn:4:213054:224180,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4ccccc4OCCN4CCN(C)CC4)c3)C2)nn1,YMCGJVUZTWWGIJ-UHFFFAOYSA-N
-rxn:4:213060:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(Cc5nc(-c6ccco6)cs5)CC4)o3)ccc2C)CC1,HHTINAMKYMARBM-UHFFFAOYSA-N
-rxn:4:213070:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,YZMSSYSAHKLGSA-UHFFFAOYSA-N
-rxn:4:213080:227458,CN1CCOc2cc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc21,CKUXITOMARTQON-UHFFFAOYSA-N
-rxn:4:213132:225975,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,PQJORWNISCYJAZ-UHFFFAOYSA-N
-rxn:4:213134:223945,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,BBJZWJBSLMHOCW-UHFFFAOYSA-N
-rxn:4:213135:224286,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cn2)CC1,NVXFCEQHYRRUBZ-UHFFFAOYSA-N
-rxn:4:213136:225165,COc1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)ccc1N1CCOCC1,HBDGFVQNSMKUQC-UHFFFAOYSA-N
-rxn:4:213179:224755,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4cc(C(=O)N5CCOCC5)ccc4F)c3)CC2)nn1,PQTBIXKLLBCORP-UHFFFAOYSA-N
-rxn:4:213192:228236,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(F)c3C3CC3)n2)CC1,VAQQABJZJXLJBE-UHFFFAOYSA-N
-rxn:4:213247:223951,CN1CCN(CCOc2ccc(-c3cnn(CC4CN(C(=O)C5(c6ccccc6)CCOCC5)C4)c3)cc2F)CC1,SAWGIXHMQNTGJP-UHFFFAOYSA-N
-rxn:4:213253:225076,COC(=O)c1ccc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c2cccnc12,BXNQNZKNCFPQBK-UHFFFAOYSA-N
-rxn:4:213268:225312,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cnc(N5CCCN(C)CC5)nc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,NPUZGFOHIMEMRX-CPJSRVTESA-N
-rxn:4:213269:226495,CCN(CC)c1cc(-c2ccc(OC)cc2C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c(F)cn1,AMXVLLJKHYAGBE-UHFFFAOYSA-N
-rxn:4:213272:225052,CC1CCCCN1c1cc(F)cc(-c2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)nc2)c1,KGRNLUNELHZKDI-UHFFFAOYSA-N
-rxn:4:213272:225977,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,XMUCOHUXVISZRT-UHFFFAOYSA-N
-rxn:4:213290:223583,COC(=O)c1ccc2c(-c3cnc(OC4CCCN(C(=O)C5(c6ccccc6)CCOCC5)C4)nc3)cn(C(=O)OC(C)(C)C)c2c1,RKOFKIJRLCFUJH-UHFFFAOYSA-N
-rxn:4:213382:224064,CCN1CCN(c2nc3ccc(OC(=O)c4ccccc4-c4cc(C5CC5)cc(N5CCCCC5C)c4)cc3s2)CC1,TXSMGRHPTXEZNI-UHFFFAOYSA-N
-rxn:4:213384:224645,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4ccc(C(=O)N5CCCC5)cc4OC)CC3)[nH]c2c1,SNKCKOAOGMIDKU-UHFFFAOYSA-N
-rxn:4:213392:225275,COCCOc1c(F)c(C)cc(-c2cnc(OCC3CCCN(Cc4ccc5c(c4)OCCO5)C3)nc2)c1F,LGFOPIGRUNVWHT-UHFFFAOYSA-N
-rxn:4:213407:223055,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(N6CCNCC6)nc5C)cc4s3)CC2)cc1,DUBFMVPXMZWSBP-UHFFFAOYSA-N
-rxn:4:213407:225827,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccnc(N6CCN(C)CC6)c5)cc4s3)CC2)cc1,LUFXXLBDINHNGI-UHFFFAOYSA-N
-rxn:4:213415:222747,O=C(NCC1CCCO1)c1ccc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)cc1,SIHUJXJGTRAEFK-UHFFFAOYSA-N
-rxn:4:213439:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc4c3ccn4CC(=O)N3CCN(C(=O)C4COc5ccccc5O4)CC3)c2)C1,QTRJVCVPPMEPFX-UHFFFAOYSA-N
-rxn:4:213450:222904,Cc1nc2ccc(-c3ccc(NC(=O)OC(C)(C)C)nc3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,GVTANNCTFDYKGO-UHFFFAOYSA-N
-rxn:4:213480:222889,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(CN5CCNCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GBHMXMLLXFDXDI-IYYFJEEQSA-N
-rxn:4:213480:223128,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CNC5CC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QMWLNGDYJULKAK-YYFHDEPCSA-N
-rxn:4:213480:224254,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OTEMXMQBLXPBKL-ANLKPUEHSA-N
-rxn:4:213480:224679,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,BXCLCFFZUVNXFM-NXEFQXHYSA-N
-rxn:4:213480:226584,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N(C)C)cc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GMCFTHZFHNBGCT-FGWXRDQWSA-N
-rxn:4:213604:224325,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,VATCIBFXALXTJR-UHFFFAOYSA-N
-rxn:4:213628:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccn(C3CN(C(=O)OC(C)(C)C)C3)n2)c1,MIDGMPPQINCVCA-UHFFFAOYSA-N
-rxn:4:213653:224406,O=C(c1cncc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1)N1CC(CN2C(=O)COC2=O)C1,MSBCYEQCODHSET-UHFFFAOYSA-N
-rxn:4:213714:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1,IPHYFAFZIPMQOJ-SFHVURJKSA-N
-rxn:4:213761:222580,O=C(C1CC=CCC1)N1CC(Cn2cc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)cn2)C1,CTURFWGBHMHZMX-UHFFFAOYSA-N
-rxn:4:213767:222887,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)N4CCNCC4)c3)o2)CC1,PKOBVWCRRJVPQG-UHFFFAOYSA-N
-rxn:4:213794:222855,COc1cc(-c2cnn(CC3CN(CC4CCCCO4)C3)c2)cc(C2CCCNC2)c1,KCRRTXZSFJBUGN-UHFFFAOYSA-N
-rxn:4:213794:224596,COc1cc(N2CCCCC2C)ccc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,IRPKBGMGPBJQGG-UHFFFAOYSA-N
-rxn:4:213794:224664,CN1CCN(Cc2cc(F)cc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)c2)CC1,AZSRFONFJRRMTN-UHFFFAOYSA-N
-rxn:4:213802:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,ZYQDAKIYPVWNLN-UHFFFAOYSA-N
-rxn:4:213809:223959,CCN1CCN(C(=O)c2cc(-c3ccccc3C(=O)N3CCC(Oc4cnccn4)CC3)ccc2Cl)CC1,XBFSHYRDCSEAIK-UHFFFAOYSA-N
-rxn:4:213832:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,WETNUPFVBLBTFK-UHFFFAOYSA-N
-rxn:4:213837:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccn(C2CCCN(C(=O)OC(C)(C)C)C2)n1,XKULOLRRJHLWIT-UHFFFAOYSA-N
-rxn:4:213838:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)c1,DIIWCJRACWNASN-UHFFFAOYSA-N
-rxn:4:213841:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OC2CCN(CC3CCC3)CC2)nc1,SOZQYYYESRCVDZ-UHFFFAOYSA-N
-rxn:4:213863:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)c2)C1,MBVLUCJCWZMBSN-UHFFFAOYSA-N
-rxn:4:213863:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)cc2)CC1,ZPYSMKNMURCWCC-UHFFFAOYSA-N
-rxn:4:213892:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,SDMDKBSYSXUCSK-UHFFFAOYSA-N
-rxn:4:213895:222584,CC(C)(C)OC(=O)N1CCCCC1c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,ZCWSTNYRWYSDTD-UHFFFAOYSA-N
-rxn:4:213906:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(S(=O)(=O)N4CCC(Cn5cccn5)CC4)cc3)c2)C1,METUXUNCTQPEMG-UHFFFAOYSA-N
-rxn:4:213910:223162,CNC(=O)c1ccc(OC)c(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,OOCAHPSTKVCNON-UHFFFAOYSA-N
-rxn:4:213910:223177,CS(=O)(=O)NCc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,RSONRPJUXZHPTQ-UHFFFAOYSA-N
-rxn:4:213943:223724,CCCC(C)Oc1ccc(-c2ccc(-c3cn[nH]c3C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,UQJFKYBEZCOHLJ-UHFFFAOYSA-N
-rxn:4:213944:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)c1,MPPOGBCWOWMNPA-UHFFFAOYSA-N
-rxn:4:213946:223187,CONS(=O)(=O)c1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,NWUFCASCBKVHRB-UHFFFAOYSA-N
-rxn:4:213950:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(OC3CCN(S(=O)(=O)C4CCCCC4)C3)nc2)cc1,KJMAZTOSYIBNQZ-UHFFFAOYSA-N
-rxn:4:213959:223777,Cc1ccc(CN2CCC(Oc3ncc(-c4ccc5c(c4F)CCN(C(=O)OC(C)(C)C)C5)cn3)CC2)cc1,ORRAIPYGIKPRGJ-UHFFFAOYSA-N
-rxn:4:213972:228099,CCN(C)c1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,NXGOTNMQMLIEEF-UHFFFAOYSA-N
-rxn:4:213972:228694,CCN(C)c1csc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,HWSXAGKTNCVORY-UHFFFAOYSA-N
-rxn:4:213982:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)cc1,MKGJBBBVSOJXMR-UHFFFAOYSA-N
-rxn:4:214012:222988,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)n1,ATGFCOPAVSHXRP-UHFFFAOYSA-N
-rxn:4:214028:224163,Cc1c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc2c1cnn2C1CCCCO1,XNPNEDGUCPLTLZ-UHFFFAOYSA-N
-rxn:4:214029:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C(F)(F)F)c3)c2Cl)CC1,OBRQPEGYKPTNOF-UHFFFAOYSA-N
-rxn:4:214033:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1F,QTYMOMQCOLRLQV-DHIUTWEWSA-N
-rxn:4:214033:227836,Cc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(C2CC2)c1,FSHRZDLKKDDVIR-JWQCQUIFSA-N
-rxn:4:214050:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cnc(N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(F)c1,LDARFVQZIWZPKG-MSOLQXFVSA-N
-rxn:4:214051:225454,CC(C)c1sc(-c2ccc(C3=CCN(C)CC3)cc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,OHKHYXXHWGSHAC-UHFFFAOYSA-N
-rxn:4:214064:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(CN2CCN(S(C)(=O)=O)CC2)c(N2CCOCC2)c1,UAXPXTFJADBZOU-UHFFFAOYSA-N
-rxn:4:214079:227332,CC(C)Oc1ccc(Cl)cc1-c1ccc(CN2CCN(C(C)C)CC2)c(N2CCCC2)c1,UYEKIPCPHMQLSJ-UHFFFAOYSA-N
-rxn:4:214086:228863,COCCn1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)cn1,OOZXSKDMKYBGEK-UHFFFAOYSA-N
-rxn:4:214153:224665,CN1CCN(Cc2cc(F)ccc2-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)CC1,RWPZOEMFVQNQMC-LJQANCHMSA-N
-rxn:4:214162:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc4[nH]c(C(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)cn2)CC1,KGABKOHJQBMRHG-UHFFFAOYSA-N
-rxn:4:214180:223867,CC1CCN(CCCOc2cccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)c2)CC1,COFZVXLGMCDXBG-UHFFFAOYSA-N
-rxn:4:214254:222635,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cnc21,KMLNENGBKCBLNY-NRFANRHFSA-N
-rxn:4:214276:224718,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(OCCN5CCOCC5)nc4)cnc3[nH]2)CC1,GCLSBVLKUVSUSR-UHFFFAOYSA-N
-rxn:4:214293:224936,Cc1cccc(C)c1-n1nc2c(c1-c1ccc(CC(=O)OC(C)(C)C)cc1)CN(C(=O)OC(C)(C)C)C2,MYXOFZDHJOPVNS-UHFFFAOYSA-N
-rxn:4:214296:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3nccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,LDUUXQJCBGGMQV-UHFFFAOYSA-N
-rxn:4:214322:223974,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)c(C(F)(F)F)c2)CC1,HKERUYPSQJFXTO-UHFFFAOYSA-N
-rxn:4:214349:226475,CCOc1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)c(OCC)n1,YDDVNBQGWYWBAX-UHFFFAOYSA-N
-rxn:4:214702:223602,CCN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,SKFGUTXPZYQWPK-UHFFFAOYSA-N
-rxn:4:214705:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1,KTVBQAAVTPSEQS-UHFFFAOYSA-N
-rxn:4:214705:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)c2)CC1,MAFVHPBKLVXWCM-UHFFFAOYSA-N
-rxn:4:214744:224193,CCN1CCN(Cc2cc(-c3ccc(N4CCC(N(C)C)CC4)cc3C#N)ccc2F)CC1,FHSJPWAWEUZOQQ-UHFFFAOYSA-N
-rxn:4:214750:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(N3CCN(C(=O)N(C)C)CC3)c2)c1,NYYYIWHSISKXDF-UHFFFAOYSA-N
-rxn:4:214769:223835,Cc1cc(F)c(-c2ccc(N3CCN(C(C)C)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCC(C)CC1,VMRAFHVLAYLDEQ-UHFFFAOYSA-N
-rxn:4:214773:225167,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cc(F)cc(C(=O)N4CCCC4)c3)c2)CC1,MXPZYZBJKFMENO-UHFFFAOYSA-N
-rxn:4:214786:224378,O=C1CN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)CCN1c1cccnc1,XOWURLOTYFYZKG-UHFFFAOYSA-N
-rxn:4:214819:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)ccc(F)c2s1,CVEVUWSMPMYMFY-UHFFFAOYSA-N
-rxn:4:214828:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(C(=O)N2CCC(c3ccn(C)n3)CC2)c1,KLETXZJYHMQZTI-UHFFFAOYSA-N
-rxn:4:214829:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,DRILGVMKJMFSHQ-UHFFFAOYSA-N
-rxn:4:214838:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)s2)CC1,RXZZIGMTIMIJMR-UHFFFAOYSA-N
-rxn:4:214839:226474,CN(C)CCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,JZDSUHGDNRNKOB-UHFFFAOYSA-N
-rxn:4:214839:227297,CN(C)Cc1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,AKNPHMAHRNZXLX-UHFFFAOYSA-N
-rxn:4:214853:223508,N#Cc1c(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cccc1N1CCN(C2CCCC2)CC1,VUBUDAPRANRWJE-UHFFFAOYSA-N
-rxn:4:214854:225222,CC1CCCCN1c1cc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)c(F)cn1,XGMZRGWTACPITF-UHFFFAOYSA-N
-rxn:4:214865:223024,CCCNC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,QARGAGJEUOWMFV-UHFFFAOYSA-N
-rxn:4:214871:226182,O=C(C1CCCN(c2ncc(-c3cccnc3C3CCCCC3)cc2Cl)C1)N1CCOCC1,QNSWAALNILORMZ-UHFFFAOYSA-N
-rxn:4:214871:227212,CCCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,ZPQNGNLOSIRYIH-UHFFFAOYSA-N
-rxn:4:214888:226331,N#CC1(c2ccc(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)c(F)c2)CC1,SGQYPSTYKMYHLG-UHFFFAOYSA-N
-rxn:4:215141:224254,CCN1CCN(C(=O)c2cc3cc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)ccc3[nH]2)CC1,YGIUFPQADTVKIH-UHFFFAOYSA-N
-rxn:4:215214:226307,COCc1cc(C)cc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)c1OC,IRUSXXXCZCFUOQ-UHFFFAOYSA-N
-rxn:4:215228:226778,COc1cc(-c2ccc3nc(N4CCN(C(=O)C5CCCCC5)CC4)sc3c2)c(F)c(F)c1OC,GCDIGAZTWTTXFJ-UHFFFAOYSA-N
-rxn:4:215509:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(N4CC(C#N)C4)nc3)c(F)cn2)CC1,CFLJURRSCCMMKF-UHFFFAOYSA-N
-rxn:4:215708:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(C(=O)N3CCOCC3)nc2)CC1,FYYHMMJMJRDQRF-UHFFFAOYSA-N
-rxn:4:215725:222466,COc1nc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)nn1C1CCCCO1,KYTCDZYRBKDZMR-UHFFFAOYSA-N
-rxn:4:215785:223811,COc1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)nnn1C1CCCCC1,GOCSOMHQAZLBHI-UHFFFAOYSA-N
-rxn:4:215900:222598,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc(C)c1S(=O)(=O)NC1CCCC1,RWEUPWHNUYVWES-UHFFFAOYSA-N
-rxn:4:215904:224312,CN1CCN(C(=O)c2cc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)ccc2F)CC1,HYWIJPCJROOJPP-UHFFFAOYSA-N
-rxn:4:215904:224318,CN1CCN(C(=O)c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2F)CC1,GXBOAFHAXLXPJT-UHFFFAOYSA-N
-rxn:4:215936:224253,CSc1ncc(-c2ccc(F)c(C(=O)N3CCCCC3C)c2)c(N2CC(C)OC(C)C2)n1,HNWFJGGMBRIJNC-UHFFFAOYSA-N
-rxn:4:215943:223835,Cc1cc(F)c(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,PNZNJTUXTNOXLH-UHFFFAOYSA-N
-rxn:4:215951:222537,CC(C)N1CCN(c2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)CC1,WIGAJGGIHKGMCO-UHFFFAOYSA-N
-rxn:4:215955:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,ZIWMQRIUNKUWDE-YHBQERECSA-N
-rxn:4:215956:223835,Cc1cc(F)c(-c2cncc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,GDPDHRQVXXBLKT-UHFFFAOYSA-N
-rxn:4:215957:223712,COc1ccc(-c2cccnc2N2CCC(N(C)C)CC2)cc1C12CC3CC(CC(C3)C1)C2,WPDGNOAMNLLHLH-UHFFFAOYSA-N
-rxn:4:215964:222695,Cc1ccc(-c2cc(N3CCCC(C)C3)nc(C3CC3)n2)cc1S(=O)(=O)NC1CCCC1,MIQZHOHHOKBOJF-UHFFFAOYSA-N
-rxn:4:215965:223508,CC1CCN(c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)nc(C3CC3)n2)CC1,OGGIZRMALXRXTD-UHFFFAOYSA-N
-rxn:4:215966:223508,CC1CCN(c2cc(C3CC3)nc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)n2)CC1,KNFBMCCGNHSGJX-UHFFFAOYSA-N
-rxn:4:216206:223815,COc1cc2c(cn1)c(-c1ccc(Cl)c(CN3CCC4(CC3)OCCO4)c1)nn2C1CCCCO1,GPUJIHSXUZXGQE-UHFFFAOYSA-N
-rxn:4:216231:224591,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1ccc(Cl)c(CN2CCC(C)CC2)c1,LVLIKSDWTFGMBQ-UHFFFAOYSA-N
-rxn:4:216319:224659,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cccc(C(=O)N5CCN(C)CC5)c4)ccc3S2(=O)=O)n1,RZBYLTPMWRYSBF-UHFFFAOYSA-N
-rxn:4:216774:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC4)n3)cc2[N+](=O)[O-])CC1,ACJIUHKOGBXUQB-UHFFFAOYSA-N
-rxn:4:217076:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4)nn3)cc2[N+](=O)[O-])CC1,ZHZCGDIJMOWZMV-UHFFFAOYSA-N
-rxn:4:217107:223640,CCOC12C(=O)c3cc(F)cc(-c4cncc(N5CCN(C)C5=O)c4)c3C(=O)C1C2(C)C,WNIPMABWHVOMKL-UHFFFAOYSA-N
-rxn:4:217207:223838,Cc1cc(N2CCCCC2C)nc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1,INSANIREGIZRRQ-UHFFFAOYSA-N
-rxn:4:218568:222771,CC(C)Oc1ccc(C(=O)N2CC(Cn3cc(-c4ccc(F)c(C(=O)NC5CCCC5)c4)cn3)C2)cn1,XLPIJAAODZVOAH-UHFFFAOYSA-N
-rxn:4:218587:225051,CC1CCCN(c2cc(F)cc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c2)C1,JORQJJBWDBYYRT-UHFFFAOYSA-N
-rxn:4:218587:225055,CC1CCCN(c2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(Cl)c2)C1,YVIFNRKNQUORRG-UHFFFAOYSA-N
-rxn:4:218589:225186,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(F)c(CN5CCSCC5)c4)cn3)C2)cc1,GKHCZODNUOUPHI-UHFFFAOYSA-N
-rxn:4:218643:225293,CC(C)Oc1cc(-c2cncc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)c2)ccc1C(F)(F)F,PXXDHANURCYCTF-UHFFFAOYSA-N
-rxn:4:218653:223047,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5cc(F)cc(C(=O)NC6CC6)c5)cn4)C3)CC2=O)cc1,GBFYSJZPIOAIML-UHFFFAOYSA-N
-rxn:4:218655:225984,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,XNEMPHDVTYEESH-UHFFFAOYSA-N
-rxn:4:218656:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCCN(C(=O)c4cn(C)c(=O)cc4OC)C3)nc2)CC1,JWNGZNJNQQYQLZ-UHFFFAOYSA-N
-rxn:4:218656:225877,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,SILQGAJNVMVAMU-UHFFFAOYSA-N
-rxn:4:218687:223608,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)c3)CC2)nn1,IQIGCVMBDKWZSD-UHFFFAOYSA-N
-rxn:4:218699:223251,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4ccc5c(c4)OCC(=O)N5)c3)ccc2C#N)CC1,BIAUPCBLMVFNAU-UHFFFAOYSA-N
-rxn:4:218746:224949,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5ccc(OC)c(CN6CCCC6)c5)cc4)nnc3s2)C1,PDIJDGKFSQLMHM-UHFFFAOYSA-N
-rxn:4:218785:225984,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc1-2,ZPPWAKUEOQALTH-UHFFFAOYSA-N
-rxn:4:218868:227386,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnn(C4CCCCC4)c3)cc2)no1,FWAGYGFQKWBNHR-UHFFFAOYSA-N
-rxn:4:218885:222634,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,VKRXUTSHSBJYIN-UHFFFAOYSA-N
-rxn:4:218885:224328,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCCCC4C)c3)cn2)CC1,NDVNFDGBXZPWLO-UHFFFAOYSA-N
-rxn:4:218887:222584,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,UECNDNOGAIBNIW-UHFFFAOYSA-N
-rxn:4:218887:223945,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,OEYBIRFCGPLEBX-UHFFFAOYSA-N
-rxn:4:218897:224670,CN1CCN(Cc2ccc(F)c(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)c2)CC1,SFXVBOPNVFUPLE-UHFFFAOYSA-N
-rxn:4:218899:224883,CC(c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc1)N1CCCCC1,QTXQFFYFJPKSPU-UHFFFAOYSA-N
-rxn:4:218899:225052,CC1CCCCN1c1cc(F)cc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)c1,XYSQBGXHIQIAKI-UHFFFAOYSA-N
-rxn:4:218899:225053,CC1CCCCN1c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)c(F)c1,CQSDBNQSOYFVGI-UHFFFAOYSA-N
-rxn:4:218899:225223,CC1CCN(c2cc(F)c(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cn2)CC1,FRYMZSLYHPUDHQ-UHFFFAOYSA-N
-rxn:4:218915:224325,Cc1nc(CN2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)cs1,LZSOFSPPZPUDHL-UHFFFAOYSA-N
-rxn:4:218944:226448,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(C4CCCC4)c3)cc2[N+](=O)[O-])CC1,LQWRSARQMHPENB-UHFFFAOYSA-N
-rxn:4:218992:227909,CCC(C)c1cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)ccn1,SDQZKXNWDVIWRB-UHFFFAOYSA-N
-rxn:4:218992:228692,CN(C)Cc1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)s1,WQLKWCQMXDLLMA-UHFFFAOYSA-N
-rxn:4:219000:223995,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(CCn5ncccc5=O)CC4)cc3)cc(C(F)(F)F)c2)CC1,NPAFQCGKYSANTK-UHFFFAOYSA-N
-rxn:4:219015:225535,CCN(CC)Cc1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)ccc1Cl,XZIUFBQHOLJSKT-UHFFFAOYSA-N
-rxn:4:219046:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,MBUQAEKWMIPGQX-UHFFFAOYSA-N
-rxn:4:219071:225367,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cnc(N6CCC(F)(F)CC6)nc5)cc4)CC3)n[nH]2)cc1,DTBKLSCWCOFQQA-UHFFFAOYSA-N
-rxn:4:219075:222524,COc1ccc(-c2cc(N3CCCN(C(=O)c4cccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)c4)CC3)[nH]n2)cc1,PNKXZVDHFQFUQO-UHFFFAOYSA-N
-rxn:4:219120:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2Cl)CC1,CKMLCEMHKSROPE-UHFFFAOYSA-N
-rxn:4:219129:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)ccn2)CC1,NEUQSZOBMJRCFW-UHFFFAOYSA-N
-rxn:4:219157:223601,COc1ccc(COc2ncc(-c3ccc(OC)cc3C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)cc2C(F)(F)F)cc1,JNUJMNQTTZIOOA-UHFFFAOYSA-N
-rxn:4:219238:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(OC4CCN(C(=O)c5ccno5)C4)nc3)c2)CC1,PVGCUUDYZGWZFE-UHFFFAOYSA-N
-rxn:4:219239:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Oc5cnsn5)C4)c3)c(F)c2)CC1,RGPRKNWNYLFKIX-FPCUACJBSA-N
-rxn:4:219271:224491,CC(C)N(Cc1cc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)ccc1F)C(C)C,JWNOMTWEBUNVSH-UHFFFAOYSA-N
-rxn:4:219360:223790,Cc1nnsc1C(=O)N1CCC(Oc2ncccc2-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)CC1,IXSCLIONRYMGIC-UHFFFAOYSA-N
-rxn:4:219402:223945,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GSBJVYCQEZLDAG-UHFFFAOYSA-N
-rxn:4:219405:222546,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,GJQGSLXDVJWHRZ-UHFFFAOYSA-N
-rxn:4:219410:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,IWGTWROMJAJKCQ-UHFFFAOYSA-N
-rxn:4:219419:225631,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4)o3)CC2)cc(C(F)(F)F)n1,BNUXWRIOUGLKIO-UHFFFAOYSA-N
-rxn:4:219436:228388,Cc1cnc(C(F)F)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C#N)c1,IEESPDSXMXHPRE-UHFFFAOYSA-N
-rxn:4:219444:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCC(c5nnc(-c6ccco6)s5)CC4)c3)ccc2OC)CC1,NDBCTSJGPFLTLE-UHFFFAOYSA-N
-rxn:4:219477:224704,CC1CCN(c2cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc(F)c2F)CC1,QXKQZWRUJMLUGK-UHFFFAOYSA-N
-rxn:4:219477:225051,CC1CCCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)C1,VLBONDWRRRLHQW-UHFFFAOYSA-N
-rxn:4:219477:225059,CC1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c(Cl)c2)CC1,NBWIWJFLRWSUOI-UHFFFAOYSA-N
-rxn:4:219477:225061,CC1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c(F)c2)CC1,CBRFFNMJDVQHBG-UHFFFAOYSA-N
-rxn:4:219477:225313,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c(F)n2)CC1,PRSDAWZJOIZCLP-UHFFFAOYSA-N
-rxn:4:219477:225367,O=C(c1ccccc1-c1cnc(N2CCC(F)(F)CC2)nc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,HYSYOTHJZOAYCQ-UHFFFAOYSA-N
-rxn:4:219479:224883,CC(c1ccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cc1)N1CCCCC1,OEVFXJRYVYVTAD-UHFFFAOYSA-N
-rxn:4:219479:225212,CN1CCN(c2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)c2)CC1,RABJGZGMFLJJCH-UHFFFAOYSA-N
-rxn:4:219479:225215,CC1CCN(c2nccc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)c2Cl)CC1,CBMPQOOWLFSHMP-UHFFFAOYSA-N
-rxn:4:219479:225228,CN1CCN(c2ccc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)c(F)c2)CC1,PRXPCKJFQFOKTG-UHFFFAOYSA-N
-rxn:4:219488:222634,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)cn1,AEVORMRLFWNUAO-IBGZPJMESA-N
-rxn:4:219499:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1Cl,RCRMKTNDNOSOHH-UHFFFAOYSA-N
-rxn:4:219501:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,NHWWVZKDZMJONI-UHFFFAOYSA-N
-rxn:4:219501:227893,CSc1ncc(-c2cccc(CN(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,GDYAYNKEHPLTKP-UHFFFAOYSA-N
-rxn:4:219501:228692,CSc1ncc(-c2ccc(CN(C)C)s2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,DSCNRURMCOMQKY-UHFFFAOYSA-N
-rxn:4:219517:225600,CN1CCC(N2CCCC(COc3ncc(-c4cccnc4OC4CCCCC4)cn3)C2)C1=O,IFIBCJUYSDXHMP-UHFFFAOYSA-N
-rxn:4:219522:223777,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc5c(c4F)CCN(C(=O)OC(C)(C)C)C5)c3)CC2)nc(C)n1,QBGIMKQKTBGOPQ-UHFFFAOYSA-N
-rxn:4:219529:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,YMNLIOUNBYIHKC-UHFFFAOYSA-N
-rxn:4:219532:222839,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(NCC2CCCCC2)nc1,OUCCLAYRMKCZEN-UHFFFAOYSA-N
-rxn:4:219532:227875,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cccc2c1CCCO2,RSPQTBBLGNNAIE-UHFFFAOYSA-N
-rxn:4:219543:225633,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCCC5)nc4)cc3)CC2)n1,DQCLBKVNYXTHCS-UHFFFAOYSA-N
-rxn:4:219565:226395,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cncc(N5CCCCC5)c4)cc3)CC2)n1,RNIXJODXWGDRNR-UHFFFAOYSA-N
-rxn:4:219614:223892,CN1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(S(=O)(=O)c4cccc5nsnc45)C3)cc2)CC1,SRDPJXGKUVWNSE-UHFFFAOYSA-N
-rxn:4:219638:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc3c(C4CCCN4C(=O)OC(C)(C)C)nnn3c2)cc1,BBYIEAJQAZZACE-UHFFFAOYSA-N
-rxn:4:219654:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,ISMZPDYMFZMQPJ-UHFFFAOYSA-N
-rxn:4:219654:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)CC1,WWNIWOWRYWEWLK-UHFFFAOYSA-N
-rxn:4:219654:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,AIQIBLTVLCGZHX-UHFFFAOYSA-N
-rxn:4:219654:225638,CC1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cn2)CC1,XEBUYRMYXGKBGW-UHFFFAOYSA-N
-rxn:4:219678:225859,N#Cc1ccc(N2CC3CN(S(=O)(=O)c4ccccc4-c4cnc(N5CCCCC5)c(Cl)c4)CC3C2)nc1,CSJCJERZCBPROF-UHFFFAOYSA-N
-rxn:4:219688:225976,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccnc(N5CCOCC5)c4F)cn3n2)CC1,SIXAIKOTNJRMJJ-UHFFFAOYSA-N
-rxn:4:219689:225341,CCOc1ccc(OC(F)(F)F)c(-c2cnc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn23)c1,XGQMELNPAPMYPH-UHFFFAOYSA-N
-rxn:4:219704:225319,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cc(F)c(F)c(N5CCOCC5)c4)cc3n2)CC1,APRXNQPEYUHGSC-UHFFFAOYSA-N
-rxn:4:219707:222741,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4cc(C5CC5)nc(C5CCCNC5)c4)c(Cl)cc23)CC1,PUUKZYAFVNNUBW-UHFFFAOYSA-N
-rxn:4:219707:225825,CN1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,DNFHMMRQGSXBJQ-UHFFFAOYSA-N
-rxn:4:219750:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,YRBSHMSPAKWSAJ-UHFFFAOYSA-N
-rxn:4:219759:225877,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,SXDGWMNCDOLAHE-UHFFFAOYSA-N
-rxn:4:219853:224126,CCN1CCN(C(C)c2cccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)c2)CC1,OPZMUCMJPURWHV-UHFFFAOYSA-N
-rxn:4:219868:223687,CCN1CCN(c2c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cncc2[N+](=O)[O-])CC1,PKXRNNZOYIOWFU-UHFFFAOYSA-N
-rxn:4:219929:222634,CC(C)N1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,JHDSBXWOILIYIF-UHFFFAOYSA-N
-rxn:4:219934:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)ccc(F)c2s1,OCJSJEMTQLTNCL-UHFFFAOYSA-N
-rxn:4:219937:222542,Cc1ccc(-c2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)cc1OCCCN1CCNCC1,JHDJJESQLAAZCI-UHFFFAOYSA-N
-rxn:4:219984:223844,CCc1cc(N2CCN(c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cc3)CC2)ncn1,BEYIJWKHSWDCPH-UHFFFAOYSA-N
-rxn:4:220114:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)N4CCC(c5nnc6ccccn56)CC4)o3)ccn2)CC1,GWSZYGCMVHMHCR-UHFFFAOYSA-N
-rxn:4:220205:226249,CCCCOc1cc(Cl)cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c1,GJKORUNDJWHHKW-UHFFFAOYSA-N
-rxn:4:220222:224325,Cc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,RNVBORFTZNLKJI-UHFFFAOYSA-N
-rxn:4:220225:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)c1,FRKQCLHDMSQWSR-UHFFFAOYSA-N
-rxn:4:220400:222616,CN1CCN(c2cc([N+](=O)[O-])cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)n2)CC1,GTWGJZJQOGYYNA-UHFFFAOYSA-N
-rxn:4:220400:223508,CN1CCN(c2cc([N+](=O)[O-])cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)n2)CC1,DSFDSWRRNXRUMO-UHFFFAOYSA-N
-rxn:4:220413:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(N(C)C)CC4)nc3)cc2)CC1,VMAHAQVPQSNVCX-UHFFFAOYSA-N
-rxn:4:220429:224662,CN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)CC1,SWVJVDXKBCSVBR-UHFFFAOYSA-N
-rxn:4:220432:223835,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cc3)CC2)n1,WDOMNDCMWBQWNE-UHFFFAOYSA-N
-rxn:4:220533:225009,Cc1cnc(OC2CCCCC2)c(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)c1,AALFOMYNMQTPSB-UHFFFAOYSA-N
-rxn:4:220537:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c(F)c2s1,GSOCIYLBNBARFR-UHFFFAOYSA-N
-rxn:4:220546:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCN(c5ncnc6c5CCC6)CC4)cc3)c2)CC1,NRRLSSQHRDGINW-UHFFFAOYSA-N
-rxn:4:220547:225867,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(Cl)c(N6CCCCC6)c5)c(C)c4)C3C2=O)c1,UVEWFHQVNSAEEO-UHFFFAOYSA-N
-rxn:4:220818:222389,CN1CCCN(c2ncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,YNSYQFDOOYPCFX-UHFFFAOYSA-N
-rxn:4:221100:224759,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,ZTPBPIVDVGXDBE-UHFFFAOYSA-N
-rxn:4:221110:225950,Cc1cnn(-c2ncc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)c(C)n2)c1,ILBCUJJSBTWDEO-UHFFFAOYSA-N
-rxn:4:221114:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,CGQWQMCPMPWTRR-UHFFFAOYSA-N
-rxn:4:221169:223658,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cn3)C2)cn1,OIEHRWHCSKYXCD-UHFFFAOYSA-N
-rxn:4:221172:222584,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)ccc1=O,PMTRAZUOPUFTNJ-UHFFFAOYSA-N
-rxn:4:221175:225050,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(N5CCC(C)CC5)c4)cn3)C2)C(=O)C1=O,AZESLGROUZVCJQ-UHFFFAOYSA-N
-rxn:4:221175:225061,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N5CCC(C)CC5)cc4F)cn3)C2)C(=O)C1=O,AQYZSVFBJZVCQL-UHFFFAOYSA-N
-rxn:4:221175:225232,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(Cl)c(N5CCC(C)CC5)c4)cn3)C2)C(=O)C1=O,WODAIYIZDUXGSL-UHFFFAOYSA-N
-rxn:4:221175:227116,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C5CC5)cc(Cl)c4C)cn3)C2)C(=O)C1=O,GAWNVZSMDYKVAI-UHFFFAOYSA-N
-rxn:4:221175:227903,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(N(C)CC)c4)cn3)C2)C(=O)C1=O,VBHZOTILQIXFKL-UHFFFAOYSA-N
-rxn:4:221175:228268,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(F)c4SC)cn3)C2)C(=O)C1=O,MJCNVGFTTKRUTM-UHFFFAOYSA-N
-rxn:4:221175:228270,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)c(Cl)cc4OC)cn3)C2)C(=O)C1=O,UVCPEPZDJKFUDK-UHFFFAOYSA-N
-rxn:4:221175:228281,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)cc(Cl)c4C)cn3)C2)C(=O)C1=O,SLBRZNFBCFOCIV-UHFFFAOYSA-N
-rxn:4:221175:228363,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(N(C)C)cc4F)cn3)C2)C(=O)C1=O,ODJUBUZXZGMULS-UHFFFAOYSA-N
-rxn:4:221175:228639,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(F)c4C)cn3)C2)C(=O)C1=O,AIWXYUDOOIVVIW-UHFFFAOYSA-N
-rxn:4:221175:228700,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N(C)C)nc4)cn3)C2)C(=O)C1=O,KKJHABVWDLGIPL-UHFFFAOYSA-N
-rxn:4:221175:228913,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(OC)c4F)cn3)C2)C(=O)C1=O,CTPXDPUTAQWCPG-UHFFFAOYSA-N
-rxn:4:221175:228922,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(OC)ccnc4F)cn3)C2)C(=O)C1=O,LGZZIAMZJPELPG-UHFFFAOYSA-N
-rxn:4:221180:222585,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccccc4C(=O)NCCN4CCOCC4)cn3)CC2)nn1C,AJTXYIQVBPYTQM-UHFFFAOYSA-N
-rxn:4:221180:225186,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(F)c(CN5CCSCC5)c4)cn3)CC2)nn1C,UVICPVHECFUNPN-UHFFFAOYSA-N
-rxn:4:221195:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1,ZTUDEQHBLXNDTF-UHFFFAOYSA-N
-rxn:4:221198:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2cnc(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)nc2)cn1,YSYAPVNPIIYDFL-UHFFFAOYSA-N
-rxn:4:221198:224718,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)nn1,KUDBALXZTWYLQI-UHFFFAOYSA-N
-rxn:4:221228:222621,CC(C)Cc1cc(-c2cnc(OCC3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)cc(C2CCCNC2)n1,CKFZYJXUHVDHDI-UHFFFAOYSA-N
-rxn:4:221228:222723,O=C(c1cnc2ccccc2n1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,MTHYWWIFNNAADA-UHFFFAOYSA-N
-rxn:4:221229:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnc(OCC3CCCN(C(=O)c4cnc5ccccc5n4)C3)nc2)CC1,VEYBKUDOGSENRI-UHFFFAOYSA-N
-rxn:4:221230:224406,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cn3)C1)CCC2,UFHHQPUIDRGKQT-UHFFFAOYSA-N
-rxn:4:221232:223177,CS(=O)(=O)NCc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)cc1,JIYXXTRTVMXEPG-UHFFFAOYSA-N
-rxn:4:221347:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5ncc(F)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,PYFFNKHNZZMDRW-UHFFFAOYSA-N
-rxn:4:221351:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c2)CC1,CZONSUBFRRHRAW-UHFFFAOYSA-N
-rxn:4:221360:222723,Cn1cnc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1,FQWGFKFVOVRVOY-UHFFFAOYSA-N
-rxn:4:221363:222546,Cc1ccnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)n1,KSMALQBOZHLDAD-UHFFFAOYSA-N
-rxn:4:221372:222583,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)o3)CC2)c1,VACQVQILKUXVOD-UHFFFAOYSA-N
-rxn:4:221374:223595,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)c1=O,YBRIKAYEIGZLMG-UHFFFAOYSA-N
-rxn:4:221382:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)c2)CC1,AKEZMAJOVNASTO-UHFFFAOYSA-N
-rxn:4:221382:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)c2)CC1,LNXOWFQMEDKRAA-UHFFFAOYSA-N
-rxn:4:221393:223055,Cc1nc(N2CCNCC2)ccc1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1,ZDSHBJLKPAFBNP-UHFFFAOYSA-N
-rxn:4:221393:225313,CN1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(F)n2)CC1,HDDUNYREQZHGKN-UHFFFAOYSA-N
-rxn:4:221393:225639,CC1CCN(c2ncccc2-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)CC1,NFSDPXVHDQTGEJ-UHFFFAOYSA-N
-rxn:4:221411:222584,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)n(C2CC2)c1=O,KTXCRDBHLCUTCT-UHFFFAOYSA-N
-rxn:4:221422:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,YDBHZJOQJIHMON-UHFFFAOYSA-N
-rxn:4:221422:226231,CCCCOc1ncc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1C,LJAWBGBFEWXSER-UHFFFAOYSA-N
-rxn:4:221427:226652,Cc1cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)n(C2CCCCO2)n1,GHOOLIOVTQZJPG-UHFFFAOYSA-N
-rxn:4:221438:225769,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4cc(OCC5CC5)c(F)cc4F)o3)CC2)nn1,IUSKGAHCHVKDFT-UHFFFAOYSA-N
-rxn:4:221440:227101,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(C5CC5)cc4Cl)cc3)CC2)n1,BXOBOXZQYQNBAD-UHFFFAOYSA-N
-rxn:4:221440:227110,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)c(C)cc4Cl)cc3)CC2)n1,FTEIEPGMBWVXGP-UHFFFAOYSA-N
-rxn:4:221440:227408,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)ncc4F)cc3)CC2)n1,IFMULELKGYGGGY-UHFFFAOYSA-N
-rxn:4:221442:223114,CCCNC(=O)c1cccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1,YPTWNKCPKKOWCS-UHFFFAOYSA-N
-rxn:4:221449:222920,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4C)cc3)CC2)n1,UCNHXTIMGNEKTN-UHFFFAOYSA-N
-rxn:4:221449:228015,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(Cl)c4C4CC4)cc3)CC2)n1,XBVOXCLAYHVRPT-UHFFFAOYSA-N
-rxn:4:221449:228234,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C5CC5)ccnc4F)cc3)CC2)n1,GXEAPBGGAMYHFD-UHFFFAOYSA-N
-rxn:4:221452:226115,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cccc(C(=O)CC(C)C)c4)c3)CC2)n1,PGVUDMIJDVJLNN-UHFFFAOYSA-N
-rxn:4:221456:227981,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)cc4Cl)cc3)CC2)n1,PDUBHBNVYZRWEL-UHFFFAOYSA-N
-rxn:4:221456:228010,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)ccc4C4CC4)cc3)CC2)n1,GJLZCSDNMARSBV-UHFFFAOYSA-N
-rxn:4:221456:228017,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)ccc4Cl)cc3)CC2)n1,ZILCJNFNJWNZNO-UHFFFAOYSA-N
-rxn:4:221456:228216,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CC5)c4Cl)cc3)CC2)n1,PNPICJZXRGUETC-UHFFFAOYSA-N
-rxn:4:221456:228218,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)ncc4F)cc3)CC2)n1,WCQFAIOXUVLAAT-UHFFFAOYSA-N
-rxn:4:221456:228230,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)c(Cl)c4)cc3)CC2)n1,ZUFAYULWEKKSKL-UHFFFAOYSA-N
-rxn:4:221498:223945,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c23)CC1,HLLCMPPZGGPGEX-UHFFFAOYSA-N
-rxn:4:221613:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1,SQJBESGDQITLET-UHFFFAOYSA-N
-rxn:4:221625:222602,CC(C)Cc1cc(-c2cnc(N3CCC(Cn4cnccc4=O)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,YOTOFGRIPIFYSR-UHFFFAOYSA-N
-rxn:4:221641:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,FMGOGHIMRQFLEL-UHFFFAOYSA-N
-rxn:4:221641:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,MLUPAMYSVRZAOO-UHFFFAOYSA-N
-rxn:4:221726:223106,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cnc(N4CCC(O)C4)nc3Cl)cn2)CC1,JPWDIIJBPHUGKB-UHFFFAOYSA-N
-rxn:4:221727:223785,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)cc2Cl)CC1,YCUCHJUNJNBDAN-UHFFFAOYSA-N
-rxn:4:221832:222697,O=C(c1cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1Cl)N1CCC(O)CC1,ZMWWNYXDRUZFEH-UHFFFAOYSA-N
-rxn:4:221832:224686,O=C(c1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c(F)c1)N1CCCCC1,ZPYSOSKYWSRQBJ-UHFFFAOYSA-N
-rxn:4:221836:224678,O=C(c1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1F)N1CCCCC1,OTZBNXYUCLUCBW-UHFFFAOYSA-N
-rxn:4:221836:224681,O=C(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1F)N1CCCCC1,HKAYYBCFPOKKKR-UHFFFAOYSA-N
-rxn:4:221836:225378,CN(C)S(=O)(=O)c1cc(F)c(F)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,ZNKIJMKLFKJSKM-UHFFFAOYSA-N
-rxn:4:221919:222857,CCOc1ccc(-c2cc(OC)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,IKHMGCRQWKGEPF-UHFFFAOYSA-N
-rxn:4:221965:224729,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(OC)c5C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,FGMZGRPQSNXYOX-UHFFFAOYSA-N
-rxn:4:221965:226541,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)OC)c(OC)c5)cc4)CC3)nn2)CC1,KXQIKENDMFZFCS-UHFFFAOYSA-N
-rxn:4:221965:228243,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(C)=O)c5F)cc4)CC3)nn2)CC1,KTVHCDBLOOSHRJ-UHFFFAOYSA-N
-rxn:4:221965:228246,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(C)=O)ccc5Cl)cc4)CC3)nn2)CC1,JIUSGHKVAGLHQO-UHFFFAOYSA-N
-rxn:4:221967:223978,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)cc2)c1=O,KKJLWCWRZZQLRI-UHFFFAOYSA-N
-rxn:4:221980:224718,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCN6CCOCC6)nc5)c4)sc3n2)CC1,NYOWRBBTSCWPJS-UHFFFAOYSA-N
-rxn:4:221983:225869,Cc1cc(C)n2c(-c3ccc(N4CCOCC4)c(Cl)c3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,BBIHQSUQYSQBJH-UHFFFAOYSA-N
-rxn:4:222002:224325,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2C#N)CC1,QUVPJJKJZSXJEA-UHFFFAOYSA-N
-rxn:4:222021:222540,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)CC2)c1F,KZKHIQGNTCVSEB-UHFFFAOYSA-N
-rxn:4:222029:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C(F)(F)F)cnc1N1CCN(c2nccc(N(C)C)n2)CC1,ZXCFUQBZWBYMGS-UHFFFAOYSA-N
-rxn:4:222045:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1,JNYQGTLJKJDBNT-UHFFFAOYSA-N
-rxn:4:222045:224316,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cc(F)cc(C(=O)N6CCN(C)CC6)c5)c4)CC3)nn2)n1,YVCOUDGTFFNSEX-UHFFFAOYSA-N
-rxn:4:222062:228883,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)cnc4F)cc3)CC2)n1,SWGVIGIWJCLIKB-UHFFFAOYSA-N
-rxn:4:222062:228966,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc([N+](=O)[O-])c4)cc3)CC2)n1,UNPMGNJQBWTEPN-UHFFFAOYSA-N
-rxn:4:222079:223902,Cc1cc(C)nc(SCCn2c(-c3ccc(OCCN4CCC(C)CC4)c(F)c3)nc3c2c(=O)n(C)c(=O)n3C)n1,DTTUYQBYQMTAHA-UHFFFAOYSA-N
-rxn:4:222084:223993,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccccc6)C(=O)C54)n3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,RPAJKMQPLNBXET-UHFFFAOYSA-N
-rxn:4:222089:222881,CC(C)(C)NC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1,DFMUPELHJHBQOI-UHFFFAOYSA-N
-rxn:4:222089:224182,Cc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1OCCN1CCOCC1,LRKUZWNRAKRQDL-UHFFFAOYSA-N
-rxn:4:222089:225172,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cc(CN6CCOCC6)ccc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,WVOJVLFPDAEEHC-UHFFFAOYSA-N
-rxn:4:222089:225264,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1C(=O)OC,FZBJJYONGJDCQC-UHFFFAOYSA-N
-rxn:4:222108:222925,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CNC7)c(C(F)(F)F)c6)cc5)no4)C3C2=O)cc1F,HPWCQBZSAHVMPN-UHFFFAOYSA-N
-rxn:4:222145:223504,CSc1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(N2CC(n3nccn3)C2)n1,BOHFHJLTWHTEJL-UHFFFAOYSA-N
-rxn:4:222150:222466,COc1ccnc(N2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,CKJNGIWBPWAZQG-UHFFFAOYSA-N
-rxn:4:222153:224372,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4cc(C(=O)N5CCCC5)cc([N+](=O)[O-])c4)cn3)CC2)n1,QAOYHARLJDJATK-UHFFFAOYSA-N
-rxn:4:222229:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c2)CC1,MYOOURHFCRBEDT-UHFFFAOYSA-N
-rxn:4:222255:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCC(COc5ccc6nnc(C7CC7)n6n5)C4)nc3)cc2C1,BFYZFTMMTSEOJK-UHFFFAOYSA-N
-rxn:4:222308:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccccc3C(=O)N3CCN(c4ncnc5c4nnn5-c4ccccc4)CC3)c(F)cn2)CC1,NZUJGJFJTLGSBB-UHFFFAOYSA-N
-rxn:4:222337:223051,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C(=O)NC5CC5)ccc4Cl)cn3)CC2)n1,CKKLTLMYOBDKQQ-UHFFFAOYSA-N
-rxn:4:222338:223056,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(N5CCC(O)CC5)nc4)cn3)CC2)n1,RNFMVMAAEKCCAI-UHFFFAOYSA-N
-rxn:4:222338:225044,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)cn3)CC2)n1,UNNRSZIHQQUMPS-UHFFFAOYSA-N
-rxn:4:222338:225829,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cnc(N5CCC(C)CC5)nc4)cn3)CC2)n1,XIWAQMSIUZTRSY-UHFFFAOYSA-N
-rxn:4:222349:222693,Cn1cnc2c(N3CC4CN(C(=O)c5cncc(-c6ccc(S(=O)(=O)NC7CCCCC7)cc6)c5)CC4C3)ncnc21,ZIMIQYWYKVWFPP-UHFFFAOYSA-N
-rxn:4:222380:222638,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(C(C)NC(=O)OC(C)(C)C)c6)cn5)CC4C3)ncnc21,KAAJCUDHYNIZJN-UHFFFAOYSA-N
-rxn:4:222389:193895,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(N2CCC(C)CC2)c1,LMVBZJZKYXTLTP-UHFFFAOYSA-N
-rxn:4:222611:175719,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OCC2CCC2)c(C(C)=O)c1,GJBMZRQLUJUBQQ-UHFFFAOYSA-N
-rxn:4:222630:187112,COc1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc(OC)c1CN1CCCC1,JUULFBUOPADBEU-UHFFFAOYSA-N
-rxn:4:222682:207669,COc1cccc(-c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)c1NC(=O)OC(C)(C)C,DUCWQSAYPCPDJT-UHFFFAOYSA-N
-rxn:4:222693:204013,CN(C)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,DKZDTGHEHMYOKE-UHFFFAOYSA-N
-rxn:4:222741:203895,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)CC1,CRUDMZRJXFRYHJ-UHFFFAOYSA-N
-rxn:4:222901:219988,CCCS(=O)(=O)NCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1,VGULKAXFPOQCCR-UHFFFAOYSA-N
-rxn:4:222910:204115,CCCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(C)c1,ZKUHYJQERCRGQM-UHFFFAOYSA-N
-rxn:4:222931:199539,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(Cl)c(N3CCCCC3O)c2)cc1,FHCMYGSWHKJNHL-UHFFFAOYSA-N
-rxn:4:222940:174437,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2F)c1,UPMNDJZSUYEMMI-UHFFFAOYSA-N
-rxn:4:222991:185198,COC(=O)c1cc(-c2ccc(N3CCCC(O)C3)cc2)ccc1CN1CCC(OC)CC1,WURJUOFTRWXFMS-UHFFFAOYSA-N
-rxn:4:223080:204753,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)cc2)cc1,HRAYMJBALOEHOT-UHFFFAOYSA-N
-rxn:4:223520:214254,CC(c1ccc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,ZFGFOTPJVGEJAX-UHFFFAOYSA-N
-rxn:4:223570:203951,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc([C@@H]4CCCN4[S@@](=O)C(C)(C)C)c3)c(F)ncc21,LIJOAEFCNIWRHE-CZTRJMPPSA-N
-rxn:4:223830:214736,CCN1CCN(S(=O)(=O)c2cc(-c3ccc([N+](=O)[O-])c(N4CCC(c5nccs5)CC4)c3)ccc2C)CC1,IYTDCOURXWJHOI-UHFFFAOYSA-N
-rxn:4:223830:219340,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)ccc2C)CC1,HDCQUKHFPAELPB-UHFFFAOYSA-N
-rxn:5:176860:225514:225831,COC(=O)c1c(-c2cccc3c2OCC2(CC2)CO3)ccc(OC)c1-c1cnc(N2CCOCC2)c(C)c1,BKXFZMXZSUCLRV-UHFFFAOYSA-N
-rxn:5:176993:223007:225607,CCCC(=O)c1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cc(F)cc(C3CCNCC3)c2)c1,KUQTYDIKSDCZIM-UHFFFAOYSA-N
-rxn:5:177180:223061:226427,CCOC(=O)c1c(C)cc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cc(N2CCC(C)CC2)cs1,MVHKOOMBAJFWEH-UHFFFAOYSA-N
-rxn:5:177181:223064:222405,CC(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cccc(C3NC(=O)NC3=O)c2)c1,CYLDYLOOSBVSHD-UHFFFAOYSA-N
-rxn:5:177182:225833:226654,CCOC(=O)c1cc(C)cc(-c2csc(N3CCC(C)CC3)n2)c1-c1ccnc(N2CCCCC2)c1F,LMMKGWVGWCZUEW-UHFFFAOYSA-N
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-rxn:5:181904:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cncc(C2CCNCC2)c1,DVVOCEQODMGYOH-UHFFFAOYSA-N
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-rxn:5:181908:223000:223105,CNS(=O)(=O)c1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCNC3)c(F)c2)c(F)cc1C,YRCOFQBTANGUSO-UHFFFAOYSA-N
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-rxn:5:181908:225438:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C(C)N3CCCC3)cc2)cc(C2CCCNC2)n1,ZYSXTQACTOUGRG-UHFFFAOYSA-N
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-rxn:5:183189:225683:225880,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2cc(C3CCOCC3)ncc2F)cc2c1OC(C)(C)OC2,XNTSBXPWWVFBIJ-UHFFFAOYSA-N
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-rxn:5:183228:225985:225655,CC1CCN(c2cncc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc4c3OC(C)(C)CC4)c2)CC1,GPNADLDYTBXDAR-UHFFFAOYSA-N
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-rxn:5:188448:226662:225436,COC(=O)c1cc(-c2ccc(CN3CCCCC3)cc2)c([N+](=O)[O-])cc1-c1ccc(N2CCN(C)CC2)s1,XUYWDJOGMSHZQQ-UHFFFAOYSA-N
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-rxn:5:188932:226649:223146,COC(=O)c1cc(-c2cccc(C3CNCCO3)c2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,WTTMQYVKXIHINJ-UHFFFAOYSA-N
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-rxn:5:189001:227103:226330,COC(=O)C1(c2nc(-c3ccc(C(C)N4CCCC4)s3)ccc2-c2sccc2C2CCCCC2)CC1,GTLUJOQJVCVYJM-UHFFFAOYSA-N
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-rxn:5:189207:225638:225616,CC1CCN(c2ccc(-c3ccc(-c4ccccc4C(=O)N4CCCC4)c(C(=O)ON4C(=O)CCC4=O)c3)cn2)CC1,BTCUCCYIVWCTMT-UHFFFAOYSA-N
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-rxn:5:189207:227100:226364,Cc1cc(C2CC2)cc(F)c1-c1ccc(-c2ccc(N3CCCCC3)nc2)c(C(=O)ON2C(=O)CCC2=O)c1,CGOLTLMVVTXHGS-UHFFFAOYSA-N
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-rxn:5:189209:226137:226422,CC(C)c1ncc(C2CC2)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(F)ccc2N2CCCC2)c1,UFWHMNMYTRMQPU-UHFFFAOYSA-N
-rxn:5:189209:226444:228376,Cc1nc(C2CCCO2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(F)c(C#N)c(F)c2)c1,VTVCUJWRYHGWHM-UHFFFAOYSA-N
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-rxn:5:189211:223063:226147,Cc1cc(OC(C)C)cc(C)c1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cc(F)nc(C2CCNCC2)c1,FAPVPVWNMXSBRS-UHFFFAOYSA-N
-rxn:5:189211:226141:227444,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2OC2CCCC2)c1-c1cncc(C2CCCO2)c1,WCFHZSDPRWHVBT-UHFFFAOYSA-N
-rxn:5:189211:226733:226324,CN(C)S(=O)(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cccnc2OC2CCCC2)cc1,LWAOBTGQIIOWRR-UHFFFAOYSA-N
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-rxn:5:189212:227048:223200,CC(C)C(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCNC3)cc2)cc1,GXMFIHSEKHEUDO-UHFFFAOYSA-N
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-rxn:5:189212:227520:222959,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnc(OC(C)C)cc2F)ccc1C1CCNCC1,QKQFIXYSUWZTHC-UHFFFAOYSA-N
-rxn:5:189212:228305:226679,CC(C)Oc1cnc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(N3CCCC3)cc2F)cn1,XKPAUHKQYZBPPK-UHFFFAOYSA-N
-rxn:5:189407:225871:223064,CN(Cc1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2ccc(C3CCNCC3)nc2F)c1)C1CC1,MAHFISONXQIOGF-UHFFFAOYSA-N
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-rxn:5:189512:225462:222996,CC1CCN(c2cccc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)c4cccc(-c5ccc(F)cc5C5CCCNC5)c4)c3)c2)CC1,NFYIQISJDRRXAV-UHFFFAOYSA-N
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-rxn:5:189676:225985:223065,O=C(Cc1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2cccc(N3CCCS3(=O)=O)c2)c1)N1CCCC1,ORDAKXUTJRQNKG-UHFFFAOYSA-N
-rxn:5:189826:227712:226338,O=C(Cc1ccc(-c2ccnc(OC3CCCC3)c2)cc1-c1ccc(OC(F)F)c(F)c1)N1CCOCC1,QALWLSPRPFTUKI-UHFFFAOYSA-N
-rxn:5:189827:227276:226644,CCc1cc(N(C)C)ncc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cncc(N2CCOCC2)c1,RJJILJMXVFUHEQ-UHFFFAOYSA-N
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-rxn:5:189909:225464:227375,CC1CCCN(c2cccc(-c3ccc(-c4ccc(N5CCCC5)nc4)cc3CCN3CCOCC3)c2)C1,GYUPMLMVYKZIQM-UHFFFAOYSA-N
-rxn:5:189909:225980:226794,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cnc(N3CCSCC3)nc2)cc1CCN1CCOCC1,GLPRZFLOZVEDOF-UHFFFAOYSA-N
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-rxn:5:190742:226583:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(N2CCOCC2)ncc1F,OGSXQXBAQBWQFU-UHFFFAOYSA-N
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-rxn:5:193871:226437:225592,O=C(c1ccc(-c2cc(F)ccc2CN2CCCC2)c(-c2cc(C3CCCC3)ncc2F)c1)N1CCC2(CC1)CC2,KPSMVJVWVUEFOA-UHFFFAOYSA-N
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-rxn:4:174406:224459,COC(=O)C1(c2ccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cc2)CC(OC)(OC)C1,PSLZOHOKVYWCIO-UHFFFAOYSA-N
-rxn:4:174407:224867,COC(=O)C1(c2cccc(-c3ccc(OCC4CCCCC4)cc3)c2)CC(OC)(OC)C1,UBFTXNOBQGBOCN-UHFFFAOYSA-N
-rxn:4:174407:225175,COC(=O)C1(c2cccc(-c3ccc(F)c(CN4CCOCC4)c3)c2)CC(OC)(OC)C1,FJFKCDJVVDZEQD-UHFFFAOYSA-N
-rxn:4:174436:223542,CN1CCN(S(=O)(=O)c2cc(-c3cc(CC4(C(=O)OC(C)(C)C)CC4)ccc3Cl)ccc2OC(F)(F)F)CC1,XVCJCCGZVCWNPM-UHFFFAOYSA-N
-rxn:4:174502:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)(OC)OC)cc(C(C)(C)C)c3OC)cc2)CC1,KSRQTSONCFXPSP-MEMLXQNLSA-N
-rxn:4:174520:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(S(C)(=O)=O)c3)c2)c(F)c1,QFZOORLJPGNSQZ-UHFFFAOYSA-N
-rxn:4:174524:226560,CCOc1cc(F)c(-c2cccc(C=Cc3cc(OC)c(C4OCCO4)cc3C(F)(F)F)c2C)cc1OC,ZBHLWLTXKXLMCG-UHFFFAOYSA-N
-rxn:4:174525:222468,CCCOc1c(-c2ccc3cc(NC(=O)OC(C)(C)C)ccc3c2)cc(C(C)(C)C)cc1C(C)(C)C,JZLXZDKURNJFBP-UHFFFAOYSA-N
-rxn:4:174528:223882,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc2c(C)cccc2n1C(=O)OC(C)(C)C,IZQUVLPVRANFQV-UHFFFAOYSA-N
-rxn:4:174568:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc3oc(C)c(C(=O)OC)c3cc2OC(=O)C(C)C)CC1,YFDVJQAXLGKEDA-UHFFFAOYSA-N
-rxn:4:174643:223536,COc1ccccc1C=C1Oc2cc(OS(=O)(=O)c3ccc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)ccc2C1=O,CTVCIGOVIOPHNX-UHFFFAOYSA-N
-rxn:4:174644:222537,COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)ccc3C2=O)cc1,DKOHYUNGRBMXHH-UHFFFAOYSA-N
-rxn:4:174647:223841,COC(=O)C1=C(C(=O)OC)C2(OC1c1ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc1)C(=O)c1ccccc1C2=O,ZUWWSOCDDTYMHR-UHFFFAOYSA-N
-rxn:4:174649:223730,COc1ccc(-c2ccc(COc3cc(C)ccc3C(C)C)cc2)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,CGKRYANIHVUIPD-UHFFFAOYSA-N
-rxn:4:174649:224271,COc1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,YOMFKNCCYCSAQG-UHFFFAOYSA-N
-rxn:4:174656:223738,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)c12)(C(C)C)C(C)C,JHFZBMPLHPHJPI-UHFFFAOYSA-N
-rxn:4:174657:223068,COc1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,WWZJKEYBTMHJLG-UHFFFAOYSA-N
-rxn:4:175200:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(OC(C)C)cc3OC(F)(F)F)cc2)CC1,QRHYVEHPBUZJDP-UHFFFAOYSA-N
-rxn:4:175349:222543,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,CNAWJKALLHQMSF-UHFFFAOYSA-N
-rxn:4:175353:223828,CCN1CCN(c2cc(-c3ccc(OC(C)C)c(F)c3C(=O)OC)cc(C(F)(F)F)c2)CC1,DIASCSPTDPPPNU-UHFFFAOYSA-N
-rxn:4:175702:223888,COC(=O)C(C)(C)c1ccc(OC)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2,YBHJNUHGCSAQJE-UHFFFAOYSA-N
-rxn:4:175816:224326,COC(=O)c1cc(OC2CCCC2)cc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)c1,CDEWUGJJTDJFQN-UHFFFAOYSA-N
-rxn:4:175988:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2c(OCC3CCCCC3)cccc2C(F)F)CC1,LZGBVWAMBCCFOG-UHFFFAOYSA-N
-rxn:4:176018:224667,COc1cc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)c(F)cc1OCC1CCCCC1,HNVIVZDFJHNLMS-UHFFFAOYSA-N
-rxn:4:176050:225000,COc1cc(C2OCCCO2)c(-c2ccc(CN3CCCCC3)c(F)c2)c(OC)c1OC,JWYMYTADOVGHKV-UHFFFAOYSA-N
-rxn:4:176106:223786,CN1CCN(CCCOc2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c3F)cc2Cl)CC1,RXJICKKJPSXHFD-UHFFFAOYSA-N
-rxn:4:176141:223934,CC(C)(C)OC(=O)n1c(-c2ccc(C(C)(F)F)c(OCC3CCCCC3)c2)cc2ccc(F)cc21,ZZWOYTPZFISYDG-UHFFFAOYSA-N
-rxn:4:176237:223530,CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc1)C2=O,KPEHMYICXSTWQN-UHFFFAOYSA-N
-rxn:4:176322:224895,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(-c3ccc(OC)cc3)cc2)C(C)(C)CC1(CC)CC,VGQXDLGTAYRWEB-UHFFFAOYSA-N
-rxn:4:176699:223660,COC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c(C(F)(F)F)c1,BRNMWARBZNJTFL-UHFFFAOYSA-N
-rxn:4:176940:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(OC(F)(F)F)cc(S(C)(=O)=O)c3)cc2)CC1,FRECOCUMTPYTPO-UHFFFAOYSA-N
-rxn:4:177767:223885,COC(=O)C1(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC(=O)C1,DBKZKWSLPLSCMH-UHFFFAOYSA-N
-rxn:4:178265:223712,COC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C2CCOCC2)c1,SEEJBIVDLAOXFU-UHFFFAOYSA-N
-rxn:4:178286:223755,Cc1cc(OCC2CCOCC2)cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c1,MDYKPSPZCGDZSQ-UHFFFAOYSA-N
-rxn:4:178295:223553,COC(=O)C1(c2cc(Cl)ccc2-c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc2)CCC(=O)CC1,AFDYZFZFOWEJNE-UHFFFAOYSA-N
-rxn:4:178353:222466,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2C)ccc1Cl,OTJSMXBTLVAUBD-UHFFFAOYSA-N
-rxn:4:178384:224707,COC(=O)c1cc(Cl)cc2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cnc12,ASUWUYFINVWZIW-UHFFFAOYSA-N
-rxn:4:178384:225511,COc1cc(C)c2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)ccc2n1,DUUBLMGBGOGLAB-UHFFFAOYSA-N
-rxn:4:178384:228832,Cc1cc(F)c(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,FUNWRSCUHSVDBB-UHFFFAOYSA-N
-rxn:4:178384:228909,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)cn1,WVZGRZZTZATYBB-UHFFFAOYSA-N
-rxn:4:178589:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OS(=O)(=O)C(F)(F)F)c4c3oc3ccccc34)c(F)c2)CC1,MZXJCNHKYDQLBC-UHFFFAOYSA-N
-rxn:4:178594:223136,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccncc1C1CCCNC1,YOXQMTWDGAKEHD-UHFFFAOYSA-N
-rxn:4:178594:226125,COCc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc(C2CC2)c1,UJFOMNHGFNULFU-UHFFFAOYSA-N
-rxn:4:178597:225471,Cc1nc(-c2ccccc2)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,CGCZUWQFOKUHHQ-UHFFFAOYSA-N
-rxn:4:178597:227101,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)cc1C1CC1,AEVNUDRHUQZXCO-UHFFFAOYSA-N
-rxn:4:179471:223507,COC(=O)c1ccc(C)c(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1F,IVKMXJRMJWLDAF-UHFFFAOYSA-N
-rxn:4:179715:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(OC4CCC4)ccc3F)c2)CC1,XPUUEIIPXGWSNF-UHFFFAOYSA-N
-rxn:4:180052:223492,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XNGUMRDSVVZFIU-UHFFFAOYSA-N
-rxn:4:180208:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(OC4CCCCO4)c(F)c3)cc2)C1,WCVWDUPQCWQIPE-UHFFFAOYSA-N
-rxn:4:180290:223814,COc1c(C)cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C1OCCO1,KLHSURDYXUQMQO-UHFFFAOYSA-N
-rxn:4:180372:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C4CCOCC4)c(C(F)(F)F)c3)cc2C1,WDULNSICTFBIAO-UHFFFAOYSA-N
-rxn:4:180683:224321,COC(=O)C1(F)Cc2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cc2C(=O)O1,BTCYVNGIXXTIIF-UHFFFAOYSA-N
-rxn:4:180755:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc4oc(=O)c(S(=O)(=O)c5ccc(F)cc5)cc4c3)c(F)c2)CC1,PLNXEVBJFHBLOO-UHFFFAOYSA-N
-rxn:4:180772:223582,CCC1(CC)CCc2cc(-c3cc4ccc(C(=O)OC)cc4n3C(=O)OC(C)(C)C)ccc2C1=O,HLRWTXNFRWRAIR-UHFFFAOYSA-N
-rxn:4:180815:222947,COc1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)cc1C12CC3CC(CC(C3)C1)C2,KCIYHUKSPXANDC-UHFFFAOYSA-N
-rxn:4:180815:224251,COc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,FGISYNMHAUAYCV-UHFFFAOYSA-N
-rxn:4:180815:224257,COc1ccc(-c2cc(C(=O)N3CCCCC3C)ccc2Cl)cc1C12CC3CC(CC(C3)C1)C2,USUXBXVOEIDEJG-UHFFFAOYSA-N
-rxn:4:180855:223954,CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)cc31)c1cc(C(C)(C)C)ccc1-2,MGYACRRQOTUVCZ-UHFFFAOYSA-N
-rxn:4:182359:224286,COC1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cc1C2=O,NJCQVULHXSAAPC-UHFFFAOYSA-N
-rxn:4:182359:224552,COC1CCC2(CC1)Oc1ccc(-c3cc(F)cc(COC4CCCCC4)c3)cc1C2=O,CGOBFCZTWTZGME-UHFFFAOYSA-N
-rxn:4:182371:222543,CC(C)c1cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cc2c1OC(C)(C)CC2,YCRBFDJKKMAIMI-UHFFFAOYSA-N
-rxn:4:182372:224250,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(C(=O)N4CCCCC4C)ccc3F)cc1C2=O,XRDPRIXMHRLDRU-YEJUVFKVSA-N
-rxn:4:183131:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CC(C)(C)O4)c(F)c2)CC1,POGJYVXMZNIPGU-UHFFFAOYSA-N
-rxn:4:183227:223539,COc1ccc(-c2cc(Cl)c3c(c2)C(C)(C)CCO3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,VFTLMPRLUFRXIG-UHFFFAOYSA-N
-rxn:4:183271:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,OONPGBXYONZMBX-UHFFFAOYSA-N
-rxn:4:183273:225716,COCCOCc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FRRWCJMZKGOHKU-UHFFFAOYSA-N
-rxn:4:183274:225912,CCCOc1c(F)cc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,FMNPHEUIDSUVNM-UHFFFAOYSA-N
-rxn:4:183274:228267,COc1c(C)ccc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,FRPWLPMNVCROPI-UHFFFAOYSA-N
-rxn:4:183379:224552,CC1(C)C=Cc2c3c(cc(-c4cc(F)cc(COC5CCCCC5)c4)c2O1)C(=O)OC(C)(C)O3,KMECEQGXXKUORA-UHFFFAOYSA-N
-rxn:4:183379:225200,CC1(C)C=Cc2c3c(cc(-c4ccc(F)c(OC5CCCC5)c4F)c2O1)C(=O)OC(C)(C)O3,IREQTEQEUUANGP-UHFFFAOYSA-N
-rxn:4:183669:222759,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cc(C)cc(NC(=O)OC(C)(C)C)c3)o2)C1,UKJZPOYDWSIDTA-UHFFFAOYSA-N
-rxn:4:183693:223754,COC(=O)C1CN(Cc2cc(-c3ccc(OCCCN4CCC(C)CC4)c(Cl)c3)ccc2OC(F)(F)F)C1,CUQCIHITMUMISS-UHFFFAOYSA-N
-rxn:4:183743:224714,CCCCOc1cc(-c2ccc(OCCCC)c(C(F)(F)F)c2)ccc1C(=O)N1CCC1,XHKDCJBYZKDNBY-UHFFFAOYSA-N
-rxn:4:183803:226006,Fc1cc(OCC(F)(F)F)cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)c1,IKRZHSFXCYOGQQ-UHFFFAOYSA-N
-rxn:4:183834:226093,CC(C)CCSc1ccc(-c2ccccc2S(=O)(=O)N(C(=O)OC(C)(C)C)C2CC2)cc1,PMWZHOHZVKVURT-UHFFFAOYSA-N
-rxn:4:183862:223651,COC(=O)CN1CCC(COc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cc2)CC1,PQFDHTFSXZTOBO-UHFFFAOYSA-N
-rxn:4:183910:224187,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2ccc(OCCN3CCCCC3)cc2F)c1,VBMGVLMXFOCQEJ-UHFFFAOYSA-N
-rxn:4:183922:222898,COC(=O)CNC(=O)c1ccc(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(C)cc3)ccc2OC(C)=O)cc1,LECIYLQQNRWPOK-UHFFFAOYSA-N
-rxn:4:183928:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cc1,XZTMXCYAHYRSLZ-UHFFFAOYSA-N
-rxn:4:183960:222502,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(CNC(=O)c2cc(F)ccc2F)cc1,NLTVTBIAARAWQS-UHFFFAOYSA-N
-rxn:4:183996:222963,CCCNC(=O)Cc1ccc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CCCC3)c2)cc1,RCNNKEZQNMSVAH-UHFFFAOYSA-N
-rxn:4:184004:223840,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(OC)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)SC2=S)cc1OC,NPYHUWQHMVLUSE-UHFFFAOYSA-N
-rxn:4:184016:224187,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2ccc(OCCN3CCCCC3)cc2F)CC1,JMBGATYZBXZWGX-UHFFFAOYSA-N
-rxn:4:184021:222850,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cc(C2CCNCC2)ccc1C#N)C1CCOCC1,CASLGKSILPGRFJ-UHFFFAOYSA-N
-rxn:4:184072:223279,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,BZLAMIDFBFDCSB-UHFFFAOYSA-N
-rxn:4:184096:226463,CC(=O)n1ncc2c(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cccc21,FASGHZURFGEKNH-UHFFFAOYSA-N
-rxn:4:184182:224233,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1cc(F)ccc1OCc1ccccc1Cl,AAAJRENFNJMQEM-UHFFFAOYSA-N
-rxn:4:184189:226086,CCCCCOc1cccc(-c2ccc3c(CC(=O)N4CCC(C(=O)OC)CC4)c(OC)ccc3c2)c1,QBFIFMOJUSHSDD-UHFFFAOYSA-N
-rxn:4:184237:222775,CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(-c2ccc(CN3CCC(O)CC3)c(F)c2)cc1,JCSNWXZOXIKCAF-UHFFFAOYSA-N
-rxn:4:184313:224278,CC(C)(C)OC(=O)n1ccc2cc(-c3ccc([N+](=O)[O-])c(OC(C(F)(F)F)C(F)(F)F)c3)cnc21,PGFDYMCHTOQLRH-UHFFFAOYSA-N
-rxn:4:184396:224290,COC(=O)Cc1cc(C#N)c(C(F)F)c(-c2ccc(Cl)cc2OCCN2CCOCC2)c1,XDZWVXBBNYVRAG-UHFFFAOYSA-N
-rxn:4:184453:224678,COC(=O)Cc1ccc(C#N)c(-c2ccc(F)c(C(=O)N3CCCCC3)c2)c1C(F)(F)F,NZBVEOCELPNKAN-UHFFFAOYSA-N
-rxn:4:184553:223568,COC(=O)C(C(=O)OC)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cn1,FJPCPKJGYWAGRS-UHFFFAOYSA-N
-rxn:4:184855:223844,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)ccc1OCCCN(C)C,RUNUGGWPJCOYGB-UHFFFAOYSA-N
-rxn:4:184882:224194,CCN1CCN(Cc2ccc(-c3ccc(CC(=O)N4CCCC4)c(OC(F)(F)F)c3)cc2Cl)CC1,LGEDHCKEWHBZPU-UHFFFAOYSA-N
-rxn:4:184890:222881,COC(=O)C1CN(Cc2cc(-c3ccc(C(=O)NC(C)(C)C)cc3F)ccc2C(F)(F)F)C1,QQFAHYBSRBGXQJ-UHFFFAOYSA-N
-rxn:4:184942:222639,CCN(CC)C(=O)C1(c2cccc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c2)CC1,NJAJMKXHMRNSNZ-IBGZPJMESA-N
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-rxn:4:185002:224493,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)cc1,XGMJOKBCPBSZNZ-UHFFFAOYSA-N
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-rxn:4:187267:222621,COc1c(Cl)cc(C(=O)N2CCC(C(F)(F)F)CC2)cc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,OYCNDXJQUFBHBO-UHFFFAOYSA-N
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-rxn:4:187363:222519,COc1ccc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)c(CN(C)C2CCOCC2)c1,KTNZQELFOLRCIV-UHFFFAOYSA-N
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-rxn:4:187483:222405,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)c(OC)c1,CIZKALGNIFKYAA-UHFFFAOYSA-N
-rxn:4:187494:224960,COc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2)cc1OC1CCCC1,TXVRDGRMJOCCNN-UHFFFAOYSA-N
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-rxn:4:187571:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,BWRFYWXOKGIIPA-UHFFFAOYSA-N
-rxn:4:187581:224254,CC1CCCN(C(=O)c2cc(-c3coc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)ccc2F)C1,FJKVGJCJPULPPK-UHFFFAOYSA-N
-rxn:4:187593:224563,Cc1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(F)c2)c(O[Si](C)(C)C(C)(C)C)c1,DCTJZLFPZLBAMM-UHFFFAOYSA-N
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-rxn:4:187657:225763,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1cc(C(=O)OC)c(OC)cc1C,QZVHXJLUYFVAJF-UHFFFAOYSA-N
-rxn:4:187689:224754,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)cc1F,UAMPKSDLUIGRAF-UHFFFAOYSA-N
-rxn:4:187693:226113,CC(C)CC(=O)c1ccc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)c(F)c2)cc1,SQZKFBORCWYOQA-UHFFFAOYSA-N
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-rxn:4:187822:222906,CC(C)(C)OC(=O)CN1Cc2cc(-c3cnccc3NC(=O)OC(C)(C)C)ccc2C1=O,XTQFPDGEXJFVAD-UHFFFAOYSA-N
-rxn:4:187863:222866,COC1c2ccc(-c3cccc(NC(=O)OC(C)(C)C)c3)cc2CN1C(=O)OC(C)(C)C,KHDJUKPDKSGSQN-UHFFFAOYSA-N
-rxn:4:187876:224329,COc1cc2c(cc1-c1ccc(C(=O)N3CCC(=O)CC3)c(F)c1)CC(Cc1ncccc1C(F)(F)F)C2=O,NVEACJMUWRDMJF-UHFFFAOYSA-N
-rxn:4:187916:225456,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C2CCN(C)CC2)cc1,CNQFDSIUWSPXMQ-UHFFFAOYSA-N
-rxn:4:187916:226183,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cnccc1C1CCCCC1,NQGHRDSONYQWCP-UHFFFAOYSA-N
-rxn:4:187933:224059,COc1c(-c2c(OCC(=O)N3CCC(C)CC3)ccc3ccccc23)cc(C(C)(C)C)cc1C(C)(C)C,VRRBHNUZWHVRDY-UHFFFAOYSA-N
-rxn:4:187961:222933,COC(=O)Cc1cc2c(n1-c1ccc(-c3cnc(NC(=O)OC(C)(C)C)nc3)cc1)CC(C)(C)CC2=O,QHAUYYKCBCCJRM-UHFFFAOYSA-N
-rxn:4:187961:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(-n4c(CC(=O)OC)cc5c4CC(C)(C)CC5=O)cc3)c(F)c2)CC1,DMCZCMUEBJGIRH-YHBQERECSA-N
-rxn:4:188317:223533,COC(=O)Cc1nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)sc1C,CLNRYORUDGEZQR-UHFFFAOYSA-N
-rxn:4:188928:223536,COc1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=N)(=O)C(F)(F)F,XARQJJDITOTTHE-UHFFFAOYSA-N
-rxn:4:188992:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(OC4CCC4)c(C#N)c3)cc2)CC1,AULLVHHZRLSYOH-UHFFFAOYSA-N
-rxn:4:189389:222604,COc1ccc(-c2ccc(C(=O)ON=C3C=CC(=O)C=C3)cc2)cc1S(=O)(=O)NC1CCCC1,WPOBJDAHPINFIO-UHFFFAOYSA-N
-rxn:4:189604:224306,Cc1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1,JQAIVNXTIXUWJL-UHFFFAOYSA-N
-rxn:4:189737:222614,O=C(Cc1ccc(F)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F)N1CCC(F)(F)C1,MGYSFNXUPYKYNN-UHFFFAOYSA-N
-rxn:4:189938:222718,COC1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)C1,AICGXSLQMVHQOH-UHFFFAOYSA-N
-rxn:4:189991:223683,Cc1cc(CC(=O)N2CCCC2)ccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,TVUQAHCHFHTQJN-UHFFFAOYSA-N
-rxn:4:190015:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,DZDMNRVTDAVXAE-UHFFFAOYSA-N
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-rxn:4:190055:225172,O=C(Cc1cc(F)ccc1-c1cc(CN2CCOCC2)ccc1F)N1CCC(F)(F)CC1,VOSBPUMFXPCPCZ-UHFFFAOYSA-N
-rxn:4:190084:224247,CC1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3C(=O)N3CCCC(F)(F)C3)c(F)c2)CC1,QLSKEUXKQWFCOR-UHFFFAOYSA-N
-rxn:4:190137:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2ccc(CCN3CCC(F)(F)CC3)cc2F)c1,XIIWDPRVFCCCST-UHFFFAOYSA-N
-rxn:4:190169:224950,COc1ccc(-c2ccc(C(F)(F)F)cc2CN2CCCC(F)(F)C2)c(CN2CCCC2)c1,FOSKINYTGLVCIQ-UHFFFAOYSA-N
-rxn:4:190181:222466,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1CN1CCCCC1,GZAYMOZUFARXTM-UHFFFAOYSA-N
-rxn:4:190230:223500,CC1CCN(c2cc(OC(F)(F)F)cc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,VJMHZEPBWLIIGG-UHFFFAOYSA-N
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-rxn:4:190360:224280,COCc1cc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccc1N1CCCCC1C,WJLLALMDHOWRTO-UHFFFAOYSA-N
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-rxn:4:190394:224270,CC(C)C(=O)C1CCCN(c2cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)ccc2F)C1=O,NVSZJTCXGLNLTD-UHFFFAOYSA-N
-rxn:4:190448:224818,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,ZUJQTGRBQXUJRT-UHFFFAOYSA-N
-rxn:4:190451:227710,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(OS(C)(=O)=O)cc1,KCHPMGBQFDJUMH-UHFFFAOYSA-N
-rxn:4:190452:225198,COc1ccc(-c2c(F)cccc2OC2CCCCO2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,QLYNTKYCENPJPX-UHFFFAOYSA-N
-rxn:4:190493:222730,CCCc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCNCC2)n1,RNSONYIRBQIRNG-UHFFFAOYSA-N
-rxn:4:190668:223712,CCOC(=O)C1Cc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cnc2C1,KTGAEXBPCTVSHE-UHFFFAOYSA-N
-rxn:4:190828:223836,COc1ncnc2c1cc(-c1ccc3c(c1)N(C(=O)OC(C)(C)C)C(=O)C3)n2C(=O)OC(C)(C)C,GDDLSSMIRBSVTI-UHFFFAOYSA-N
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-rxn:4:190905:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)cc1,IGAPLPWIBAIQOP-UHFFFAOYSA-N
-rxn:4:190929:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2=O,RCZKKPCRNUSXMO-UHFFFAOYSA-N
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-rxn:4:206970:223777,CC1CCN(c2cc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)c(F)cc2[N+](=O)[O-])CC1,VOESPPHYUZCSCM-UHFFFAOYSA-N
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-rxn:4:212580:222442,O=S(=O)(NC1CCCC1)c1ccc(-c2cnn(CC3CN(S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)C3)c2)c2ccccc12,IMSWGPAXJGBSIY-UHFFFAOYSA-N
-rxn:4:212586:222702,COc1cccc(C(=O)N2CC(Cn3cc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cn3)C2)c1OC,AMBGZQBVWKKGJB-UHFFFAOYSA-N
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-rxn:4:212831:227413,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cnc(C4CCC4)cc3F)cc2C1c1ccccc1,BDQPRBFWHZYBMH-UHFFFAOYSA-N
-rxn:4:212908:222723,CCOC(=O)N1CCCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,NDOBRIYCUICGRH-UHFFFAOYSA-N
-rxn:4:212917:224325,COC(=O)CN1CCC(Cn2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,BRISCGRTQIBHKX-UHFFFAOYSA-N
-rxn:4:212920:222582,COCCN1CCC(Oc2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)CC1,QUTSNLXYFAVBED-UHFFFAOYSA-N
-rxn:4:212923:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)c(C)c1,IEQPWRZWGXGUCG-UHFFFAOYSA-N
-rxn:4:212923:225911,COC(=O)c1cc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)c(Cl)cc1OC,KXZDQMWXVPVEGJ-UHFFFAOYSA-N
-rxn:4:212935:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cc(C(F)(F)F)cnc2N2CC(COc3cccnc3)C2)c1,OFWASQYEBZDKKE-UHFFFAOYSA-N
-rxn:4:212944:226512,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccncc2OCC2CCO2)CC1,QAQNHINBRNAAAG-UHFFFAOYSA-N
-rxn:4:212967:225080,COC(=O)C1CCc2cc(-c3cnc(OCC4CCN(C(=O)C5CC5)CC4)nc3)ccc2O1,YRFSKVUOIZYNAG-UHFFFAOYSA-N
-rxn:4:212990:222582,Cc1cccc(CC(=O)N2CC(Cn3cc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cn3)C2)c1,MHDILGSRNQFGRH-UHFFFAOYSA-N
-rxn:4:212991:223075,O=S(=O)(Nc1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)C1CC1,FUSUDAXVYKYYDG-UHFFFAOYSA-N
-rxn:4:213006:224718,COc1ccc(-c2ccc(OCCN3CCOCC3)nc2)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,YZDASZMULVTPLI-UHFFFAOYSA-N
-rxn:4:213024:223597,N#Cc1ccnc(OC2CCCN(C(=O)c3ccccc3-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)C2)c1,NDIHIZWVYNHRNG-UHFFFAOYSA-N
-rxn:4:213037:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(OC2CCN(CCC(C)C)CC2)nc1,IRQSEVPKSAIUNJ-UHFFFAOYSA-N
-rxn:4:213038:226270,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(C=C(C#N)C#N)c3)c[nH]2)CC1,ATYQDWUJWPOSFQ-UHFFFAOYSA-N
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-rxn:4:213093:222398,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)ccc1NC(=O)NC1CC1,GQDYQULFQBJNHG-UHFFFAOYSA-N
-rxn:4:213104:226123,COCc1ccc(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1C1CC1,NAJXIDONSGOAPU-UHFFFAOYSA-N
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-rxn:4:213131:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c1,YLFUQQMIPKSJMV-UHFFFAOYSA-N
-rxn:4:213131:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,BHLXYSUDVBWTGQ-UHFFFAOYSA-N
-rxn:4:213132:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,UIFOFQMEGKULPS-UHFFFAOYSA-N
-rxn:4:213136:226764,COC(=O)c1c(F)ccc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)c1F,ZZMIKQXODYARPM-UHFFFAOYSA-N
-rxn:4:213139:223184,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2[N+](=O)[O-])CC1,RLQGZZPOOGHXSA-UHFFFAOYSA-N
-rxn:4:213143:224186,COc1ccc(OCc2ccc(-c3ccc([N+](=O)[O-])c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)cc1,TXXYFEIHNXORHE-UHFFFAOYSA-N
-rxn:4:213163:222723,O=C(C1CCCC1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,QTMLIMHQRGCJBL-UHFFFAOYSA-N
-rxn:4:213170:224819,O=S(=O)(c1ccc(-c2cccc(S(=O)(=O)N3CCN(CCc4ccccn4)CC3)c2)cc1)N1CCOCC1,JHFORJYGRDNJQZ-UHFFFAOYSA-N
-rxn:4:213174:223562,Cc1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(CC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)nn1,YRKTYCUALBCQAG-UHFFFAOYSA-N
-rxn:4:213185:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(=O)N2CCN(Cc3nc(-c4ccccc4)cs3)CC2)o1,RFZDDWLFEUNYOT-UHFFFAOYSA-N
-rxn:4:213192:222555,COc1ccc(NC(=O)c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)=O)CC4)n3)cc2)cc1,VAAWFHNGLMWBCT-UHFFFAOYSA-N
-rxn:4:213192:227212,CCCCOc1ncccc1-c1cc(C(=O)OC(C)(C)C)cc(N2CCN(C(C)=O)CC2)n1,PLPQSNVEGAFEFR-UHFFFAOYSA-N
-rxn:4:213196:223074,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)C4CC4)c3)cn2)C1,PYBFKJFBIVPSAW-UHFFFAOYSA-N
-rxn:4:213196:223741,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3cc(CN4CCCc5ccccc54)ccc3F)cn2)C1,RGWVAWLTVMIKCG-UHFFFAOYSA-N
-rxn:4:213202:224254,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)CC2)nn1,AIXGASNVVFBQRI-UHFFFAOYSA-N
-rxn:4:213205:222863,CCCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCC(COc4ncc(C)cn4)C3)cc2)ccc1Cl,FIDVQLAGVRHGLF-UHFFFAOYSA-N
-rxn:4:213229:223586,COc1ccc(COc2cc(-c3cc(F)c([N+](=O)[O-])c(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc(C(F)(F)F)c2)cc1,BBJYIHRZWBHALK-UHFFFAOYSA-N
-rxn:4:213259:223286,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(NS(C)(=O)=O)c3)nc2)CC1(C)C,DNSHXWHMPIVAON-UHFFFAOYSA-N
-rxn:4:213261:224443,Cc1cc(OCc2ccccc2)ccc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c(N2CCOCC2)c1,XNDMVPSRCGOXAF-UHFFFAOYSA-N
-rxn:4:213265:223695,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,ZNSNNLZDIHJFKK-UHFFFAOYSA-N
-rxn:4:213265:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,MKBUZHNQUUDWOV-UHFFFAOYSA-N
-rxn:4:213268:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(-c2c[nH]c([C@@H]3C[C@H](C)CN3C(=O)OC(C)(C)C)n2)cc1,IKBCUVQNKLAKGD-IADCTJSHSA-N
-rxn:4:213269:224659,COc1ccc(-c2cccc(C(=O)N3CCN(C)CC3)c2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,DACORNHBRRKEQP-UHFFFAOYSA-N
-rxn:4:213272:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)nc2)ccc1F,RPMBCJDYWJNZFU-UHFFFAOYSA-N
-rxn:4:213275:224497,CCN1CCN(Cc2ccc(-c3ccccc3-c3noc(C4CCN(S(=O)(=O)c5ccc(OC)cc5)CC4)n3)cc2)CC1,ATJZLMJVRORZRU-UHFFFAOYSA-N
-rxn:4:213289:224135,COC(=O)c1ccc(-c2ccc(-c3cnc(C(C)(C)C)nc3C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,XUPVFFWRMJZDCN-UHFFFAOYSA-N
-rxn:4:213387:224646,CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(-c4ccc(OC5CCOCC5)c(C#N)c4)ccc32)CC1,LWLYALAWFBESCU-UHFFFAOYSA-N
-rxn:4:213441:226236,CCCCOc1ncc(C)cc1-c1ccc2c(ccn2CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c1,PRQQTCPQARIXQZ-UHFFFAOYSA-N
-rxn:4:213470:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2cccc(CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CCN(C(C)=O)C5)c2)c1,GFWZLLCTNBYCTA-UHFFFAOYSA-N
-rxn:4:213474:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)c2)C1,REJCOKLDBOAWGV-IYXVLPAFSA-N
-rxn:4:213480:222997,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)cc4C4CCCNC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YMMFHMXRILBWRL-BVILEHTCSA-N
-rxn:4:213480:224591,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(CN5CCC(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DCBZEHBHCKTPLK-NHZPJIEJSA-N
-rxn:4:213480:224971,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCN(C)CC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,VFCGOJDRFZQJCW-WOMUVBKMSA-N
-rxn:4:213629:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccnn2C2CN(C(=O)OC(C)(C)C)C2)c(F)c1,RNQWVPBDRVPZDC-UHFFFAOYSA-N
-rxn:4:213632:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)c1,HORSFGQZQYOMDD-INIZCTEOSA-N
-rxn:4:213720:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)C2)cc1,FBLRCKCMUCAPEH-UHFFFAOYSA-N
-rxn:4:213764:223945,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,BLAUFZWNHYJQHX-UHFFFAOYSA-N
-rxn:4:213764:224132,CN(C(=O)c1ccccc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)C2)cn1)C1CCCCC1,KWDYRUROANFJPW-UHFFFAOYSA-N
-rxn:4:213782:223814,O=C(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)o1)N1CCN(Cc2ccncc2)CC1,LANIORIONJKQTO-UHFFFAOYSA-N
-rxn:4:213794:222929,OC1CCN(c2cc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)cnc2Cl)CC1,LMHHGHWQESOMFO-UHFFFAOYSA-N
-rxn:4:213794:225080,COC(=O)C1CCc2cc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)ccc2O1,LPIWBXWCZDMNJQ-UHFFFAOYSA-N
-rxn:4:213833:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,KAVXCSPUHIHFAN-UHFFFAOYSA-N
-rxn:4:213863:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1,ZIOJTSUERGULNA-UHFFFAOYSA-N
-rxn:4:213875:225980,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(N4CCOCC4)ncc3F)n2)CC1,GWFLXFUAWSWDSV-UHFFFAOYSA-N
-rxn:4:213877:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc1,VPCSLCQUNHLSSC-UHFFFAOYSA-N
-rxn:4:213886:225907,CCCc1ncc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C(F)(F)F,YQDCJIOYROJPTP-UHFFFAOYSA-N
-rxn:4:213948:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OC4CCN(CC5CCCC5)CC4)nc3)cn2)CC1,BHIMWQRBKTYJFZ-UHFFFAOYSA-N
-rxn:4:213960:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccnc3N3CCC(COc4ccncc4C)CC3)c2)CC1,DLPIQGDRHAXUPD-UHFFFAOYSA-N
-rxn:4:213971:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c2Cl)CC1,CEJMUJSFFUEIIQ-UHFFFAOYSA-N
-rxn:4:213971:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,DLRNLKHSBZIBQT-UHFFFAOYSA-N
-rxn:4:213981:224667,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)n1,HLRRBLWOLNYUJA-UHFFFAOYSA-N
-rxn:4:213989:225550,CCCCC(=O)c1ccc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)cc1F,PYUDCMXSWKKYOG-UHFFFAOYSA-N
-rxn:4:213992:225771,COc1ccc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)c(F)c1OC(C)C,RKJBERGWKNPPIW-UHFFFAOYSA-N
-rxn:4:213995:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc(N2CCN(C)CC2)nc1C(=O)OC(C)(C)C,MONIQCXPPRWMHT-UHFFFAOYSA-N
-rxn:4:214012:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c1,GUOAIYWLAACVOP-UHFFFAOYSA-N
-rxn:4:214027:229167,CN(C)c1nc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cs1,YQRUXYIBBFDIME-UHFFFAOYSA-N
-rxn:4:214029:222546,O=C(C1CCCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2C(F)(F)F)C1)N1CCSCC1,XDFISJSJKDHFRJ-UHFFFAOYSA-N
-rxn:4:214029:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)c1,ONZSKQQEENWGSL-UHFFFAOYSA-N
-rxn:4:214046:223181,CCNS(=O)(=O)c1cccc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)c1,QHMGHXHPRURZHX-ZWKOTPCHSA-N
-rxn:4:214054:228446,COc1cc(F)cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1Cl,CSEQBPSNLUXFKY-UHFFFAOYSA-N
-rxn:4:214056:222693,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)o3)S2)CC1,UCBGRXWICISXLW-UHFFFAOYSA-N
-rxn:4:214056:226959,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc5c(c4)CC(C)(C)O5)o3)S2)CC1,NBCYYQGFBWFJBD-UHFFFAOYSA-N
-rxn:4:214061:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc(C3=N[C@@H](c4ccccc4)CO3)nc(C3=N[C@@H](c4ccccc4)CO3)c2)c1,NLBPHIZEWVSAEB-BCNZOEIWSA-N
-rxn:4:214146:222655,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)C1,MYOSKOASDLJRGK-UHFFFAOYSA-N
-rxn:4:214181:222634,CCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3s2)CC1,YKVGGGRIXBEZKF-UHFFFAOYSA-N
-rxn:4:214181:223644,CCCC(=O)N1CCN(c2nc3ccc(-c4ccc(C(=O)N5CCCC(C(=O)OCC)C5)cc4)cc3s2)CC1,WMFVVVPZWFBBRQ-UHFFFAOYSA-N
-rxn:4:214189:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnn(CC2CN(Cc3cccc4ccccc34)C2)c1,OUONAHMCYLABQC-UHFFFAOYSA-N
-rxn:4:214255:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncnc(Cl)c34)cc2C)cc1,OAZVPUMBTNOPMB-UHFFFAOYSA-N
-rxn:4:214281:224017,O=C(Cn1ccc2cc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)ccc21)N1CCN(c2ccccc2)CC1,QLHDZQYRGRFWJB-UHFFFAOYSA-N
-rxn:4:214324:223581,COC(=O)c1cccc2cc(-c3ccc(N4CC(c5nc6ccccc6n5CC(C)C)CC4=O)cc3)n(C(=O)OC(C)(C)C)c12,VFWOMBSVDBPQRP-UHFFFAOYSA-N
-rxn:4:214353:225322,Cn1nc(C(F)(F)F)c2c(-c3cn([C@H]4CC[C@H](O[Si](C)(C)C(C)(C)C)CC4)c4nc(Cl)ncc34)cccc21,NZCLTBLMDQCVOM-QAQDUYKDSA-N
-rxn:4:214379:227941,COCc1cc(C)cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)c1,PIQMZCQYCUOTED-UHFFFAOYSA-N
-rxn:4:214379:229129,Cc1cc(Cl)c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cn1,HYDSDHRUMQTDJE-UHFFFAOYSA-N
-rxn:4:214384:226373,Cc1ccn(-c2ccc(-c3cnc(OC4CCCN(C(=O)C56CC7CC(CC(C7)C5)C6)C4)nc3)cc2)n1,GZNAGFYFSQTVKC-UHFFFAOYSA-N
-rxn:4:214391:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,SFHKVZJIGTWJDD-UHFFFAOYSA-N
-rxn:4:214627:222826,N#Cc1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cnc1N1CCC(C(F)(F)F)CC1,NFXFHVNBPYSVQJ-UHFFFAOYSA-N
-rxn:4:214638:225294,CCN1CCN(c2ncc(-c3cnc(N4CCC(C(F)(F)F)CC4)c([N+](=O)[O-])c3)cn2)CC1,HKIMEZTYQHTMCL-UHFFFAOYSA-N
-rxn:4:214661:225773,CC(C)OC(=O)c1ccc(F)c(-c2c(C(=O)N3CCCC(C(F)(F)F)C3)cnn2C)c1,GBZHHFIUGNXSCQ-UHFFFAOYSA-N
-rxn:4:214709:224317,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3F)cn2)CC1,PSPUCNUJDFZPNV-UHFFFAOYSA-N
-rxn:4:214710:224666,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(F)c(CN4CCN(C)CC4)c3)c2)CC1,ZXDHAUVRKSOEGW-UHFFFAOYSA-N
-rxn:4:214710:224705,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCC(C)CC4)c(F)c3F)c2)CC1,ZKWLWLUVTWMJNO-UHFFFAOYSA-N
-rxn:4:214711:224668,CCN1CCN(c2cc(F)cc(-c3ccc(N4CCN(S(=O)(=O)CC)CC4)nc3)c2)CC1,BBMZUWWEWSNKQL-UHFFFAOYSA-N
-rxn:4:214718:225226,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3cc(N4CCC(C)CC4)ncc3F)c2)CC1,SXGSSKMPSOOHGW-UHFFFAOYSA-N
-rxn:4:214734:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1,YTPRUDMLCIXSMF-UHFFFAOYSA-N
-rxn:4:214734:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1,PCRYWXAZAIIIJQ-UHFFFAOYSA-N
-rxn:4:214734:225294,CCN1CCN(c2ncc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)cn2)CC1,FOGGMGIHNRUESZ-UHFFFAOYSA-N
-rxn:4:214735:225223,CC1CCN(c2cc(F)c(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(F)c3)cn2)CC1,JBULHOFKTHSTOM-UHFFFAOYSA-N
-rxn:4:214753:225294,CCN1CCN(c2ncc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)cn2)CC1,NTRWXCPXJJIZAB-UHFFFAOYSA-N
-rxn:4:214763:224325,CCCN1CCN(c2ncc(C)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,BHLPCZCIZCVYKA-UHFFFAOYSA-N
-rxn:4:214805:224655,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)c(F)c1,ULZBXORLVZIHPT-UHFFFAOYSA-N
-rxn:4:214826:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(C4CCN(C(=O)C(C)(C)C)CC4)cn3)ccc2Cl)CC1,MRRCBPPKJMTVTB-UHFFFAOYSA-N
-rxn:4:214837:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c2)CC1,YFNPIRJNEWETLQ-UHFFFAOYSA-N
-rxn:4:214838:227464,CCCCSc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cn1,QOFMYHUXYRXIFI-UHFFFAOYSA-N
-rxn:4:214872:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,UEQCBUKYVFGAIJ-UHFFFAOYSA-N
-rxn:4:214886:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,WZAVNBDWWSIQTD-UHFFFAOYSA-N
-rxn:4:215064:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1nc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2,XKHQEMJFRZPGRK-UHFFFAOYSA-N
-rxn:4:215148:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,LKJIWSACLMKLGW-UHFFFAOYSA-N
-rxn:4:215153:222514,COc1ccc(-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)cc1S(=O)(=O)NC1CCCCC1,CIAISJWVQJHGIK-UHFFFAOYSA-N
-rxn:4:215166:222695,Cc1ccc(-c2ccccc2C(=O)N2C3CCC2CC(n2cccn2)C3)cc1S(=O)(=O)NC1CCCC1,FKSNEABCXRAFNH-UHFFFAOYSA-N
-rxn:4:215170:223263,CNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,ZXRHSTQUGWGRMP-UHFFFAOYSA-N
-rxn:4:215299:224526,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(COc5ccccc5Cl)cc4)ccc2OC32CCN(C(C)=O)CC2)cc1,BBTZTUCNUQDQRQ-UHFFFAOYSA-N
-rxn:4:215592:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(N3CC(C(F)F)C3)nc2)cc1,YYSFUXKDNMIXRT-UHFFFAOYSA-N
-rxn:4:215800:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(N2CCC(C(F)(F)F)CC2)n1,KJJDFYZQNITXPT-UHFFFAOYSA-N
-rxn:4:215800:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cncc(N2CCC(C(F)(F)F)CC2)n1,UTSVCHZKEIHHHC-UHFFFAOYSA-N
-rxn:4:215802:224323,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,SVYVDGVSSPRBIO-UHFFFAOYSA-N
-rxn:4:215829:224325,Cn1ncc(C(=O)N2CCCC(F)(F)C2)c1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,YEUDXVHBBZCJCY-UHFFFAOYSA-N
-rxn:4:215865:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)c2)CC1,BHWBCYUXPVHMIM-UHFFFAOYSA-N
-rxn:4:215883:222466,CCN1CCN(c2ncccc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)CC1,QNGQPKYPEVITHQ-UHFFFAOYSA-N
-rxn:4:215912:224155,CN1CCN(c2cc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc(C3CC3)c2)CC1,BVHGBQBSPDKGNW-UHFFFAOYSA-N
-rxn:4:215912:224317,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c(F)c2)CC1,HWIVGBQBTJRFCC-UHFFFAOYSA-N
-rxn:4:215912:224318,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2F)CC1,VFEUSXPLWZDZNN-UHFFFAOYSA-N
-rxn:4:215914:224818,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1,IUYRLEUVPJSCGZ-UHFFFAOYSA-N
-rxn:4:215941:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccncc1N1CCC(N(C)C)CC1,QTGTUFMOZDSQOX-UHFFFAOYSA-N
-rxn:4:215956:223992,Cc1ccc(-c2cncc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,MAYPIAFHHRPXQE-UHFFFAOYSA-N
-rxn:4:215965:224022,CC1CCN(c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc(C3CC3)n2)CC1,SBYNKVOYMODIBX-UHFFFAOYSA-N
-rxn:4:215969:224586,CC1CCN(Cc2ccc(F)cc2-c2cc(Cl)cnc2N2CCN(C3CCC3)CC2)CC1,GVIQFLPVQWZHBT-UHFFFAOYSA-N
-rxn:4:216018:223504,COC(=O)c1n[nH]c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cnc12,BARMVEQJMXSOPG-UHFFFAOYSA-N
-rxn:4:216159:222588,N#Cc1c(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)nc2c(c1C#N)CCCCCC2,XOAQOKZWPGTBIC-UHFFFAOYSA-N
-rxn:4:216319:224405,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)ccc3S2(=O)=O)n1,FRSGXUXQQVSAJQ-UHFFFAOYSA-N
-rxn:4:216319:225215,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccnc(N5CCC(C)CC5)c4Cl)ccc3S2(=O)=O)n1,RNYUYIQWOLCKSP-UHFFFAOYSA-N
-rxn:4:216319:225867,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(Cl)c(N5CCCCC5)c4)ccc3S2(=O)=O)n1,XYHJJLKSSWYONF-UHFFFAOYSA-N
-rxn:4:217088:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2c(Cl)ncnc2N2CCOCC2)CC1,WDJAUDSJGOUTAX-UHFFFAOYSA-N
-rxn:4:217157:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)C(=O)C4)nc3)c(F)cc2C)CC1,VOSQRNVPMNWPBM-UHFFFAOYSA-N
-rxn:4:217889:224669,CN1CCN(Cc2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c(F)c2)CC1,GKAOOBAOHDFJOQ-UHFFFAOYSA-N
-rxn:4:218600:223639,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)cn2)CC1,VTRATMRGAPFHFX-UHFFFAOYSA-N
-rxn:4:218666:222546,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)C2)nn1,AOJPSRGHRFLEDO-UHFFFAOYSA-N
-rxn:4:218681:225299,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cc(C)c(S(=O)(=O)N(C)C)c(C)c4)cn3)CC2)CC1,FYRZHBAFVVOXJO-UHFFFAOYSA-N
-rxn:4:218699:225889,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4ccnn4COCC[Si](C)(C)C)c3)ccc2C#N)CC1,YDYRDCXELQMPAI-UHFFFAOYSA-N
-rxn:4:218700:224702,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(F)c(OC5CCCC5)c(F)c4C)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,HLYXWIMXEPBQIK-UHFFFAOYSA-N
-rxn:4:218709:225898,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)n[nH]3)CC2)c1,GQFANGZEOVLGBI-UHFFFAOYSA-N
-rxn:4:218712:224511,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4ccc(OCc5ccccc5)cc4F)c3C)CC2)c(C)c1,BGZDNTDYRQISRG-UHFFFAOYSA-N
-rxn:4:218745:224497,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)cc2)CC1,AZZSPXCEAFTNSU-UHFFFAOYSA-N
-rxn:4:218786:225239,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccc(-c6ccccc6F)nc5F)cccc4c3C2)CC1,PAXQOWRFDDUBHJ-UHFFFAOYSA-N
-rxn:4:218808:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnn(CC2CN(Cc3ccc(C#N)cc3F)C2)c1,SYNYMHZZBOZQFN-UHFFFAOYSA-N
-rxn:4:218867:226175,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCC4)cc3C)c2)no1,CTTRUXGYPCKLJN-UHFFFAOYSA-N
-rxn:4:218868:224991,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CC4)nc(N4CCCC4)c3)cc2)no1,XARAQTHMHWSFDL-UHFFFAOYSA-N
-rxn:4:218886:224406,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cn2)C1,LXUFLVCDMLKATK-UHFFFAOYSA-N
-rxn:4:218898:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)c2)CC1,JJZPITJNFOKIGM-UHFFFAOYSA-N
-rxn:4:218899:225212,CN1CCN(c2cc(F)cc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c2)CC1,ZGOUVHOEKVGLTQ-UHFFFAOYSA-N
-rxn:4:218899:225228,CN1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(F)c2)CC1,WYGOOLSXVHJPBN-UHFFFAOYSA-N
-rxn:4:218899:225313,CN1CCN(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(F)n2)CC1,WKVYRNVAPLNHPR-UHFFFAOYSA-N
-rxn:4:218900:223960,CCN1CCN(C(=O)c2cc(-c3cnn(CC4CN(C(=O)c5cccc(N(C)C)c5)C4)c3)ccc2F)CC1,DTQCPFDCNSANJU-UHFFFAOYSA-N
-rxn:4:218944:228303,CCN(C)c1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,UWWLURWLFCGZQF-UHFFFAOYSA-N
-rxn:4:218944:228347,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC4)nc3)cc2[N+](=O)[O-])CC1,PPKAYWQQUKLAIW-UHFFFAOYSA-N
-rxn:4:218950:223095,CC(=O)Nc1cccc(-c2ccccc2CC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1[N+](=O)[O-],OCZHKVBYGMBEFV-UHFFFAOYSA-N
-rxn:4:218983:225899,COc1ccc(-c2cc(C)nn2C(=O)OC(C)(C)C)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,AWYONHWKRGHFCV-UHFFFAOYSA-N
-rxn:4:218998:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)cc21,ONQDPQPREUVQDN-UHFFFAOYSA-N
-rxn:4:219001:225967,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cnc(-n4ccnc4C)c(Cl)c3)C2)C(=O)C1=O,YCFXTOPBSQSQPP-UHFFFAOYSA-N
-rxn:4:219027:224061,CCCC1CCC(c2ccc(-c3cnn(C)c3C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)CC1,IAWFXVHRENQCHN-UHFFFAOYSA-N
-rxn:4:219043:227576,CCOc1c(Cl)cc(F)cc1-c1cn(C)nc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1,TYGFPPUMMHMYKT-UHFFFAOYSA-N
-rxn:4:219044:223497,CC(C)c1nccn1CC1CCN(C(=O)c2cncc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)CC1,ZXTFISYOSMHYEH-UHFFFAOYSA-N
-rxn:4:219044:224863,CC(C)c1nccn1CC1CCN(C(=O)c2cncc(-c3ccccc3CN(C(C)C)C(C)C)c2)CC1,DVFCXIBHKQOKGC-UHFFFAOYSA-N
-rxn:4:219045:222729,CCCc1cc(-c2ccccc2C(=O)N2CCN(CCn3nc(C)cc3C)CC2)cc(C2CCCNC2)n1,JRKISQXKQGEQKD-UHFFFAOYSA-N
-rxn:4:219046:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)CC1,MQGJTMYQOQOCOK-UHFFFAOYSA-N
-rxn:4:219053:223060,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)nc(C5CCNCC5)c4)c3)cn2)CC1,FNHVYTXVYABFEE-UHFFFAOYSA-N
-rxn:4:219064:223812,COc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)CC3)[nH]n2)cc1,YSNJATMNEQKBSO-UHFFFAOYSA-N
-rxn:4:219072:227441,O=C(Cc1nnc(-c2cccc(-c3cnc(C4CCC4)c(Cl)c3)c2)o1)N1CCN(C2CCCCC2)CC1,JIKSQIZZXMEBJV-UHFFFAOYSA-N
-rxn:4:219107:223568,CCC(=O)C1=C(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)N(C(=O)CC)n2c(C)nnc2S1,GOVRIJOOZKLMKB-UHFFFAOYSA-N
-rxn:4:219128:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,PAYTVTFONSHSCG-UHFFFAOYSA-N
-rxn:4:219175:223578,CN(C(=O)c1cc2nc(-c3ccc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)cc3)cc(C(F)(F)F)n2n1)C1CCCCC1,KGTBSFDGEWOAPB-UHFFFAOYSA-N
-rxn:4:219203:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(c3ccccn3)=N[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,OGXAPQIRVFPHDG-SBCJZHDBSA-N
-rxn:4:219242:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc1,PNPSVMRJWHGMEQ-OAHLLOKOSA-N
-rxn:4:219252:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CC(Cn5ccnn5)C4)c3)ccc2OC)CC1,MVKKXOMVDINEMK-UHFFFAOYSA-N
-rxn:4:219369:225735,CCOc1cc(-c2nnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2C)cc(Cl)c1OCC,SEZUOGIZXXFSBM-MRXNPFEDSA-N
-rxn:4:219385:222546,CCc1ncnc(N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)c1F,WUUQPCVZNRCPSO-UHFFFAOYSA-N
-rxn:4:219388:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,RCUSKCGPSZCXOH-UHFFFAOYSA-N
-rxn:4:219401:227449,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3ccc(C4CCOCC4)s3)s2)CC1,SVZKHLVIMZEMDS-UHFFFAOYSA-N
-rxn:4:219405:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,WEPPFURTJVNAFT-UHFFFAOYSA-N
-rxn:4:219410:222895,CCCCS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,HBEDGNOYVRQDQB-UHFFFAOYSA-N
-rxn:4:219434:222694,Cc1cnc(OC2CCN(C(=O)c3cncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)c3)CC2)nc1,IXUYVIKUFPHPAQ-UHFFFAOYSA-N
-rxn:4:219436:227499,CCN(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cnc1Cl,HOKSEBLPFMAYSZ-UHFFFAOYSA-N
-rxn:4:219436:228353,CN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cc1Cl,FNTAHHTYTAAHRH-UHFFFAOYSA-N
-rxn:4:219462:226222,CCCCCOc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)cn1,DXQPJFQJCZVPGA-UHFFFAOYSA-N
-rxn:4:219469:224270,CSc1ncc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,OLQAWMOFPAYOQM-UHFFFAOYSA-N
-rxn:4:219479:225664,O=C(c1cc(-c2ccc(N3CCCCC3)cc2Cl)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,BMTRHHQYTYVPGC-UHFFFAOYSA-N
-rxn:4:219516:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cnc(OC2CCN(CC3CC(=O)N(C)C3)CC2)nc1,PAABXHHLEYHGQS-UHFFFAOYSA-N
-rxn:4:219516:225654,CC1CCCN(c2ccc(-c3cnc(OC4CCN(CC5CC(=O)N(C)C5)CC4)nc3)cn2)C1,VASKEXNFEWKBKD-UHFFFAOYSA-N
-rxn:4:219535:225223,CC1CCN(c2cc(F)c(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)cn2)CC1,MVDPJFNJNLCSKY-UHFFFAOYSA-N
-rxn:4:219535:225227,CC1CCN(c2ncc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)cc2Cl)CC1,MEGFFBXKYRWLQA-UHFFFAOYSA-N
-rxn:4:219535:225313,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c(F)n2)CC1,PSIRXCKIMARRHX-UHFFFAOYSA-N
-rxn:4:219552:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,ZIIRTMNIQFILNS-UHFFFAOYSA-N
-rxn:4:219560:225636,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccnc(N4CCC(C)CC4)c3)CC2)cn1C,WNDNVYMAEMOKNM-UHFFFAOYSA-N
-rxn:4:219565:225666,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(F)cc(N5CCCCC5)c4)cc3)CC2)n1,NMWJKGGNBBJQPR-UHFFFAOYSA-N
-rxn:4:219565:225859,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)c(Cl)c4)cc3)CC2)n1,XYAGLPLMIWTYCH-UHFFFAOYSA-N
-rxn:4:219642:224409,N#Cc1cc2c(nc1N1CCC(Oc3ccncc3-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)C1)CCC2,FDKNFACYSSVXKZ-UHFFFAOYSA-N
-rxn:4:219653:223970,Cc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1S(=O)(=O)N1CCC(C)CC1,DUAUIFRIDVBBKK-UHFFFAOYSA-N
-rxn:4:219689:225882,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(Cl)c(C5CCOCC5)c4)n3c2)CC1,YCVGCTPZALPFCW-UHFFFAOYSA-N
-rxn:4:219707:223253,CCCCNc1ncc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)cn1,HIODDYDALQHDLI-UHFFFAOYSA-N
-rxn:4:219716:223815,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(Cl)c(CN6CCC7(CC6)OCCO7)c5)cc4)CC3C2)ncn1,NMXWIICUPJEDRK-UHFFFAOYSA-N
-rxn:4:219832:223918,COCn1nc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)nc1N1CCOCC1,MNANESYFZZPYQD-UHFFFAOYSA-N
-rxn:4:219854:224022,CC(=O)N(C)C1CCN(c2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cn2)C1,AUGCVWXNQYQTCZ-UHFFFAOYSA-N
-rxn:4:219880:224782,CSc1ncc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,WWJOKCBVGXGWEC-UHFFFAOYSA-N
-rxn:4:219937:222607,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)n3)C2)c1,JJBVSFIPHYGQDX-UHFFFAOYSA-N
-rxn:4:219959:223766,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2cc(C#N)ccc21,RPYPIGBQKYPCCD-UHFFFAOYSA-N
-rxn:4:219995:222537,c1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc(N2CCN(c3ccnc(C4CC4)n3)CC2)c1,WWZSJXDFNZYYPL-UHFFFAOYSA-N
-rxn:4:219996:223841,Cc1cc(F)c(-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,NDBYZPCMMBQNTI-UHFFFAOYSA-N
-rxn:4:219996:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)cc2)CC1,LESBXIBPLFLFPI-UHFFFAOYSA-N
-rxn:4:219996:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCN(c5ccnc(C6CC6)n5)CC4)cc3)cc2)CC1,GSQRUDBQNDJPDA-UHFFFAOYSA-N
-rxn:4:220092:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C(=O)Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)cc2)c1,CXRGNFTXPKZIRJ-UHFFFAOYSA-N
-rxn:4:220136:224683,O=C(c1cc(F)cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)c1)N1CCCCC1,YIAWNZPGIKKSBG-UHFFFAOYSA-N
-rxn:4:220136:224782,CN1CCN(c2cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc(F)c2F)CC1,ZVBZQIFWEKYRKG-UHFFFAOYSA-N
-rxn:4:220136:225051,CC1CCCN(c2cc(F)cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c2)C1,HKJMZSFTACPQJJ-UHFFFAOYSA-N
-rxn:4:220136:225166,O=C(c1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1F)N1CCCC1,SHWKOSUETOFMIQ-UHFFFAOYSA-N
-rxn:4:220137:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)ccn2)CC1,BFYMCFPFOPWRQJ-UHFFFAOYSA-N
-rxn:4:220137:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c(Cl)c2)CC1,NTFCEYKETMXUNW-UHFFFAOYSA-N
-rxn:4:220546:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)cc2)CC1,XPTAMPRKWNPTHQ-UHFFFAOYSA-N
-rxn:4:220546:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCN(c5ncnc6c5CCC6)CC4)cc3)cc2)CC1,BPZJMUXQHYWZTQ-UHFFFAOYSA-N
-rxn:4:220546:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCN(c3ncnc4c3CCC4)CC2)cc1,AZMDTCXECYBJRP-UHFFFAOYSA-N
-rxn:4:221097:223541,Cc1n[nH]c(C)c1CCC(=O)N1CCC(Oc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cn2)C1,IGGXFVKZEYEUKJ-UHFFFAOYSA-N
-rxn:4:221115:228153,CCOc1ccc(-c2cc(OC)cc(OC)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,ULYARLRPJLDZLN-UHFFFAOYSA-N
-rxn:4:221120:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cncc(C(=O)N3CCN(Cc4nc5ccccc5n4Cc4ccccc4)CC3)c2)c1,ZCOIMFDLGVJOBO-UHFFFAOYSA-N
-rxn:4:221121:223030,CC(C)OC(=O)Nc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,JWYFOGMTBSQJSI-UHFFFAOYSA-N
-rxn:4:221121:225715,COCCOCc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,DHWSNYVGGUWYSN-UHFFFAOYSA-N
-rxn:4:221164:224195,CCN1CCN(Cc2cc(-c3cnc(OCC4CCCN(c5nccc(OC)n5)C4)nc3)ccc2Cl)CC1,HKFAIYBLSUHQSY-UHFFFAOYSA-N
-rxn:4:221169:223537,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc5cc(OC(F)(F)F)ccc5n4C(=O)OC(C)(C)C)cn3)C2)cn1,GREUUSUWRAGEHB-UHFFFAOYSA-N
-rxn:4:221175:225059,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N5CCC(C)CC5)cc4Cl)cn3)C2)C(=O)C1=O,LYBRHXDBDSNFLU-UHFFFAOYSA-N
-rxn:4:221175:228226,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cc(Cl)c4C)cn3)C2)C(=O)C1=O,DTOSTFPAQPBCMJ-UHFFFAOYSA-N
-rxn:4:221175:228724,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C#N)cc4Cl)cn3)C2)C(=O)C1=O,GMDUIVKNBCYSGR-UHFFFAOYSA-N
-rxn:4:221175:228740,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C#N)cc4F)cn3)C2)C(=O)C1=O,PXVDFSJCASKYOU-UHFFFAOYSA-N
-rxn:4:221175:228747,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)cccc4C#N)cn3)C2)C(=O)C1=O,XZJMCHIEEMLINX-UHFFFAOYSA-N
-rxn:4:221175:228749,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)ccc4F)cn3)C2)C(=O)C1=O,PQXXZRJOYYFEEG-UHFFFAOYSA-N
-rxn:4:221175:228751,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)cc4C#N)cn3)C2)C(=O)C1=O,HSKPJDNQPOHARU-UHFFFAOYSA-N
-rxn:4:221175:228783,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)ccc4Cl)cn3)C2)C(=O)C1=O,VBDXWFYQDJNRJH-UHFFFAOYSA-N
-rxn:4:221175:228795,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(Cl)cccc4OC)cn3)C2)C(=O)C1=O,JETWXLRIFICHOO-UHFFFAOYSA-N
-rxn:4:221175:228807,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)ccc4SC)cn3)C2)C(=O)C1=O,XSVAWTFASPUEKW-UHFFFAOYSA-N
-rxn:4:221175:228835,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)cc(Cl)c4F)cn3)C2)C(=O)C1=O,UBYKNFQCSHSYTA-UHFFFAOYSA-N
-rxn:4:221175:228900,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)ncc4OC)cn3)C2)C(=O)C1=O,UUYYMQZEUPDHMW-UHFFFAOYSA-N
-rxn:4:221175:228901,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(Cl)cc4OC)cn3)C2)C(=O)C1=O,TXDQZHXPRRRUAW-UHFFFAOYSA-N
-rxn:4:221175:228934,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(OC)cc4Cl)cn3)C2)C(=O)C1=O,NKRFMBPBFHESIL-UHFFFAOYSA-N
-rxn:4:221175:229028,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)cc4C)cn3)C2)C(=O)C1=O,VMHJWTMKOKTISS-UHFFFAOYSA-N
-rxn:4:221181:222584,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)nn1C,DMNHHYSJDQVOIR-UHFFFAOYSA-N
-rxn:4:221181:224187,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCCCC5)cc4F)cn3)C2)nn1C,GFFPSFHWRQZXMN-UHFFFAOYSA-N
-rxn:4:221181:224678,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCCCC5)c4)cn3)C2)nn1C,AZZSBWSGSKUQJR-UHFFFAOYSA-N
-rxn:4:221186:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)nc1,YQHFYWURQUTESA-UHFFFAOYSA-N
-rxn:4:221207:224893,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C(C)(C)C)nc(C(C)(C)C)c4)cc3)CC2)n1,UQISAJJFVPGUFR-UHFFFAOYSA-N
-rxn:4:221232:225977,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C1)CCOC2,JCCMDNOQNZSSCD-UHFFFAOYSA-N
-rxn:4:221240:225723,CN(C)CCOc1ccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)cc1Cl,LCNZOTGODQGNPW-UHFFFAOYSA-N
-rxn:4:221249:222980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCNCC6)cc5)cnn4c3)cc2)CC1,SSORPCKUNXKJIU-UHFFFAOYSA-N
-rxn:4:221267:225218,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCCC(C)C4)c(Cl)c3)cc2)n(C)c1=O,XHURBNJCCNGYGR-UHFFFAOYSA-N
-rxn:4:221269:225977,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,GTPPSBOXFRFWEW-UHFFFAOYSA-N
-rxn:4:221393:224668,CCN1CCN(c2cc(F)cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2)CC1,OBIQZZIZGZTXOF-UHFFFAOYSA-N
-rxn:4:221393:224704,CC1CCN(c2cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cc(F)c2F)CC1,AZTFHXXLIYORSW-UHFFFAOYSA-N
-rxn:4:221393:225212,CN1CCN(c2cc(F)cc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2)CC1,ZXULYWMIRKPCIX-UHFFFAOYSA-N
-rxn:4:221393:225213,CN1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(Cl)c2)CC1,NWMCGABKRYKMNK-UHFFFAOYSA-N
-rxn:4:221393:225228,CN1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c(F)c2)CC1,VBWNCGZWBXKCRP-UHFFFAOYSA-N
-rxn:4:221413:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c2Cl)CC1,AEMDQUPPIFAPRW-UHFFFAOYSA-N
-rxn:4:221427:226686,Cc1cnn(C2CCCCO2)c1-c1ccccc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1,PFHUNKJYQJSTNB-UHFFFAOYSA-N
-rxn:4:221440:226114,CCCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c(C)c1,YWARJFJADRUKCB-UHFFFAOYSA-N
-rxn:4:221449:223176,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CNS(C)(=O)=O)c4)cc3)CC2)n1,LYWQBMLHOLRTEX-UHFFFAOYSA-N
-rxn:4:221449:223240,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)nc4)cc3)CC2)n1,JYCRPYXGUQOYND-UHFFFAOYSA-N
-rxn:4:221450:223812,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)ccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,IBBKYPHPZPUIDA-UHFFFAOYSA-N
-rxn:4:221456:228430,CSc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c(F)c1,NVMJCQLENBNWDR-UHFFFAOYSA-N
-rxn:4:221456:228490,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)F)c4)cc3)CC2)n1,ZSIBKMVDBNHVGV-UHFFFAOYSA-N
-rxn:4:221610:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(Oc5ncc(Cl)cn5)CC4)nc3)c(F)c2)CC1,VTOUYOOGUDXLSM-UHFFFAOYSA-N
-rxn:4:221618:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)nc1,RVUFBSYHWSLTCM-UHFFFAOYSA-N
-rxn:4:221618:224770,Cc1cc(-c2cnc(N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)nc2)cc(S(=O)(=O)N2CCCC2)c1,FZJYBNXFQYBQLT-UHFFFAOYSA-N
-rxn:4:221639:223753,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cn3)CC2)n1,UNTKSNZUJYAEKN-UHFFFAOYSA-N
-rxn:4:221641:224120,Cc1cc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)ccc1CO[Si](C)(C)C(C)(C)C,SVRBJHGXWLTPPZ-UHFFFAOYSA-N
-rxn:4:221718:223768,Cn1c(=O)c2c(nc(-c3cn(C(=O)OC(C)(C)C)c4cc(C#N)ccc34)n2CCN2CCCCC2)n(C)c1=O,KXCNYOTZMNKIEU-UHFFFAOYSA-N
-rxn:4:221722:223491,Cc1nc2ccccc2nc1N1CCC(Oc2ncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cn2)CC1,UXJXUQHFAUNQAM-UHFFFAOYSA-N
-rxn:4:221748:222514,COc1ccc(-c2ccc(-n3c(C)cn4c5c(=O)n(CC(C)C)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)NC1CCCCC1,PASLZRAIQVVGEM-UHFFFAOYSA-N
-rxn:4:221855:224720,CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc2)n(C)c1=O,YLMRIYFNOXRVHB-UHFFFAOYSA-N
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-rxn:4:221938:224592,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)nn1,CLRWZIWMFIHFLZ-UHFFFAOYSA-N
-rxn:4:221943:224253,CC1CCCCN1C(=O)c1cc(-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)ccc1F,XHJYQQJDQWQGRR-UHFFFAOYSA-N
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-rxn:4:222303:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ncnc6c5cnn6C)C4)nc3)c(F)cc2C)CC1,CWSMHHAZSBAXNQ-UHFFFAOYSA-N
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-rxn:4:222367:223951,CN1CCN(CCOc2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2F)CC1,RXAYPEKWWNHSQY-UHFFFAOYSA-N
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-rxn:4:222389:207070,CN1CCN(c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc(C3CC3)c2)CC1,PCSJFYVHDDVJEL-UHFFFAOYSA-N
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-rxn:5:176860:223061:225976,COC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(OC)c1-c1ccnc(N2CCOCC2)c1F,GIQCSRHIIKPYDA-UHFFFAOYSA-N
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-rxn:5:177186:226662:223061,CCOC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCN(C)CC3)s2)cc1C,JNRLRUDGFXZOIW-UHFFFAOYSA-N
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-rxn:5:177190:222989:225407,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCNCC3)cc2C)c1,DPXQCOZIMUZQGJ-UHFFFAOYSA-N
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-rxn:5:177190:225446:222989,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCNCC3)cc2C)c(-c2cc(C)cc(OC3CCCC3)c2)c1,UUADJRPLWMYPLE-UHFFFAOYSA-N
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-rxn:5:177190:225455:225600,CCS(=O)(=O)Cc1ccc(-c2cccnc2OC2CCCCC2)c(-c2cc(N3CCCCC3)ccc2C)c1,XVVMDLKGEFHIAN-UHFFFAOYSA-N
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-rxn:5:177190:225633:225446,CCS(=O)(=O)Cc1ccc(-c2cc(C)cc(OC3CCCC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,NWNZXLJAHHHNDH-UHFFFAOYSA-N
-rxn:5:177190:225634:225394,CCS(=O)(=O)Cc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2cnc(N3CCCCC3)c(C)c2)c1,CVZYXCGCXXKDQX-UHFFFAOYSA-N
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-rxn:5:177190:225636:225499,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2ccnc(N3CCC(C)CC3)c2)c1,DJNLXWNVWCESBB-UHFFFAOYSA-N
-rxn:5:177190:225636:225666,CCS(=O)(=O)Cc1ccc(-c2cc(F)cc(N3CCCCC3)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,XJTOFWUYVXSFAM-UHFFFAOYSA-N
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-rxn:5:177190:225805:227657,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCOCC3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,RBDMNLHURCWDET-UHFFFAOYSA-N
-rxn:5:177190:226415:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccccc2N2CCOCC2)c1,LZTRCCGVRHZPAK-UHFFFAOYSA-N
-rxn:5:177190:226428:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cc(N3CCCCC3C)cs2)c1,DKRFUZALMDFYKS-UHFFFAOYSA-N
-rxn:5:177190:226428:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cc(N3CCCCC3C)cs2)c1,BCTDHMJZCYGMJF-UHFFFAOYSA-N
-rxn:5:177190:226571:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnn(CC3CCOCC3)c2)c1,LRBIBLBYKXTOMG-UHFFFAOYSA-N
-rxn:5:177190:226661:222984,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CCC(O)C3)cc2)c(-c2cc(N3CCN(C)CC3)cs2)c1,IKHHMSFGUJRYOL-UHFFFAOYSA-N
-rxn:5:177190:226661:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cc(N3CCN(C)CC3)cs2)c1,OYBHNVZZHJBZTE-UHFFFAOYSA-N
-rxn:5:177190:226898:226571,CCS(=O)(=O)Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2cn(S(=O)(=O)N(C)C)nc2C)c1,QGDYCVIMUWQJPO-UHFFFAOYSA-N
-rxn:5:177193:223065:226427,CCOC(=O)c1cc(C)c(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(N2CCC(C)CC2)cs1,SZABJMODVZRYRT-UHFFFAOYSA-N
-rxn:5:177447:225620:225935,COc1cc(-c2ccc(OC3CCOCC3)cc2)cc(-c2cc(C(C)C)nc(C(F)(F)F)c2)c1OC(C)C,REJXUUYYDPNGQK-UHFFFAOYSA-N
-rxn:5:177448:225927:225800,COc1ccc(-c2cc(C(F)(F)F)ccc2N(C)C)c(OC(C)C)c1-c1ccc(C(=O)N2CCSC2)cc1,WPRZDSCJXJYOSJ-UHFFFAOYSA-N
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-rxn:5:177850:225986:223142,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C2CCCNC2)nc1,FWMGFADUUPUMQA-UHFFFAOYSA-N
-rxn:5:177850:226734:223139,CCOc1ccc(-c2cccc(S(=O)(=O)N(C)C)c2)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1,LJANRQKOPTYFTL-UHFFFAOYSA-N
-rxn:5:177850:226836:227452,CCOc1ccc(-c2cn(C(C)C)nc2C(F)(F)F)c(C2OCCO2)c1-c1cccc(C2OCCO2)c1,YGNQXBHTUJDOEH-UHFFFAOYSA-N
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-rxn:5:178295:227833:227102,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(C)(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,KGHRMTQSCZCUIG-UHFFFAOYSA-N
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-rxn:5:178467:227666:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(C(C)=O)c(F)c3F)c2OC1,OCHNJLZFPBULRD-UHFFFAOYSA-N
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-rxn:5:179418:225620:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(OC3CCOCC3)cc2)s1)N1CCOCC1,AHXHXWHKKGTKER-UHFFFAOYSA-N
-rxn:5:179418:225805:225452,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(OC3C=CCCC3)cc2)s1)N1CCOCC1,YTUOBBCIJQNIJX-UHFFFAOYSA-N
-rxn:5:179629:222992:226583,COc1ccc(-c2ccc(N3CCCCC3O)cc2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,FZKJBVYVGFCWIV-UHFFFAOYSA-N
-rxn:5:180020:225447:225816,O=C1CCCC1Oc1ccc(-c2cc(C3CC3)ccc2C(F)(F)F)cc1-c1ccc(OC2CCCCC2)cc1,BOUYVZUJEXTPPK-UHFFFAOYSA-N
-rxn:5:180021:223054:225986,COc1c(-c2ccc(C(C)N3CCC(O)C3)s2)cc(C2OCCO2)cc1-c1ccccc1N1CCCS1(=O)=O,VZRCKZJILQZHRF-UHFFFAOYSA-N
-rxn:5:180021:226425:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCCCC2C)s1,ARQHKFKJUDXHPN-UHFFFAOYSA-N
-rxn:5:180022:222981:226734,COc1c(-c2cccc(S(=O)(=O)N(C)C)c2)ccc(-c2ccnc(NC3CCCCC3)c2)c1C1OCCO1,PEAVUGLNUPWTKP-UHFFFAOYSA-N
-rxn:5:180022:225671:227610,COc1c(-c2ccn(C3CCCCO3)n2)ccc(-c2cc(C3CCCCC3)ncc2F)c1C1OCCO1,MFVXNOJZAVYZOT-UHFFFAOYSA-N
-rxn:5:180022:225677:225671,COc1c(-c2cc(C3CCCCC3)ncc2F)ccc(-c2ccc(C3CCCCC3)nc2F)c1C1OCCO1,TUEVTVSZBSLNBD-UHFFFAOYSA-N
-rxn:5:180022:225683:226432,COc1c(-c2ccc(C3CCCC3)nc2F)ccc(-c2ccc(C3CCCOC3)nc2C)c1C1OCCO1,MWMLTFOQACHCIF-UHFFFAOYSA-N
-rxn:5:180022:226685:223004,COc1c(-c2ccc(C3CCNCC3)c(F)c2)ccc(-c2cnc(C3CCOCC3)nc2)c1C1OCCO1,PMUSRFQLMRIFMV-UHFFFAOYSA-N
-rxn:5:180022:227390:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,RHIDXGLILCENNP-UHFFFAOYSA-N
-rxn:5:180022:227610:225881,COc1c(-c2ccc(C3CCOCC3)nc2F)ccc(-c2ccn(C3CCCCO3)n2)c1C1OCCO1,IKVQXCDGRXYSPY-UHFFFAOYSA-N
-rxn:5:180421:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccccc1C1CNCCO1,QTILXTFDJLNHMH-UHFFFAOYSA-N
-rxn:5:180506:223002:228431,CSc1c(F)cc(F)cc1-c1c(-c2ccc(C3CCNCC3)cc2F)cc(C(C)(C)C)cc1C1OCCO1,FGCORSLANFWMDK-UHFFFAOYSA-N
-rxn:5:180602:223065:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2O1,PYCXAINDPNUSGY-UHFFFAOYSA-N
-rxn:5:180662:223001:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(C4CCCNC4)ccc3F)c2OC1,LZMAFWUZEJPKIG-PKNBQFBNSA-N
-rxn:5:180662:223138:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CVVRYIHNDPFRAF-UHFFFAOYSA-N
-rxn:5:180662:225625:227568,COC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3cc(OC4CCCC4)ccc3F)c2OC1,DZUUTSVPNBWGCP-UHFFFAOYSA-N
-rxn:5:180662:225655:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,KGRVPJICUWZQIN-FMIVXFBMSA-N
-rxn:5:180662:225834:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,OHTGWXJQLUSFPC-UHFFFAOYSA-N
-rxn:5:181904:222956:226330,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C(C)N3CCCC3)s2)c(C2CCCNC2)c1,GOLLUFRPYMUHCF-UHFFFAOYSA-N
-rxn:5:181904:225832:225672,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(F)nc(C2CCCCC2)c1,YSEWDXDDMCMZQK-UHFFFAOYSA-N
-rxn:5:181904:225881:222988,Cc1cc(-c2c(-c3ccc(C4CCOCC4)nc3F)ccc(C3OCCO3)c2C)cc(C2CCNCC2)n1,DPCUFQSSYHUEBL-UHFFFAOYSA-N
-rxn:5:181906:225805:223138,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1ccnc(C2CCNCC2)c1,LUILNALAOOETGQ-UHFFFAOYSA-N
-rxn:5:181907:222996:222985,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,KRIUQALPDZZQRI-UHFFFAOYSA-N
-rxn:5:181908:225636:222987,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,MOOWLMIHYTUCDI-UHFFFAOYSA-N
-rxn:5:182011:225683:222988,Cc1cc(-c2cc(C3CCOCC3)ccc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCNCC2)n1,SXWBNIDJNYFYGC-UHFFFAOYSA-N
-rxn:5:182012:225832:226174,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)nc2)c(C2CCCOC2)c1,APTFHBYPODEOJU-UHFFFAOYSA-N
-rxn:5:183189:222986:225671,Cc1cc(-c2cc(-c3cc(C4CCCCC4)ncc3F)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)n1,VMCHXIZZMWMSKW-UHFFFAOYSA-N
-rxn:5:183189:222996:222987,Cc1nc(C2CCNCC2)ccc1-c1cc2c(c(-c3ccc(F)cc3C3CCCNC3)c1)OC(C)(C)OC2,NZFZMEWPCQICAP-UHFFFAOYSA-N
-rxn:5:183189:222996:222988,Cc1cc(-c2cc3c(c(-c4ccc(F)cc4C4CCCNC4)c2)OC(C)(C)OC3)cc(C2CCNCC2)n1,VZAFGBZZFIOAFS-UHFFFAOYSA-N
-rxn:5:183228:223062:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2cnc(C3CCNCC3)cc2F)cc2c1OC(C)(C)CC2,HPTPVYHEJGNDCJ-UHFFFAOYSA-N
-rxn:5:189207:226645:227977,COc1cc(C)c(-c2ccc(-c3ccnc(N4CCOCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)cc1C,MNOFFBZQFVMZJM-UHFFFAOYSA-N
-rxn:5:189208:228680:226679,CCCn1nc(C)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cnc(N3CCCC3)cc2F)c1,ZRCRUGJRNLFYSP-UHFFFAOYSA-N
-rxn:5:189209:228864:225849,CCOc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(N4CCCCC4)cc3F)c2)cn1,SIKGIFLQRONCSU-UHFFFAOYSA-N
-rxn:5:189210:226921:225870,Cc1cc(C)c(C2CC2)cc1-c1cccc(-c2cc(F)cc(N3CCOCC3)c2)c1C(=O)ON1C(=O)CCC1=O,DTHIYNHUWXKEIX-UHFFFAOYSA-N
-rxn:5:189212:226919:225585,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2CN2CCOCC2)c(-c2cccc(C3CCCC3)c2)c1,KPDJAIFUOKYCLX-UHFFFAOYSA-N
-rxn:5:189212:226974:223062,CC1(C)OCc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnc(C4CCNCC4)cc3F)ccc21,QVLBEIKKBDFRQT-UHFFFAOYSA-N
-rxn:5:189321:226738:225874,CC(=O)c1ccc(-c2ccc(-c3ccc(F)c(N4CCOCC4)c3)c(C(=O)OC(C)(C)C)n2)c([N+](=O)[O-])c1,HMURUFFTLWHTHS-UHFFFAOYSA-N
-rxn:5:189449:225507:228467,COC(=O)c1cc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)c(C(=O)N3CC(OC)C3)c2)c(F)s1,VCRLQOBACPTUFY-UHFFFAOYSA-N
-rxn:5:189449:227610:222994,COC1CN(C(=O)c2cc(-c3cccc(N4CCC(O)CC4)c3)ccc2-c2ccn(C3CCCCO3)n2)C1,HVANTTCWMQNXPF-UHFFFAOYSA-N
-rxn:5:189664:227351:225466,COC(=O)c1c(C)cccc1-c1ccc(CC(=O)N2CCCC2)c(-c2ccc(N3CCCCC3C)cc2)c1,VGRALZXEHLDYCD-UHFFFAOYSA-N
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-rxn:5:193230:223065:223061,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,GZKFKSVMDKRHTP-UHFFFAOYSA-N
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-rxn:5:193335:225834:226177,Fc1cnc(N2CCCCC2)cc1-c1cccc(-c2ccnc(C3CCCCC3)c2)c1CN1CCOCC1,AIYWRBVWVWHBTD-UHFFFAOYSA-N
-rxn:5:193336:226662:225445,CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3-c3ccccc3OC3CCCCC3)s2)CC1,FCFFAPPYVTVUFE-UHFFFAOYSA-N
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-rxn:5:193382:228965:225805,CC(c1ccc(-c2cc(-c3ccc([N+](=O)[O-])nc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,OPLCGPNKVIPBNM-UHFFFAOYSA-N
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-rxn:5:193870:226440:228120,CCOc1ncc(C)cc1-c1cc(-c2cc(F)nc(C3CCCC3)c2)c(C)cc1S(=O)(=O)N1CCCCC1,AREOPFXWFMFRMQ-UHFFFAOYSA-N
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-rxn:5:193870:226679:228105,CCN(C)c1cc(-c2cc(-c3cnc(N4CCCC4)cc3F)c(C)cc2S(=O)(=O)N2CCCCC2)ccn1,HAVJDDZVXGDNKR-UHFFFAOYSA-N
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-rxn:5:193870:227387:227413,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CCC3)cc2F)cc1-c1ccnc(N2CCCC2)c1,DMIRBRGUGLJFAQ-UHFFFAOYSA-N
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-rxn:5:193870:227834:225672,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)nc(C3CCCCC3)c2)cc1-c1ccc(C2CC2)c(C)c1,GCFCDAISDFWEIM-UHFFFAOYSA-N
-rxn:5:193870:227958:225672,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)nc(C3CCCCC3)c2)cc1-c1ccnc(C2CCC2)c1,UCMPQMLQDQNJEH-UHFFFAOYSA-N
-rxn:5:193870:227959:226412,Cc1cnc(C2CC2)c(-c2cc(-c3cc(F)cc(N4CCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,DNARAOPYGJBERW-UHFFFAOYSA-N
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-rxn:5:193871:223186:227106,Cc1cc(F)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cnn(C3CCCCO3)c2)cc1C1CC1,HUKSYGWEJJTFRL-UHFFFAOYSA-N
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-rxn:5:193972:228214:227387,Cc1cc(-c2cnc(C3CC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCC2)c1,DFWNZCMZKLRBAJ-UHFFFAOYSA-N
-rxn:5:193972:228221:226422,Cc1cc(-c2cc(F)nc(C3CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)ccc1N1CCCC1,ROPBEYZZEUZVKQ-UHFFFAOYSA-N
-rxn:5:193972:228223:225455,Cc1ccc(N2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(C3CC3)nc2F)cc1C,LRIZKNMIPVFFED-UHFFFAOYSA-N
-rxn:5:193972:228490:227283,Cc1cc(-c2cccc(S(=O)(=O)F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)nc(C2CC2)c1,WLVQAWZIWNBYSW-UHFFFAOYSA-N
-rxn:5:193972:228574:227403,Cc1ccc(-c2cc(C)c(-c3ccc(N4CCCCC4)s3)cc2S(=O)(=O)N2CCCCCC2)c(C#N)c1,NNRHMAUEGUAZSG-UHFFFAOYSA-N
-rxn:5:193972:228577:226175,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCCC4)cc3C)cc2S(=O)(=O)N2CCCCCC2)c1,NTFVXLTVZHGYHI-UHFFFAOYSA-N
-rxn:5:193972:228577:226181,CC#Cc1cncc(-c2cc(C)c(-c3ccc(C4=CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,RMDHRKCRKNWVKE-UHFFFAOYSA-N
-rxn:5:193972:228577:226662,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCCC2)c1,CPKPWQGTZFXBNB-UHFFFAOYSA-N
-rxn:5:193972:228588:222998,CC#Cc1cc(-c2cc(C)c(-c3cc(F)cc(C4CCCNC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccn1,POBJTKFZOBWXKM-UHFFFAOYSA-N
-rxn:5:193972:228588:226364,CC#Cc1cc(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)ccn1,NVOYKSDYKBKPGR-UHFFFAOYSA-N
-rxn:5:193972:228588:226662,CC#Cc1cc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCCC2)ccn1,FHMXAOHGOJUZIJ-UHFFFAOYSA-N
-rxn:5:193972:228588:226679,CC#Cc1cc(-c2cc(C)c(-c3cnc(N4CCCC4)cc3F)cc2S(=O)(=O)N2CCCCCC2)ccn1,WKOCLWTYZDXJMO-UHFFFAOYSA-N
-rxn:5:193972:228883:226181,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,VTPFZRZZAAZFTO-UHFFFAOYSA-N
-rxn:5:193972:229017:225833,Cc1cnc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2S(=O)(=O)N2CCCCCC2)c1,BBEFKHNAZPZTIK-UHFFFAOYSA-N
-rxn:5:194058:223054:225671,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCCCC3)ncc2F)s1)N1CCC(O)C1,BZHHQEMRDLCCJZ-UHFFFAOYSA-M
-rxn:5:194058:223054:225672,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)nc(C3CCCCC3)c2)s1)N1CCC(O)C1,OSJCWRZCALPTNZ-UHFFFAOYSA-M
-rxn:5:194058:223054:225674,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(C3CCCCC3)cc2F)s1)N1CCC(O)C1,DUWJWMCDZKVERB-UHFFFAOYSA-M
-rxn:5:194058:223064:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCNCC3)nc2F)s1)N1CCCCC1,SMXMLGBBSKQSGP-UHFFFAOYSA-M
-rxn:5:194058:225607:225395,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CC3)cc(C(C)(C)C)c2)s1)N1CCCCC1,FEJMOYKHNIOVOA-UHFFFAOYSA-M
-rxn:5:194058:225607:225941,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(C3CC3)c(C(F)(F)F)c2)s1)N1CCCCC1,SUAXSXCKNBVEIV-UHFFFAOYSA-M
-rxn:5:194058:225671:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(C3CCCCC3)ncc2F)s1)N1CCC(O)C1,QGSPCCVTBHTNTB-UHFFFAOYSA-M
-rxn:5:194058:225674:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(C3CCCCC3)cc2F)s1)N1CCC(O)C1,HMMMPVDGLIDFCG-UHFFFAOYSA-M
-rxn:5:194058:225805:223061,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCOCC1,OEWVJYLSRIPRCT-UHFFFAOYSA-M
-rxn:5:194397:226611:226573,CCc1ccc(C(F)(F)F)cc1-c1cc(-c2cnc(OC(C)(C)C)nc2C)ccc1C(=O)N1CC2CC2C1,GQHUYRNGJSBDHK-UHFFFAOYSA-N
-rxn:5:194509:226027:222982,CN(C)S(=O)(=O)c1cc(-c2ccc(CN3C(=O)c4ccccc4C3=O)c(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2)ccc1F,UEQGOHKIGBWAES-HHHXNRCGSA-N
-rxn:5:194561:225849:223240,O=C(c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1ccc(C2CCNC2)nc1)N1C2CCC1COC2,GXSTZUWNQIOOOE-UHFFFAOYSA-N
-rxn:5:194688:226147:225798,COc1cc(-c2ccc(OC3CCOCC3)nc2)cc2c1OCC(=O)N(c1ccc(-c3c(C)cc(OC(C)C)cc3C)cc1)C2,MQIZQNQQDTVJBT-UHFFFAOYSA-N
-rxn:5:194733:228021:227505,CC(=O)c1cc(C)cc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,UFHJKSURIBSEAE-BUHFOSPRSA-N
-rxn:5:194767:222987:227298,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2cc(F)ccc2CN(C)C)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,JPNIHHISDQEUKP-UHFFFAOYSA-N
-rxn:5:194767:228099:223002,CCN(C)c1cncc(-c2ccc(-c3ccc(C4CCNCC4)cc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1,ABOJLRIDTCAIDG-UHFFFAOYSA-N
-rxn:5:194792:223015:228320,COC(=O)c1ccc2[nH]c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7ccnc(C(=O)OC)c7)cc6)C(=O)C45)cc3)cc2c1,GTNGCNUOYUHEMA-UHFFFAOYSA-N
-rxn:5:194792:228615:226320,CSc1ccc(C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cc(C6(C#N)CC6)ccc5F)cc4)C(=O)C23)cc1,REBQFKVZIVQEAM-UHFFFAOYSA-N
-rxn:5:196198:225879:226330,CC(c1ccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(N3CCOCC3)cc2F)s1)N1CCCC1,NXXIEMILCNHOBN-UHFFFAOYSA-N
-rxn:5:196408:222985:222988,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(C4CCCNC4)nc3C)c2)cc(C2CCNCC2)n1,FARYLBTVPSMIHT-UHFFFAOYSA-N
-rxn:5:196408:225683:222986,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(C4CCCOC4)nc3C)c2)cc(C2CCCNC2)n1,XXVMWUIQRUYDGW-UHFFFAOYSA-N
-rxn:5:196408:225683:223064,Cc1nc(C2CCCOC2)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C1=NOCCO1,MXXWWTXFGUOCGF-UHFFFAOYSA-N
-rxn:5:196408:225684:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCOCC3)nc2C)c1,WHHPDYOBSNXYEZ-UHFFFAOYSA-N
-rxn:5:196408:226686:225633,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCCCCC3)nc2)ccc1C1=NOCCO1,RWZBKOOJMUZDFE-UHFFFAOYSA-N
-rxn:5:196669:225633:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCC2)ncc1-c1ccc(N2CCCCCC2)nc1,CNBJYTXJXRGLOR-UHFFFAOYSA-N
-rxn:5:196789:223061:227403,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(N2CCCCC2)s1,LQEWLNPNNFAKFS-UHFFFAOYSA-N
-rxn:5:196793:222958:225466,Cc1ccc(-c2ccc(N3CCOCC3=O)cc2-c2ccc(N3CCCCC3C)cc2)cc1C1CCNCC1,LDJCFRKTFHXUTR-UHFFFAOYSA-N
-rxn:5:196858:222988:225677,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2ccc(C3CCCCC3)nc2F)cc(C2CCNCC2)n1,FAMCUKDCVQMTNH-UHFFFAOYSA-N
-rxn:5:196859:222987:222957,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCNCC3)nc2C)cc(C2CCCNC2)c1,SZSIKCDWDIKHNN-UHFFFAOYSA-N
-rxn:5:196919:226041:226334,Cc1cc(C(=O)N(C)C)cc(-c2cc(-c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc2C2=NC(C)(C)CO2)c1,BMELGZYHTKCYAM-UHFFFAOYSA-N
-rxn:5:196969:226069:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cccc(C2CCCCC2)c1,OSLBCQPHFXZRNU-UHFFFAOYSA-N
-rxn:5:196970:225832:227684,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cnn(CC2OCCO2)c1,HUDXNYUIDLVASD-UHFFFAOYSA-N
-rxn:5:196971:223001:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCNC3)ccc2F)ncc1C1CCCCC1,ZFWQGJVDAXCCSX-UHFFFAOYSA-N
-rxn:5:196971:223004:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)c(F)c2)ncc1C1CCCCC1,SAVZCQUZRBQRNH-UHFFFAOYSA-N
-rxn:5:196971:226176:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)ncc1C1CCCCC1,ZJZQSNLJRVUXLS-UHFFFAOYSA-N
-rxn:5:197169:225833:225985,N#CC1=Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,LWPUBHCVOBKQSU-UHFFFAOYSA-N
-rxn:5:197169:225833:225987,N#CC1=Cc2cc(-c3ccc(N4CCCS4(=O)=O)cc3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,ZLVXRQZICHGPSO-UHFFFAOYSA-N
-rxn:5:197169:225985:223065,N#CC1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,JTEUMNHIZPAQRB-UHFFFAOYSA-N
-rxn:5:197169:225987:223065,N#CC1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2OC1,KAOFEVOQLWCSRT-UHFFFAOYSA-N
-rxn:5:197169:225987:225833,N#CC1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2OC1,MTJVTTLSVWYZDH-UHFFFAOYSA-N
-rxn:5:197876:223113:227827,Cc1ccc(C2CC2)cc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,PUJGNKMCJZRIMC-UHFFFAOYSA-N
-rxn:5:197876:227412:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,IXDWRXGIRRNWHM-UHFFFAOYSA-N
-rxn:5:197876:227836:225849,Cc1ccc(-c2cc3c(cc2-c2cnc(N4CCCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c(C2CC2)c1,YKCREXHQYUASLJ-UHFFFAOYSA-N
-rxn:5:225498:178467:227364,CCOC(=O)C1=Cc2cc(-c3ccc(OC)c(C)c3OC)cc(-c3cc(C4CCCCC4)ccc3F)c2OC1,YWSRNZCSPKTKDD-UHFFFAOYSA-N
-rxn:5:225515:193870:228593,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccncc2C2CC2)cc1-c1cccc2c1OCC(C)(C)CO2,DFCWZGRMEMOPNZ-UHFFFAOYSA-N
-rxn:5:225633:193889:225833,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2ccnc(N3CCCCC3)c2F)n1,KYVYSDUNOXRIKW-UHFFFAOYSA-N
-rxn:5:225633:193889:225834,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2C)c(-c2cc(N3CCCCC3)ncc2F)n1,AXRMFDAJKWHXRG-UHFFFAOYSA-N
-rxn:5:225679:193869:228701,Cc1cc(-c2ccc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CC2)nc1,GYTGIKKNPQTRNY-UHFFFAOYSA-N
-rxn:5:225832:181904:226174,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C2CCCCC2)nc1,HEVRGTZOFMSXSG-UHFFFAOYSA-N
-rxn:5:225832:196408:226685,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCOCC3)nc2)ccc1C1=NOCCO1,DTWZBQWELRYKJP-UHFFFAOYSA-N
-rxn:5:225832:196858:226374,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cncnc1C1CCCCC1,SGIBPZAHMQLFMC-UHFFFAOYSA-N
-rxn:5:225833:193870:228588,CC#Cc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)c(C)cc2S(=O)(=O)N2CCCCC2)ccn1,WTZPAGPZGQOCDG-UHFFFAOYSA-N
-rxn:5:225849:178353:226679,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2C)ccc1-c1cnc(N2CCCC2)cc1F,NJKNIFIZXXUWJN-UHFFFAOYSA-N
-rxn:5:225985:197169:225833,N#CC1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,CHAIUFRZSPCHIT-UHFFFAOYSA-N
-rxn:5:225985:197169:225849,N#CC1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,LOZVANOMVKVKGC-UHFFFAOYSA-N
-rxn:5:225987:197169:225833,N#CC1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2OC1,MTJVTTLSVWYZDH-UHFFFAOYSA-N
-rxn:5:226058:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2c(C(C)C)cccc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,YNJCFSWWTPETPZ-UHFFFAOYSA-N
-rxn:5:226061:178295:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C(C)C)cc(C3CC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,ARNJTBYICVSCHV-UHFFFAOYSA-N
-rxn:5:226068:178295:223309,COC(=O)C1(c2cc(-c3ccc(NC(C)C)cc3)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,XXWJHAVNJGMJCR-UHFFFAOYSA-N
-rxn:5:226085:177733:223018,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)CCC(C)(C)O3)cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,MRHRINMZSOKZMB-UHFFFAOYSA-N
-rxn:5:226085:193870:227960,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccncc2C2CCC2)cc1-c1ccc2c(c1)CCC(C)(C)O2,JFJPBOJFWMFZLQ-UHFFFAOYSA-N
-rxn:5:226085:193870:227968,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnccc2C2CCC2)cc1-c1ccc2c(c1)CCC(C)(C)O2,REJOZQYJUKVYLC-UHFFFAOYSA-N
-rxn:5:226140:189207:228177,COCc1ccc(F)cc1-c1ccc(-c2cc(C(C)(C)C)ccc2OC)cc1C(=O)ON1C(=O)CCC1=O,XPNZLQWHESNPNH-UHFFFAOYSA-N
-rxn:5:226154:178295:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KTMJHTDLHZJABM-UHFFFAOYSA-N
-rxn:5:226181:193869:227944,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(C(C)(C)C)c1,OCGWQJGPQNYZHZ-UHFFFAOYSA-N
-rxn:5:226182:178368:226181,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4=CCCCC4)nc3)c(C)c2)c(C)cc1-c1cccnc1C1CCCCC1,WHQQGFLOFCKYJK-UHFFFAOYSA-N
-rxn:5:226182:180022:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,FACLGKAETKIYCN-UHFFFAOYSA-N
-rxn:5:226183:196858:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cnccc1C1CCCCC1,AKUYJDXDQBSHKD-UHFFFAOYSA-N
-rxn:5:226190:197876:227830,CC1(c2ccc(-c3cc4c(cc3-c3ccc(C5CCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,HBUXHCQQWBRVOU-UHFFFAOYSA-N
-rxn:5:226191:190194:227073,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCC3)ccc2F)cc(C2CC2)c1,OVIIOTJAJUNVOI-UHFFFAOYSA-N
-rxn:5:226212:178295:228622,CCc1cc(F)ccc1-c1ccc(-c2ccc3c(c2)CCC3=NOC)c(C2(C(=O)OC)CCC(=O)CC2)c1,LRUQCULZHXXWND-UHFFFAOYSA-N
-rxn:5:226322:178295:228608,COC(=O)C1(c2cc(-c3ccc(C)cc3OC)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,PQIQYMKHTBGFHW-UHFFFAOYSA-N
-rxn:5:226334:178295:228619,CCc1cc(-c2ccc(-c3cc(C)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1F,TXJVBAJVNWFCON-UHFFFAOYSA-N
-rxn:5:226342:178295:228548,CCCc1cncc(-c2ccc(-c3cc(C)c(C(=O)OC)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,COLQNRAEOJHMOZ-UHFFFAOYSA-N
-rxn:5:226374:180022:225666,COc1c(-c2cc(F)cc(N3CCCCC3)c2)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,HZBNQSZGRUDLCP-UHFFFAOYSA-N
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-rxn:5:226973:178295:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,BADVWONESJIDDQ-UHFFFAOYSA-N
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-rxn:5:227933:178295:227120,CCc1ccc(OC)cc1-c1ccc(-c2ccc(C3CCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,GCFZCROEDISPGU-UHFFFAOYSA-N
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-rxn:5:227951:190833:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc([N+](C)(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,JVQZSBSAGRWSBW-UHFFFAOYSA-N
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-rxn:5:227978:178295:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2cc(C(C)C)ccc2F)CCC(=O)CC1,AHDSZAULLZNHDJ-UHFFFAOYSA-N
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-rxn:5:228136:193869:226085,Cc1cc(-c2ccc(OC3CC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc2c(c1)CCC(C)(C)O2,ZCTFHPYQSADCFM-UHFFFAOYSA-N
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-rxn:5:228383:193869:226794,Cc1cc(-c2cnc(C(F)F)c(C)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCSCC2)nc1,HFOAVVXDNHETGT-UHFFFAOYSA-N
-rxn:5:228416:178295:226907,COC(=O)C1(c2cc(-c3cccc4c3CCC43CC3)ccc2-c2c(F)cc(F)cc2OC)CCC(=O)CC1,MNJTYXNMUFZLOV-UHFFFAOYSA-N
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-rxn:4:173642:222404,CCOC(=O)c1c(C)oc2cc(-c3ccc(C4NC(=O)NC4=O)cc3)c(OC(=O)C(C)(C)C)cc12,YGQCPYPQUMTMKX-UHFFFAOYSA-N
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-rxn:4:174406:224880,COC(=O)C1(c2ccc(-c3ccccc3CN3CCCCCC3)cc2)CC(OC)(OC)C1,NCMSKBSKDVCJIO-UHFFFAOYSA-N
-rxn:4:174407:224022,COC(=O)C1(c2cccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)CC(OC)(OC)C1,IKYFBYHUMWGNEF-UHFFFAOYSA-N
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-rxn:4:174603:222906,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cnccc3NC(=O)OC(C)(C)C)cc1)C2=O,VEIAKIRKCNDSHH-UHFFFAOYSA-N
-rxn:4:174604:222836,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(NC(=O)CC(C)(C)C)cc1)C2=O,IFEKVTVUCZOGFL-UHFFFAOYSA-N
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-rxn:4:175193:223539,COC(=O)C1(Oc2ccccc2-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1,CIVSQPLZBOZSNR-UHFFFAOYSA-N
-rxn:4:175259:222465,COc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(F)cc1OCC1CC1,GXDQGBIVODDIFC-UHFFFAOYSA-N
-rxn:4:175428:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(C)(=O)=O)ccc1OCC1CC1,LJZWUKSXJZNZEN-UHFFFAOYSA-N
-rxn:4:175667:223608,COc1cc(S(=O)(=O)Oc2ccccc2Cl)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,BDCNFFFTKXYPLI-UHFFFAOYSA-N
-rxn:4:176018:222775,COc1cc(-c2ccc(CN3CCC(O)CC3)c(F)c2)c(F)cc1OCC1CCCCC1,LUYSQNFTOXKKGK-UHFFFAOYSA-N
-rxn:4:176018:224552,COc1cc(-c2cc(F)cc(COC3CCCCC3)c2)c(F)cc1OCC1CCCCC1,OLHSXFXVORKZLV-UHFFFAOYSA-N
-rxn:4:176038:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(C(=O)CCc4c(C)cccc4C)c3)cc21,PAGMNNIRWKVXCB-UHFFFAOYSA-N
-rxn:4:176207:222538,COC(=O)CC[C@H]1CCc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)ccc2O1,GTXNKSUPIXBZKY-XMMPIXPASA-N
-rxn:4:176294:224847,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)c1)C2=O,BBJPNUNSQFPZIP-UHFFFAOYSA-N
-rxn:4:176313:222904,CC1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc(-c4ccc(NC(=O)OC(C)(C)C)nc4)cc3)ccc2C1=O,NMJSDZHAFVQVIK-UHFFFAOYSA-N
-rxn:4:176700:223520,COC(=O)c1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C(F)(F)F)c1,SYOQEZXHAUXIMU-UHFFFAOYSA-N
-rxn:4:176717:222603,COC(=O)c1c(-c2cc(OC)c(NC(=O)OC(C)(C)C)cc2Cl)cc(Cl)cc1C(F)(F)F,IKGVEQGAIWPXTF-UHFFFAOYSA-N
-rxn:4:177743:223648,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1,RLYWEJQYLKBDIW-UHFFFAOYSA-N
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-rxn:4:178381:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,MUUBVMLDTMNRTB-UHFFFAOYSA-N
-rxn:4:178384:225647,Cc1cnn(-c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(C)c2)c1,FXWGKSOPMUOFAJ-UHFFFAOYSA-N
-rxn:4:178384:226288,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC(C)C,MKEOOYPIKTZYMZ-UHFFFAOYSA-N
-rxn:4:178384:227110,Cc1cc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C1CC1,RKOIFNOZBRVOMW-UHFFFAOYSA-N
-rxn:4:178384:228184,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1SC,LBUJAPOJGPWDEI-UHFFFAOYSA-N
-rxn:4:178384:228843,Cc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,OBLQJFSRJZOFQQ-UHFFFAOYSA-N
-rxn:4:178384:228924,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(Cl)n1,DONIEJWVLKPTFF-UHFFFAOYSA-N
-rxn:4:178473:223813,CCOC(=O)c1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)sc2c1CCCC2,KBLPOKUARLSTFS-UHFFFAOYSA-N
-rxn:4:178597:228117,CC(C)Oc1cncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,DZSMGMANUJMDGG-UHFFFAOYSA-N
-rxn:4:180037:223840,COc1ccc(-c2c(C)cc(C(F)(F)F)cc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,UCVURDYFYFNKDU-UHFFFAOYSA-N
-rxn:4:180532:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(F)(F)F)c1,HAENFOMQQJSTDA-UHFFFAOYSA-N
-rxn:4:180772:222543,CCC1(CC)CCc2cc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)ccc2C1=O,DSGJUXXSYUJSBT-UHFFFAOYSA-N
-rxn:4:180772:223712,CCC1(CC)CCc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2C1=O,KATGCQYMGPDWPO-UHFFFAOYSA-N
-rxn:4:180792:223582,CCOC1CCC2(CC1)Cc1ccc(-c3cc4ccc(C(=O)OC)cc4n3C(=O)OC(C)(C)C)cc1C2=O,PFRTWCBBEOBQQA-UHFFFAOYSA-N
-rxn:4:180792:224190,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OC)c(O[Si](C)(C)C(C)(C)C)c3)cc1C2=O,IWZQHPQJYRUENB-UHFFFAOYSA-N
-rxn:4:180855:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c1,PKSYHSJHYFQZJL-UHFFFAOYSA-N
-rxn:4:181096:223492,CSc1c(F)cccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,MJVBKXZWCOBFHP-UHFFFAOYSA-N
-rxn:4:181922:222511,C[Si](C)(C)c1c(F)c(F)c(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c(F)c1F,GUORNVGPQBNCDW-UHFFFAOYSA-N
-rxn:4:182093:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc(C3(C)CCC(=O)CC3)c2)c1,IZTJJTRXVFRQAV-UHFFFAOYSA-N
-rxn:4:182354:223812,COc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c2c1OC1(CCCC1)C2,OCIIAYPSZBFELA-UHFFFAOYSA-N
-rxn:4:182372:223945,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc1C2=O,ZBXOBBUKBSSKBN-UEZMCPDZSA-N
-rxn:4:182372:224170,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cc1C2=O,OGVFQZKCJMQECO-UEZMCPDZSA-N
-rxn:4:182376:222776,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCC(O)CC5)cc4F)cc3C2=O)C[C@@H]1C,ZKXURUNOVXCLEW-UBHXRJOGSA-N
-rxn:4:183265:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1ccc2c(c1)C(=O)C1(CCC(F)(F)CC1)C2,PTUKZONZTRGGAN-UHFFFAOYSA-N
-rxn:4:183272:227540,COc1c(F)cc(SC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,OBBLOYUHQBBIOM-UHFFFAOYSA-N
-rxn:4:183379:225498,CC1(C)C=Cc2c3c(cc(-c4cc(C5CCCCC5)ccc4F)c2O1)C(=O)OC(C)(C)O3,IMPIRSCZLCBHPB-UHFFFAOYSA-N
-rxn:4:183547:223776,COCCCOc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cnc1OC,BEDXCGJZUGPSKU-UHFFFAOYSA-N
-rxn:4:183668:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1,YCIIREBTHVKIHB-UHFFFAOYSA-N
-rxn:4:183722:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c1,SXXCGRFJFLNEBA-UHFFFAOYSA-N
-rxn:4:183746:224420,COC(=O)CSC1CCN(C(=O)c2ccccc2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)C1,AATUUSZMJBEXNE-UHFFFAOYSA-N
-rxn:4:183750:226097,FC(F)(F)Oc1ccc(OCCN2CCOCC2)c(-c2ccc(COCC3CC3)cc2)c1,QJRIWVXIZWBAEY-UHFFFAOYSA-N
-rxn:4:183799:224485,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1,CQRITTFFDZVTBQ-UHFFFAOYSA-N
-rxn:4:183839:223936,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2cc3c(F)cccc3n2C(=O)OC(C)(C)C)cc1,FMSRCDBJEDNCHC-UHFFFAOYSA-N
-rxn:4:183873:225257,CCOC(=O)COc1cc(F)cc(-c2cc(OCCN3CCCCC3)cc(C(=O)OC)c2)c1,QUGUUZBAZMPNTO-UHFFFAOYSA-N
-rxn:4:183900:225555,CC(C)N(Cc1ccc(F)cc1-c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C,WPAURDVEXAVDNN-UHFFFAOYSA-N
-rxn:4:183911:226246,CCCCOc1cccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2C)c1F,NSKONYOIZZJUTR-UHFFFAOYSA-N
-rxn:4:183913:224366,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1ccc(OC(F)(F)F)c(OCC2CC2)c1,SMCLEHGFBINEME-UHFFFAOYSA-N
-rxn:4:183985:223107,COc1ncc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)cc1NS(C)(=O)=O,IKHQDPLCMYPCTH-UHFFFAOYSA-N
-rxn:4:184041:224100,CC1CCN(CCOc2ccccc2-c2cccc(C(=O)N3CCC(COCc4ccc(F)cc4)CC3)c2)CC1,NEJRDTQLPQWPPR-UHFFFAOYSA-N
-rxn:4:184081:222720,COc1cc(C=C2N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1-c1ccc(N2CCNCC2)cc1C(F)(F)F,QJLPGMYXZLQARB-UHFFFAOYSA-N
-rxn:4:184097:223831,COc1ccc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,NYATTYDCCSWIAO-UHFFFAOYSA-N
-rxn:4:184125:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1cc(OCCCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1,KPAKPVHTJUUIBK-UHFFFAOYSA-N
-rxn:4:184132:224426,COC(=O)c1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc2c1ccn2CC(=O)OC(C)(C)C,DUDMZXLEXBMOGA-UHFFFAOYSA-N
-rxn:4:184132:224878,COC(=O)c1cc(-c2ccccc2COC2CCCCC2)cc2c1ccn2CC(=O)OC(C)(C)C,XRMAJBJZQJJCNE-UHFFFAOYSA-N
-rxn:4:184181:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1,MMIIRKOMLJBBLN-UHFFFAOYSA-N
-rxn:4:184211:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4cc(C(=O)OC(C)C(=O)c5ccccc5)c5cccc(C)c5n4)cc3)cc21,JYQQLBCZFCOFRQ-UHFFFAOYSA-N
-rxn:4:184230:224082,CCCCC(CC)CN1C(=O)c2cccc3c(-c4cccc(C(CC)C(=O)OC(C)(C)C)c4)ccc(c23)C1=O,XKJPUMRVOGZENG-UHFFFAOYSA-N
-rxn:4:184375:222606,CCOC(=O)Cc1cc(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)c(C#N)cc1F,CTFBRNPJBBGSPW-UHFFFAOYSA-N
-rxn:4:184745:225128,COC(=O)C1(c2ccc(F)c(-c3ccc(C(=O)N4CCC4(F)F)c(OCC(F)F)c3)c2)CC1,MREZDFKQVGWLPJ-UHFFFAOYSA-N
-rxn:4:184913:224650,COC(=O)C1CN(Cc2ccc(-c3cc(F)ccc3OCC3CCOCC3)cc2OC)C1,MVIVEVLNUCQEGA-UHFFFAOYSA-N
-rxn:4:185023:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc([N+](=O)[O-])ccc1OCCC1CCCCC1,OCCTXLVLRUZKTE-UHFFFAOYSA-N
-rxn:4:185023:223974,CC1CCN(c2ccc(-c3cc([N+](=O)[O-])ccc3OCCC3CCCCC3)c(C(F)(F)F)c2)CC1,NJUACMVLCZSVFV-UHFFFAOYSA-N
-rxn:4:185047:225722,CN(C)CCOc1cc(-c2cccc(CN3CCCCC3)c2OCC(F)(F)F)ccc1Cl,KWEYGUDOCAEBCE-UHFFFAOYSA-N
-rxn:4:185061:226844,O=C(c1cc(-c2cc(Cl)cc(F)c2OCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,NJABMUWYHSMJIQ-UHFFFAOYSA-N
-rxn:4:185094:224420,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,YWKNIBMBNOIKAZ-UHFFFAOYSA-N
-rxn:4:185134:222511,COC(=O)C1CCN(CCc2ccc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)cc2)CC1,ALRWGGVQBNXLOY-UHFFFAOYSA-N
-rxn:4:185159:226844,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,RUQDGXVYMJAHKY-UHFFFAOYSA-N
-rxn:4:185198:225613,COC(=O)c1cc(-c2ccnc(OC3CCCCC3)c2)ccc1CN1CCC(OC)CC1,ZIMLHZVDTWABGD-UHFFFAOYSA-N
-rxn:4:185229:222855,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C2CCCNC2)c1,FMUSUGLMGNOLDZ-UHFFFAOYSA-N
-rxn:4:185235:224283,COc1cc(C=C2N=C(c3ccc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cc3)OC2=O)ccc1OC(C)=O,WIECKXDNWWJLKI-UHFFFAOYSA-N
-rxn:4:185252:223844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)ccc1OCc1ccccc1)N1CCOCC1,XBSZYTZNHJCZQG-UHFFFAOYSA-N
-rxn:4:185354:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,CUBDUBDQIQEFCW-UHFFFAOYSA-N
-rxn:4:185357:226237,CN(C)CCOc1ccccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,KAWSTUOSMLACMB-UHFFFAOYSA-N
-rxn:4:185370:223042,CC(C)NC(=O)c1ccc(-c2ccc(C(=O)OC(C)CN3C(C)CCCC3C)cc2)cc1Cl,RVEIIFZGYIABQB-UHFFFAOYSA-N
-rxn:4:185386:225530,CCN(CC)Cc1ccc(F)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1C(F)(F)F,RWDTZLMPNWABEE-UHFFFAOYSA-N
-rxn:4:185398:224078,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,QBPHTDNSUDSTHT-UHFFFAOYSA-N
-rxn:4:185398:224269,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)c1,HGWACNOELKKHKA-UHFFFAOYSA-N
-rxn:4:185398:225109,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cccc(OC(=O)OC(C)(C)C)c2)c1,GQZWBJZHDSWFDL-UHFFFAOYSA-N
-rxn:4:185442:226078,COc1cc2ccccc2cc1-c1cc(C2COC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,QNFPZTDRQCLCAL-UHFFFAOYSA-N
-rxn:4:185448:229156,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cncc(C#N)n3)cc(C3CCOCC3)c2)CC1,VEZSPBMPIJJHLO-UHFFFAOYSA-N
-rxn:4:185491:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c(OC)ccc3cc(C(=O)C(C)C=NOC)ccc23)c1,UXDCCUKBAKWZCZ-UHFFFAOYSA-N
-rxn:4:185503:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc3c(ccn3COCC[Si](C)(C)C)c2)c1,DYTHVMCDRVZRQI-UHFFFAOYSA-N
-rxn:4:185511:225395,COC(=O)c1cc(-c2cc(C3CC3)cc(C(C)(C)C)c2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,YSTDDRVUOFEVME-UHFFFAOYSA-N
-rxn:4:186295:223994,CON(C)C(=O)c1ccc(C(F)(F)F)c(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1,SSTQQRZYFJCYDZ-UHFFFAOYSA-N
-rxn:4:186691:222514,COc1ccc(-c2ccc(S(=O)(=O)N(C)CC3CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,TYOWMBVQXGZULV-UHFFFAOYSA-N
-rxn:4:186722:222828,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c(C(=O)N2CC(C(F)F)C2)c1,BVBCWHATLPBEKL-UHFFFAOYSA-N
-rxn:4:186819:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)c(OC(F)(F)F)c1,NBQNJQUESKXTLX-UHFFFAOYSA-N
-rxn:4:186874:223895,CCN1CCN(CCOc2ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc2)CC1,QUKMQKICRYQHRY-UHFFFAOYSA-N
-rxn:4:186941:224008,O=C(CCc1ccc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc1)N1CCOCC1,BSOBAYPUPCXSEO-UHFFFAOYSA-N
-rxn:4:187007:224616,COC(=O)c1cc(CN2CCC(F)(F)C2)cc(-c2ccccc2OCCN2CCOCC2)c1,RLHAHSMQFGNEHP-UHFFFAOYSA-N
-rxn:4:187008:224775,COC(=O)c1ccc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)c(CN2CCC(F)(F)C2)c1,CDFNOAWTBIRSGZ-UHFFFAOYSA-N
-rxn:4:187153:225912,CCCOc1c(F)cc(F)c(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)c1F,VDEPKWRGROHQML-UHFFFAOYSA-N
-rxn:4:187176:224458,Cc1cc(-c2ccc(C(C)N3CCC(C)CC3)cc2)ccc1OCC(=O)N1CCCCC1,NISVJKCRROZRCK-UHFFFAOYSA-N
-rxn:4:187187:224590,COC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)cc2F)ccc1CN1CCCCC1,ZRNNSGSJAIBEQY-UHFFFAOYSA-N
-rxn:4:187192:222776,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1,TVGIRDRYUWEYBV-BVZFJXPGSA-N
-rxn:4:187210:224247,COC(=O)C1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)N3CCC(C)CC3)cc2F)CC1,ONFGZSNSCKOLJZ-UHFFFAOYSA-N
-rxn:4:187303:224336,COC1CCN(CCc2cc(F)ccc2-c2ccc(N3CCCCC3)cc2C(F)(F)F)CC1,SJISKAMAAMQUPY-UHFFFAOYSA-N
-rxn:4:187304:224569,COC1CCN(CCc2cc(-c3cc(F)cc(OCC4CCCCC4)c3)ccc2F)CC1,YDPNFSXEJVSDSW-UHFFFAOYSA-N
-rxn:4:187336:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCCC(F)(F)C1,ILXJRAZWHJQSFE-UHFFFAOYSA-N
-rxn:4:187349:224704,CC1CCN(c2cc(-c3ccccc3S(=O)(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)cc(F)c2F)CC1,ITDQLMVUWOWXJO-UHFFFAOYSA-N
-rxn:4:187386:222933,CCOC(=O)C1ON=C(c2ccc(C)c(-c3cnc(NC(=O)OC(C)(C)C)nc3)c2)C1(C)C,LQCUAOAGCBLAGR-UHFFFAOYSA-N
-rxn:4:187396:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc(OCc2ccc(Cl)cc2)c(C=C2SC(=S)N(C)C2=O)c1,CQAWBABIZSIJFI-UHFFFAOYSA-N
-rxn:4:187468:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)o2)c1,ZQFYEBXPJVRXOY-UHFFFAOYSA-N
-rxn:4:187475:224588,CCC1CCCCN1c1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc1COC,IQMTXEPUEPKCHX-UHFFFAOYSA-N
-rxn:4:187553:223141,CCOc1cc(-c2cncc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CC(C)OC(C)C1,QQTWOTKJSLXVJY-UHFFFAOYSA-N
-rxn:4:187579:223753,Cc1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)co2)cc1OCCCN1CCN(C)CC1,ADYYSMAAWSFDRB-UHFFFAOYSA-N
-rxn:4:187593:223758,COc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(F)c2)cc(OC)c1OCc1ccccc1,NIWDCSWPXZNEJI-UHFFFAOYSA-N
-rxn:4:187625:222856,COc1ccc(C2CCNCC2)cc1-c1cccc(OC(C)C)c1CN1CCC(C)CC1,GZVXTYZWKXICMA-UHFFFAOYSA-N
-rxn:4:187641:222937,O=C(NCC(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)cc1,ZYTNDQNOZYBKCV-UHFFFAOYSA-N
-rxn:4:187644:226844,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,WWWJNKWGTOQRQX-UHFFFAOYSA-N
-rxn:4:187659:223122,CC(C)C(=O)Nc1cccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,BKWPMCRRCAECNB-UHFFFAOYSA-N
-rxn:4:187669:226061,CC(C)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)cc(C2CC2)c1,MXBNQOPJEIKGLX-UHFFFAOYSA-N
-rxn:4:187727:223687,CCCC(=O)Oc1c[nH]c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(Cl)c12,BGLWSQDAJGSOCG-UHFFFAOYSA-N
-rxn:4:187883:223845,CCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCc2ccccc21,VBIIGEZRJPGLJF-UHFFFAOYSA-N
-rxn:4:187883:224018,CCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCc2ccccc21,PWMKVVWOHVXZMI-UHFFFAOYSA-N
-rxn:4:187912:223035,COc1ccc(-c2cccnc2NC(=O)C(C)(C)C)c2c1CCN(C(=O)OC(C)(C)C)C2,NANYHGSYTIBUEA-UHFFFAOYSA-N
-rxn:4:187924:224407,CCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1,BVWPIPRSWUTSPK-UHFFFAOYSA-N
-rxn:4:187944:226981,CCCCCCc1ccsc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,CTUSDXPADBCEQX-UHFFFAOYSA-N
-rxn:4:187985:224470,COCCOc1ccc2cc(-c3ccc(C45CCOCC4N(C(=O)OC(C)(C)C)CC5)cc3)ccc2c1,NELCZBMCVINZIJ-UHFFFAOYSA-N
-rxn:4:187995:224070,CCc1cc(-c2cncc(-c3ccc(C(C)(C)C)cc3)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,ORBVVWFWFPVMJY-UHFFFAOYSA-N
-rxn:4:187995:227807,CCc1cc(-c2cccc3c2CCCC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,JVUJEKIJUIAVCK-UHFFFAOYSA-N
-rxn:4:188006:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(C#N)ccc1OCC12CC3CC(CC(C3)C1)C2,VZGMZCKQRDMSOW-UHFFFAOYSA-N
-rxn:4:188284:223636,COC(=O)c1c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc(F)c1C#N,YNARGHSNYBLCHH-UHFFFAOYSA-N
-rxn:4:189122:222524,N#Cc1ccc(OC2CCOC2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1,LOPOGYXLZUHIKT-UHFFFAOYSA-N
-rxn:4:189214:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1F,GTDODNXOOUIBSM-UHFFFAOYSA-N
-rxn:4:189384:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cc(C(=O)N4CCC4)cc(C(F)(F)F)c3)cc2)CC1,QNOPXWVRXWWJCK-UHFFFAOYSA-N
-rxn:4:189421:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC(C)C)c(S(N)(=O)=O)c1,UYLFFYUIOBSNJR-UHFFFAOYSA-N
-rxn:4:189505:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC1,JXWCCXKQEHRNTL-UHFFFAOYSA-N
-rxn:4:189505:223835,Cc1cc(F)c(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)cc1S(=O)(=O)N1CCC(C)CC1,LXNNVACFVTYTQS-UHFFFAOYSA-N
-rxn:4:189507:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,ZJZMSKZPRMSRDM-UHFFFAOYSA-N
-rxn:4:189507:224326,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)ccc1S(=O)(=O)N1CCCCC1,APPJNFDDUVEGEI-UHFFFAOYSA-N
-rxn:4:189507:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,DYBHRSKYQNAMHC-UHFFFAOYSA-N
-rxn:4:189507:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,ZYSNZKOMWMAEPJ-UHFFFAOYSA-N
-rxn:4:189522:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(OCC4CCCC4)c3)cn2)CC1,RVSJIVRGIBIACO-UHFFFAOYSA-N
-rxn:4:189644:223786,CCN(C)S(=O)(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1C,WDUDNBPHKXIRRR-UHFFFAOYSA-N
-rxn:4:189702:224797,CCCCOc1c(F)c(F)c(-c2ccc(C(=O)N3CCC(S(C)(=O)=O)C3)o2)c(F)c1F,LMFWORKFPAPTPU-UHFFFAOYSA-N
-rxn:4:189866:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)c3ccccc23)CC1,KCHIMLKAYGWGOC-UHFFFAOYSA-N
-rxn:4:189866:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,XGBSMIXOQRQBRJ-UHFFFAOYSA-N
-rxn:4:189866:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,RDOAOCBZBMUMOF-UHFFFAOYSA-N
-rxn:4:189866:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,DUXQGAIMDHWFCG-UHFFFAOYSA-N
-rxn:4:189866:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,JRHVQVPBMKMFBH-UHFFFAOYSA-N
-rxn:4:189867:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c3ccccc23)CC1,ACFCQHIOKYVXIV-UHFFFAOYSA-N
-rxn:4:189867:224771,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1,NWYRGYPVFOXNJZ-UHFFFAOYSA-N
-rxn:4:189885:225550,CCCCC(=O)c1ccc(-c2c(C(F)(F)F)ccc(F)c2C(=O)N2CCOCC2)cc1F,QOJDAKVJCQSOOG-UHFFFAOYSA-N
-rxn:4:189926:222621,CC(C)Cc1cc(-c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc(C2CCCNC2)n1,VFDIEZRXXXSLQP-UHFFFAOYSA-N
-rxn:4:189936:224018,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)ccc1CN1CCC(F)(F)C1,JJJYCRGQUNVVLH-UHFFFAOYSA-N
-rxn:4:190003:222656,O=C(NC1CCCCC1)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2F)cc1F,OPGQZQJDXKLYCU-UHFFFAOYSA-N
-rxn:4:190058:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(F)ccc3CC(=O)N3CCC(F)(F)CC3)cn2)CC1,FNKJDZRFLFZXBN-UHFFFAOYSA-N
-rxn:4:190147:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(F)c(CCN3CCC(F)(F)CC3)c2)cc([N+](=O)[O-])c1,WCYWHGIBXGMWGL-UHFFFAOYSA-N
-rxn:4:190155:225162,COc1ccc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(=O)CC1,XOHXPIXZKQBSJB-UHFFFAOYSA-N
-rxn:4:190161:224458,COc1c(Cl)cc(C(=O)N2CCCC(F)(F)C2)cc1-c1ccc(C(C)N2CCC(C)CC2)cc1,XATRRVGWIVORQD-UHFFFAOYSA-N
-rxn:4:190165:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,JSTWJUVQLDOVDE-UHFFFAOYSA-N
-rxn:4:190165:224770,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCCC3)c2)cc(S(=O)(=O)N2CCCC2)c1,UTPNDNDPPVDPQV-UHFFFAOYSA-N
-rxn:4:190174:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(F)cc1F,AYYIHXZOVUAKPH-UHFFFAOYSA-N
-rxn:4:190186:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3CN3CCCCC3)c(F)c2)CC1,HSGSISFPYZYXDP-UHFFFAOYSA-N
-rxn:4:190216:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,UDRZJBCUVISFSG-UHFFFAOYSA-N
-rxn:4:190228:224396,Cc1cc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,MMSKCJGIGNLGAE-UHFFFAOYSA-N
-rxn:4:190247:223568,COc1cccc(C=C2N=C(c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)OC2=O)c1,BNKNIPFGTONODB-UHFFFAOYSA-N
-rxn:4:190342:224180,CC(c1ccccc1-c1ccccc1OCCN1CCN(C)CC1)N1CCCC(C(F)(F)F)C1,JAXJCADGKJMHEY-UHFFFAOYSA-N
-rxn:4:190355:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1,IIGXJSMFJSEBID-UHFFFAOYSA-N
-rxn:4:190361:224022,CCc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(N2CCC(OC)CC2)c1,FCXWTACLMXESEU-UHFFFAOYSA-N
-rxn:4:190390:223784,CCN1CCN(CCOc2ccc(-c3cc(OC)cc(C(=O)N4CCC5(CC4)CC5)c3)cc2F)CC1,AUKOTMIPNYCWGO-UHFFFAOYSA-N
-rxn:4:190393:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(F)ccc2N2CCCC(C(=O)C(C)C)C2=O)cc1,UTXZNYFEGVSIQT-UHFFFAOYSA-N
-rxn:4:190462:222855,COc1cc(-c2ccc(C3CCCN3CC3CCOCC3)cc2)cc(C2CCCNC2)c1,GDAVUPFCJIWAAH-UHFFFAOYSA-N
-rxn:4:190477:223799,COc1ccc(-c2ccc(C(F)(F)F)c(OCc3ccccc3)c2)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,ZEFIFVUXQWQVSZ-UHFFFAOYSA-N
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-rxn:4:203952:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cncc(CC4CCCN(C(C)=O)CC4)c3)cc2)C1,AKEKCSSYBAJHCT-UHFFFAOYSA-N
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-rxn:4:204756:223075,O=C(c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc1)N1CC(N2CC3CCCC3C2)C1,PBHCGPVYBCYSHW-UHFFFAOYSA-N
-rxn:4:204780:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,VESOAYBKOQBRTD-UHFFFAOYSA-N
-rxn:4:204799:226889,O=C(C1=CN(c2ccc(-c3cc(Cl)cc(C(F)(F)F)c3F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,FWWIMPHZWVATDZ-UHFFFAOYSA-N
-rxn:4:204804:228616,CSc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c(C)c1,GVMVBTZXMNVMBW-UHFFFAOYSA-N
-rxn:4:204808:223166,O=C(C1=CN(c2ccc(-c3ccc(N4CCNCC4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1,IJUOUCKHFXFYDZ-UHFFFAOYSA-N
-rxn:4:204835:224359,CCN(CC)C(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cc([N+](=O)[O-])c1,RVTIGQKLEVFRKQ-UHFFFAOYSA-N
-rxn:4:204843:226492,COCCOc1ccc(Cl)c(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)c1,RWKYMZVGANHKBO-UHFFFAOYSA-N
-rxn:4:204868:222886,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccc(N5CCNCC5)cc4C#N)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,ANXSYSIYYDVBKL-UHFFFAOYSA-N
-rxn:4:204872:224703,Cc1ccc(C2C3C(=O)N(c4ccc(-c5cc(C6CCCC6)cc(C(F)(F)F)c5)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,ILXDAUIVERBSSG-UHFFFAOYSA-N
-rxn:4:205138:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ncc(C(F)(F)F)cc2[N+](=O)[O-])cc1,LIOHJBWDPLQAFQ-UHFFFAOYSA-N
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-rxn:4:206490:223814,COc1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)n1C1CCCCO1,XXGPPDVMIQJDSW-UHFFFAOYSA-N
-rxn:4:206582:222538,CC(=O)N1CCCC(c2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)s2)C1,LQKWWXKZNJSHKL-UHFFFAOYSA-N
-rxn:4:206644:223960,CCN1CCN(C(=O)c2cc(-c3cc(C#N)ccc3N3CCC(F)(F)CC3)ccc2F)CC1,YXFKEGGCNNRSJD-UHFFFAOYSA-N
-rxn:4:206729:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc(N4CCC(C(F)(F)F)CC4)n3)c2)CC1,OZCXKDJKSIPXLS-UHFFFAOYSA-N
-rxn:4:206737:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)CC1,YRZCECREPRWUBG-UHFFFAOYSA-N
-rxn:4:206739:224285,Fc1cc(OCCN2CCOCC2)ccc1-c1cnccc1N1CCCC(C(F)(F)F)C1,DXTQVIIIAKNWGC-UHFFFAOYSA-N
-rxn:4:206740:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(F)(F)CC4)c([N+](=O)[O-])c3)c3ccccc23)CC1,LXLLLTWPIBSWPT-UHFFFAOYSA-N
-rxn:4:206766:224634,COc1ccc(-c2cc(F)c([N+](=O)[O-])c(N3CCC(F)(F)CC3)c2)cc1CN1CCOCC1,SCOCMGPMKJSAKM-UHFFFAOYSA-N
-rxn:4:206845:222540,Cc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cnc1C(=O)N1CCCCC1,BWKCKJVFXXXLDM-UHFFFAOYSA-N
-rxn:4:206930:222466,CN1CCN(Cc2cc(F)cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,VXKXVXJRWITYBG-UHFFFAOYSA-N
-rxn:4:206956:222461,CN1CCN(S(=O)(=O)c2cccc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)c2)CC1,STSFKWGPOQLWKR-UHFFFAOYSA-N
-rxn:4:206959:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,PNYLAEISEDGVLV-UHFFFAOYSA-N
-rxn:4:206992:225357,CCOc1cc(-c2cncc(C(=O)N3CCC4(CC3)CC4(F)F)c2)c(F)c(C(F)(F)F)c1,PWJGJISMYKVSDN-UHFFFAOYSA-N
-rxn:4:207026:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cncc(C(=O)N2CCC3(CC2)OCCO3)c1,CEKVMBDGKDABEY-UHFFFAOYSA-N
-rxn:4:207080:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(C(=O)N4CCC5(CC4)OCCCO5)c3)c2)CC1,WAGXUQZRZCIQFN-UHFFFAOYSA-N
-rxn:4:207447:223810,Cc1cc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,JPJDUCZWNLXJSX-UHFFFAOYSA-N
-rxn:4:207618:224018,N#CC1=CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)c2cc(F)ccc2S1(=O)=O,RWPUEXDWBJUVOV-UHFFFAOYSA-N
-rxn:4:207729:223748,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,WCURFHADKHTWMR-UHFFFAOYSA-N
-rxn:4:207731:224326,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)c(C)c1,ALMBOYIZHSODGX-UHFFFAOYSA-N
-rxn:4:207731:224404,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,OTRIGZZGQQWTRV-UHFFFAOYSA-N
-rxn:4:207813:224017,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)c3ccccc23)CC1,WRQYNNPLQJAZII-UHFFFAOYSA-N
-rxn:4:207856:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)c1,FMGVFBJEHVAJTH-UHFFFAOYSA-N
-rxn:4:207959:222988,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nc(C5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,SBLBEHASZTWCAI-UHFFFAOYSA-N
-rxn:4:207959:226180,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nc(C5CCCC5)c4)ccc2OC3C2CCCCC2)cc1,DVZITBNZDNGBPG-UHFFFAOYSA-N
-rxn:4:208246:223539,COc1ccc(-c2cc([N+](=O)[O-])c(F)c[n+]2[O-])cc1S(=O)(=O)N1CCC2(CC1)OCCO2,DTMYWFJMQWCKJC-UHFFFAOYSA-N
-rxn:4:209884:222465,Cc1cc(N2CCCCC2C)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,NIBLGTOPDMXKNI-UHFFFAOYSA-N
-rxn:4:209896:222606,CC(C)(C)NC(=O)c1c(-c2cnn(C3CCOC4(CCOCC4)C3)c2)cccc1C(F)(F)F,XEBHCJVHLFAXCH-UHFFFAOYSA-N
-rxn:4:210694:222389,CC1OCC2(c3c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cnn3C)OC12,OUWFVVRBORRLON-UHFFFAOYSA-N
-rxn:4:210833:223823,Cn1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C12CCCCC1O2,NRDKXBPQGZQHCW-UHFFFAOYSA-N
-rxn:4:211060:224765,CN1CCN(C2CCCc3cc(-c4cc(C(F)(F)F)ccc4N4CCCC4)ccc32)CC1,BDPMKPSRGPYUHX-UHFFFAOYSA-N
-rxn:4:211061:224018,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)ccc21,CHGDAFVBMGVIHL-UHFFFAOYSA-N
-rxn:4:211061:224405,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)ccc21,ZQCWEIJUTJFEAQ-UHFFFAOYSA-N
-rxn:4:211073:225223,CC1CCN(c2cc(F)c(-c3ccc4c(c3)N3CCCCC3=C(C#N)S4(=O)=O)cn2)CC1,PNMBCZVOYABIJB-UHFFFAOYSA-N
-rxn:4:211073:225227,CC1CCN(c2ncc(-c3ccc4c(c3)N3CCCCC3=C(C#N)S4(=O)=O)cc2Cl)CC1,GNPWLADGVNRVLA-UHFFFAOYSA-N
-rxn:4:211097:225090,CCOCc1cc(OC)c(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)c(OC)c1,LZHVMLFPDATRAS-UHFFFAOYSA-N
-rxn:4:211101:223712,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)cc1C12CC3CC(CC(C3)C1)C2,OCCVFSZFANBBIG-UHFFFAOYSA-N
-rxn:4:212283:223602,CN1C(=O)COc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cnc21,LMTKLADFGSDHCZ-UHFFFAOYSA-N
-rxn:4:212527:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(C(=O)COc5ccc(Cl)cc5)C4)c3)c(F)cc2C)CC1,HSVURYOPSZFBGF-UHFFFAOYSA-N
-rxn:4:212537:225333,Cc1nc(-c2ccc(COCC(F)(F)F)c(F)c2)cn1CCN(C)C(=O)OC(C)(C)C,ZQGJVAVWUFMQCT-UHFFFAOYSA-N
-rxn:4:212542:225875,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,HQMBXYIAZXFHBJ-UHFFFAOYSA-N
-rxn:4:212569:225338,O=C(CSC1CCCC1)N1CC(Cn2cc(-c3ccc(F)c(COCC(F)(F)F)c3)cn2)C1,LFSQLRJOBOTEBA-UHFFFAOYSA-N
-rxn:4:212576:222647,Cc1cc(-c2cnn(CC3CN(C(=O)C(C)Oc4ccccc4)C3)c2)c(C)cc1NC(=O)OC(C)(C)C,UVQBLVTZJZCNSO-UHFFFAOYSA-N
-rxn:4:212582:223881,Cc1ccc2cc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)cc3)n(C(=O)OC(C)(C)C)c2c1,RHPBJRZOJYFRQU-UHFFFAOYSA-N
-rxn:4:212584:223105,CNS(=O)(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)c(F)cc1C,DDMJQSJGWOYZGF-UHFFFAOYSA-N
-rxn:4:212602:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cnc(OC2CCN(C(=O)COc3ccccc3)CC2)nc1,VMYQOZKFHTWFDE-UHFFFAOYSA-N
-rxn:4:212605:223122,CC(C)C(=O)Nc1cccc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)C2)c1,MTAUZNGNKMUNJV-UHFFFAOYSA-N
-rxn:4:212619:222439,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cn2)C1,RFTDJRCLMWRAOF-UHFFFAOYSA-N
-rxn:4:212643:225159,COc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cn3)CC2)cc1,CGIBMRGJRODEEE-UHFFFAOYSA-N
-rxn:4:212649:225313,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C)CC4)nc3F)cn2)C1,NTPOFTVBUIJCKY-UHFFFAOYSA-N
-rxn:4:212650:223812,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,RDAPJJVFDSMWAZ-UHFFFAOYSA-N
-rxn:4:212666:222851,CCc1cc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)nc2)cc(C2CCNCC2)n1,PODZYZJXWQXNIT-UHFFFAOYSA-N
-rxn:4:212693:226792,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cnc(N3CCOCC3)nc2)c1,WODKKPLCPBOVED-UHFFFAOYSA-N
-rxn:4:212715:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3cccc(Cl)c3)cc2)CC1,PYTRBQFXSFRHDL-UHFFFAOYSA-N
-rxn:4:212732:223813,O=C(c1ccc(S(=O)(=O)c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc2)nc1)N1CCN(Cc2ccccc2)CC1,FSFNVIVYWKKUHL-UHFFFAOYSA-N
-rxn:4:212737:224020,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc4ccc5cccc6ccc3c4c56)c2)CC1,GMAZWIILCHMBSY-UHFFFAOYSA-N
-rxn:4:212738:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,CYKJCQREZQHLFO-UHFFFAOYSA-N
-rxn:4:212751:225174,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(F)cc3CN3CCOCC3)c2)CCN1C(=O)OC(C)(C)C,YMOVRMHNQOBDSD-UHFFFAOYSA-N
-rxn:4:212775:226530,CCOC(=O)c1cccc(-c2ccc3c(c2)sc(=NC(=O)CN2C(=O)CCC2=O)n3CCOC)c1F,BCJVBWMYNFDUOG-UHFFFAOYSA-N
-rxn:4:212827:225137,Cc1cnn(-c2ccc(-c3ccc4[nH]c(C(=O)N5CCC(N(C)C(=O)OC(C)(C)C)CC5)cc4c3)c(C#N)c2)c1,NPLMMEPGTPGTNL-UHFFFAOYSA-N
-rxn:4:212839:228360,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C(C)C)nc4Cl)ccn23)CC1,CXRPXJNVPHARAQ-UHFFFAOYSA-N
-rxn:4:212887:224590,COC(=O)CN1CCC(Cn2cc(-c3ccc(CN4CCC(C)CC4)cc3F)cn2)C1,XIWTVLKILYPJLR-UHFFFAOYSA-N
-rxn:4:212896:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccccc1-c1nnc(SCC(=O)N2CCCC2=O)o1,SHUXMQCZDRYPOQ-UHFFFAOYSA-N
-rxn:4:212909:226654,CC1CCN(c2nc(-c3cnc(OCC4CCCN(CC(F)(F)F)C4)nc3)cs2)CC1,CBQAPVCIRMPVRD-UHFFFAOYSA-N
-rxn:4:212917:225195,COC(=O)CN1CCC(Cn2cc(-c3ccc(F)c(OC4CCCCO4)c3)cn2)CC1,MFYFCJVYCMFYFW-UHFFFAOYSA-N
-rxn:4:212935:224317,CN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cnc3N3CC(COc4cccnc4)C3)c(F)c2)CC1,DYLQVCYYCVSFQP-UHFFFAOYSA-N
-rxn:4:212936:223602,CC(=O)OCCN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,SCULPVRQHPODDJ-UHFFFAOYSA-N
-rxn:4:212944:223698,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)CC1,CTTNMCZFZYBJBH-UHFFFAOYSA-N
-rxn:4:212944:226017,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(OC(F)(F)F)c(OC)c2)CC1,MMMXJZGOVMUSOM-UHFFFAOYSA-N
-rxn:4:212988:226471,CN(C)CCOc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cn1,OAHYBWILXSGCGW-UHFFFAOYSA-N
-rxn:4:213011:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c(F)c2)CC1,PGFHDWVHJNIVHA-ANRZFKABSA-N
-rxn:4:213011:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c(Cl)c2)CC1,NDQPKURFGNXSAH-UHFFFAOYSA-N
-rxn:4:213052:224804,CC(C)Oc1ccc(-c2cnc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)nc2)cc1OC(F)(F)F,ROOCCAWAFMHBKN-UHFFFAOYSA-N
-rxn:4:213074:222912,CC(C)CNS(=O)(=O)c1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,JLWOTDQVIZOFBN-UHFFFAOYSA-N
-rxn:4:213081:224280,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2C#N)CC1,AXFPTWGGFJPBRJ-UHFFFAOYSA-N
-rxn:4:213127:226438,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(C4CCCC4)cc3F)ccn2)CC1,DMAUSSMMSYYTOV-UHFFFAOYSA-N
-rxn:4:213127:226662,CN1CCN(c2ccc(-c3ccnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)CC1,AEGDLNPOAAUNDA-UHFFFAOYSA-N
-rxn:4:213131:222634,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,HSTGPMYMYGPNLS-UHFFFAOYSA-N
-rxn:4:213136:226371,Cc1cc(N2CCCC2)ncc1-c1cnc(OCC2CCCN(CC3CCCO3)C2)nc1,SPEZRKDVHZCVPL-UHFFFAOYSA-N
-rxn:4:213136:226778,COc1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)c(F)c(F)c1OC,UJRCUMGQKQLZGP-UHFFFAOYSA-N
-rxn:4:213137:226502,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccn(C(=O)OC(C)(C)C)c1,XFKKPCYWVUNUSI-UHFFFAOYSA-N
-rxn:4:213138:225984,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(Cl)c(N4CCOCC4)c3)cnc2F)CC1,XABUEGPCZQMNPM-UHFFFAOYSA-N
-rxn:4:213178:225300,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OC5CCOCC5)nc4F)cn3)C2)c(C)o1,YUQSTXLASOHBCH-UHFFFAOYSA-N
-rxn:4:213192:225984,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,ADBOEODEHUYLNJ-UHFFFAOYSA-N
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-rxn:4:213213:226844,CN(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,BGESADFITHXGJT-UHFFFAOYSA-N
-rxn:4:213214:223167,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCNCC4)c3)n2)CC1,LGUWBEZTEBFZIO-UHFFFAOYSA-N
-rxn:4:213215:227467,COCCOc1cnccc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,VZTIUZHIIHIXEP-UHFFFAOYSA-N
-rxn:4:213236:222853,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(CN5CCC(O)CC5)cc4)cn3)C2)cc1C,SHQWKNJSNMGWPB-UHFFFAOYSA-N
-rxn:4:213237:223294,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)[nH]1,HQGANDPWPNBRFB-FQEVSTJZSA-N
-rxn:4:213264:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccc(CC(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1,GHGMDZDJNMXNRK-UHFFFAOYSA-N
-rxn:4:213266:228337,CCOc1cc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)cn1,UBXKTSFXRLWMQE-UHFFFAOYSA-N
-rxn:4:213291:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3ccc(CC(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)c2)cc1,SGRQTAOFPVDQHA-UHFFFAOYSA-N
-rxn:4:213373:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccnc3OC3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)c(F)cn2)CC1,KOUIMGQMWWTUPE-UHFFFAOYSA-N
-rxn:4:213462:223489,Cc1ccc(Cn2c(SCc3cccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)c3)nc3c(sc4ncccc43)c2=O)cc1,CNBAPJPSFMODHN-UHFFFAOYSA-N
-rxn:4:213471:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)CC1,SQDKLKCDAWVOGK-UHFFFAOYSA-N
-rxn:4:213472:227533,COC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1,RAYMEAKTLHEDMP-UHFFFAOYSA-N
-rxn:4:213480:224330,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)N5CCC(=O)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FOVGRWHDYACDCZ-KIESAQMKSA-N
-rxn:4:213480:224691,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FZTHUYSJEFSVJO-ZEUROAAHSA-N
-rxn:4:213480:224764,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCOCC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,AYHHLXSVXHKOIG-SIGULORKSA-N
-rxn:4:213480:226664,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(N5CCCC5)ncc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZJNVLPZLNSWYBV-UCKIBBKRSA-N
-rxn:4:213537:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(-n4ccc(C=C(C#N)C#N)c4)cc3)cn2)CC1,SWYLMOBMVWKGJE-UHFFFAOYSA-N
-rxn:4:213661:222546,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,RYEFMEOTYXXHPV-UHFFFAOYSA-N
-rxn:4:213687:222630,COCCN1CCN(c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)CC1,JSKFEECIGWBPFK-UHFFFAOYSA-N
-rxn:4:213718:222947,OC1CCCN(c2ncc(-c3cnn(CC4CN(CC5COCCO5)C4)c3)c(Cl)n2)C1,FWBWQXFQFYERFS-UHFFFAOYSA-N
-rxn:4:213740:223841,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)C3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,ABCIYEFIHNVDSO-UHFFFAOYSA-N
-rxn:4:213771:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)C(C)C)CC3)nc2)cc1F,KYAVUGRRLTXDLG-UHFFFAOYSA-N
-rxn:4:213838:222584,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,OZKHHXFBGXAUGP-UHFFFAOYSA-N
-rxn:4:213863:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)ccc2C)CC1,NKQAKHILJIPDRV-UHFFFAOYSA-N
-rxn:4:213863:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)c2)CC1,UDVANTUOAPPBBS-UHFFFAOYSA-N
-rxn:4:213872:225192,Fc1cnc(OC2CCCCC2)cc1-c1cnn(CC2CN(CC3CCCCC3)C2)c1,KUCNASBLRLXFGB-UHFFFAOYSA-N
-rxn:4:213872:225226,CC1CCN(c2cc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)c(F)cn2)CC1,RODBCDVWHMWTMJ-UHFFFAOYSA-N
-rxn:4:213882:222723,O=S1(=O)CCC(CN2CC(Cn3cc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)CC1,GZULDIVLIQANOQ-UHFFFAOYSA-N
-rxn:4:213897:225975,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccnc(N3CCOCC3)c2Cl)CC1,MSYOYKCWLFWMDH-UHFFFAOYSA-N
-rxn:4:213901:225980,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,NENCOIUOUUDEQK-UHFFFAOYSA-N
-rxn:4:213928:223579,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)C2)n1,MRSCOXBSCCXKKX-UHFFFAOYSA-N
-rxn:4:213932:226129,O=C(C1CN(c2ncc(-c3cccc(CN4CCCC4)c3)cc2C(F)(F)F)CCO1)N1CCCC1,TWHCVEMMWIFRDA-UHFFFAOYSA-N
-rxn:4:213938:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,YEYYCTUPUJEKFP-UHFFFAOYSA-N
-rxn:4:213938:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)cc2)CC1,NRHRIQOMLTWZHD-UHFFFAOYSA-N
-rxn:4:213969:223815,O=C(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,RUFPLILOUQLKGV-UHFFFAOYSA-N
-rxn:4:213971:224594,CC(=O)N1CCCCC1c1ccccc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,GBVOYVBEODCKHH-UHFFFAOYSA-N
-rxn:4:213973:223802,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)CCO1)N1CCSCC1,NLFZTKZAKQGJDB-UHFFFAOYSA-N
-rxn:4:213974:225979,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,MWOSYGZPEZNIMW-UHFFFAOYSA-N
-rxn:4:213980:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,YUPVFKWVWGSQRN-UHFFFAOYSA-N
-rxn:4:213989:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(OCC2CCCN(C3CCOCC3)C2)nc1,ZYTDBKIYLUECGT-UHFFFAOYSA-N
-rxn:4:213997:223093,CC1CN(c2ccncc2-c2cncc(NS(=O)(=O)C(C)C)c2)CCN1C(=O)OC(C)(C)C,PWYOKEMYHDLGGA-UHFFFAOYSA-N
-rxn:4:213999:222899,CCCCNS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1,KMDBHYACBARWIE-UHFFFAOYSA-N
-rxn:4:214033:223146,CC(C)[C@H]1COC(c2cc(-c3cccc(C4CNCCO4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KRWOWVMENRVTRN-AEAWWFNXSA-N
-rxn:4:214033:227060,Cc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1OC(C)C,BBSIZODQUXFIEU-DNQXCXABSA-N
-rxn:4:214033:227483,COC(=O)Cc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cn1,GEVYEIPTFHBKPF-FGZHOGPDSA-N
-rxn:4:214038:224590,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(CN5CCC(C)CC5)cc4F)cn3)C2)cc1C,QCIDIQNCKJIIIQ-UHFFFAOYSA-N
-rxn:4:214045:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(CN4CCC(Cn5nc(C)cc5C)CC4)cc3)cc2)C1,GRXSJJYUNVTQMB-UHFFFAOYSA-N
-rxn:4:214071:223076,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,KRNAKTOLPDVBRL-UHFFFAOYSA-N
-rxn:4:214190:223775,COc1ccc2c(c1)c(-c1cccc3c1ccn3CC(=O)N1CCN(C(C)=O)CC1)cn2C(=O)OC(C)(C)C,HFTQQMGSMAMMPE-UHFFFAOYSA-N
-rxn:4:214212:224247,CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)c(F)c2)CC1,ACLGBYUPDCBVNJ-UHFFFAOYSA-N
-rxn:4:214257:222997,CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccc(-c2ccc(Cl)cc2C2CCCNC2)cn1,HTAZAYQDANQQJN-UHFFFAOYSA-N
-rxn:4:214293:222815,Cc1cccc(C)c1-n1nc2c(c1-c1ccc(S(=O)(=O)NC(=O)C(C)C)cc1)CN(C(=O)OC(C)(C)C)C2,LYJMDJNHFKSOAL-UHFFFAOYSA-N
-rxn:4:214296:224075,CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(-c4ccc5ccn([Si](C)(C)C(C)(C)C)c5c4)cc23)CC1,XUQUGQLKZLEWKB-UHFFFAOYSA-N
-rxn:4:214308:224406,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)ccc21,QYLGOVLYYRFQNU-UHFFFAOYSA-N
-rxn:4:214379:226221,Cc1c(Cl)c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cc2cccnc12,KRXHKVVZXJNTPE-UHFFFAOYSA-N
-rxn:4:214389:226520,COc1ccc(-c2ccc3c(c2)C2(C(=O)N3CCC(C)C)c3[nH]c4ccccc4c3CCN2C(C)=O)c(OC)c1OC,QNQZYOCKBONPTO-UHFFFAOYSA-N
-rxn:4:214551:222426,Cc1nc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)nn1CCC(C)C,UEWIMFDIDMISBQ-UHFFFAOYSA-N
-rxn:4:214585:222522,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)N1CCC(O)CC1,LJNLDCYVGSZHEI-UHFFFAOYSA-N
-rxn:4:214630:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c(F)ncc21,HEUJJRLOQKETJB-UHFFFAOYSA-N
-rxn:4:214631:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,YOAAHUXGELVRCO-UHFFFAOYSA-N
-rxn:4:214694:224371,COC(=O)C1CCN(c2ncc(-c3cnn(CC4CN(C(C)C)CCO4)c3)cn2)CC1,OHZIJSIGUYGQNM-UHFFFAOYSA-N
-rxn:4:214699:223712,CCN1CCN(Cc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)CC1,OLCPHCZGDCDXFC-UHFFFAOYSA-N
-rxn:4:214711:223844,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)CC1,GXHINNWYDXBNBB-UHFFFAOYSA-N
-rxn:4:214715:222637,CCN1CCN(c2cc(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)cc(F)c2[N+](=O)[O-])CC1,IKDKESLJHOPSKT-UHFFFAOYSA-N
-rxn:4:214771:222724,CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,IDNYJHXZEYGKKT-UHFFFAOYSA-N
-rxn:4:214786:222724,O=C1CN(S(=O)(=O)c2ccccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CCN1c1cccnc1,HZLZUZGKVZKPRI-UHFFFAOYSA-N
-rxn:4:214786:224349,O=C1CN(S(=O)(=O)c2ccccc2-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)CCN1c1cccnc1,WACVSPBPRUQCKV-UHFFFAOYSA-N
-rxn:4:214803:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2)CC1,WKADVCHVVBURAO-UHFFFAOYSA-N
-rxn:4:214821:224933,O=S(=O)(C1CC1)N1CCCN(c2ncc(-c3ccc(OCCN4CCCC4)cc3)cc2F)CC1,AZXPACVCVQFSHJ-UHFFFAOYSA-N
-rxn:4:214829:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,IVAQRVBSASGFDM-RSSXGHEXSA-N
-rxn:4:214838:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c2Cl)CC1,DQLFGQDKFAFGNB-UHFFFAOYSA-N
-rxn:4:214839:222586,O=C(NCCc1ccc(F)cc1)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)s1,NTJVJRRGMJLEHX-UHFFFAOYSA-N
-rxn:4:214839:222596,O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,CVRGLCGNJHUBSH-UHFFFAOYSA-N
-rxn:4:214839:227213,CCCCSc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,JPBPXXKWKNNXKP-UHFFFAOYSA-N
-rxn:4:214862:223766,CC(C)(C)OC(=O)n1c(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc2cc(C#N)ccc21,NZDMPKRIWOCIPY-UHFFFAOYSA-N
-rxn:4:214868:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1OCC,PIDGFRLCMMZUPN-UHFFFAOYSA-N
-rxn:4:214868:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,UGPPVKMQPRMCFW-UHFFFAOYSA-N
-rxn:4:214868:226231,CCCCOc1ncc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,IMSVOMXUVDUDNL-UHFFFAOYSA-N
-rxn:4:214872:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,NNNQDMPOGSOJRH-UHFFFAOYSA-N
-rxn:4:214873:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,HSIKIZFLILYTJM-UHFFFAOYSA-N
-rxn:4:214874:225542,CCCCCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c(F)c1F,UKULXZFMMNFEFF-UHFFFAOYSA-N
-rxn:4:214884:224487,O=C(C1CCN(c2ncc(Cl)cc2-c2cccc(OCCN3CCCCC3)c2)CC1)N1CCC(F)(F)CC1,YNBIYYXYLXFGSD-UHFFFAOYSA-N
-rxn:4:214886:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,WEDWQGCZBLBYNU-UHFFFAOYSA-N
-rxn:4:214896:222580,Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,CYTJNBRZHAMGLZ-UHFFFAOYSA-N
-rxn:4:214900:224602,CN1CCN(Cc2ccc(-c3ccc4cnn(C5CCCCO5)c4c3)cc2N2CCCCC2)CC1,FOVKEDDREJGESK-UHFFFAOYSA-N
-rxn:4:215077:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCn5nc(C6CC6)cc5C4)o3)cc2)CC1,UHZHLILAZIOYFN-UHFFFAOYSA-N
-rxn:4:215140:222712,CN1CCN(C(=O)Cn2ccc3ccc(-c4ccc(NC(=O)OC(C)(C)C)c(F)c4F)cc32)CC1,OSYDWFZRMRVPCE-UHFFFAOYSA-N
-rxn:4:215148:223018,CC(C)(C)OC(=O)N1Cc2cnc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)n2CC1(C)C,RFTRYQOWNYFESD-UHFFFAOYSA-N
-rxn:4:215153:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,QWXYKEABLDAHAV-UHFFFAOYSA-N
-rxn:4:215166:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2C(=O)N2C3CCC2CC(n2cccn2)C3)CC1,DZFQWPHPSHOVHX-UHFFFAOYSA-N
-rxn:4:215170:227496,CCN(C)c1cc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)cn1,FNLJAXUFHPNCAR-UHFFFAOYSA-N
-rxn:4:215238:224689,Cc1cc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)cc3)CC2)nc2c(C)cccc12,CPKXAKUYNYVCFS-UHFFFAOYSA-N
-rxn:4:215309:225293,CC(C)Oc1cc(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)ccc1C(F)(F)F,HDFJWHHTINWRKX-NRFANRHFSA-N
-rxn:4:215775:223598,N#Cc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cnc1N1CCCCC1,KVMFQQGXJPAHTI-UHFFFAOYSA-N
-rxn:4:215780:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)c3ccccc23)CC1,UYOSMRFMNRITET-UHFFFAOYSA-N
-rxn:4:215822:222465,c1c(-c2nc(C3CC3)cc(N3CCCC3)n2)cc(C2CCCNC2)nc1C1CCCCC1,GNFTXVTXINNCRW-UHFFFAOYSA-N
-rxn:4:215826:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC)nc3N3CCCCC3)c(F)c2)CC1,UCFSUBJPURFZMI-MEMLXQNLSA-N
-rxn:4:215904:223828,CCN1CCN(c2cc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc(C(F)(F)F)c2)CC1,BOPMIYIBXWCWGK-UHFFFAOYSA-N
-rxn:4:215907:222694,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,GLMFXTWTKCHMLH-UHFFFAOYSA-N
-rxn:4:215912:224659,CN1CCN(C(=O)c2cccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c2)CC1,WQMATKXZHBIKSW-UHFFFAOYSA-N
-rxn:4:215922:222614,CC1CCCCN1C(=O)c1cnn(C)c1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F,MKUMQNWBTDOHLL-UHFFFAOYSA-N
-rxn:4:215966:223712,COc1ccc(-c2nc(C3CC3)cc(N3CCC(C)CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,AMEPXOHJBMZBKM-UHFFFAOYSA-N
-rxn:4:215982:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(N3CCCC(C)C3)nc(C(C)C)n2)cc1,CWTNCLOGKZVVEH-UHFFFAOYSA-N
-rxn:4:216211:223815,COc1ccnc2c1c(-c1ccc(Cl)c(CN3CCC4(CC3)OCCO4)c1)nn2C1CCCCO1,NRDHGOLVYPGAKS-UHFFFAOYSA-N
-rxn:4:217765:223528,Cc1nc(N2CCC2)c2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2n1,JOZIEDXFHCZKEN-UHFFFAOYSA-N
-rxn:4:217765:223536,Cc1nc(N2CCC2)c2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2n1,BWWCRNTVFYCMKO-UHFFFAOYSA-N
-rxn:4:217889:223992,Cc1ccc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc1S(=O)(=O)N1CCN(C)CC1,QCZXXSSHFZKQPZ-UHFFFAOYSA-N
-rxn:4:218560:224162,Cc1noc(C)c1CCC(=O)N1CC(Cn2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cn2)C1,ZNZZJUUBMCXRPX-UHFFFAOYSA-N
-rxn:4:218604:222651,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cn3)CC2)cn1,XIMLRIMDCYNRMC-UHFFFAOYSA-N
-rxn:4:218606:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OCC2CCCN(C(=O)c3cccnc3OC)C2)nc1,VYXPGSKIRKKFQW-UHFFFAOYSA-N
-rxn:4:218630:224676,COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCN(C)CC3)o2)CC1,PWOTXONTBXXONQ-UHFFFAOYSA-N
-rxn:4:218666:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)C3)c2)CC1,GOQHZYIFHRGVGB-UHFFFAOYSA-N
-rxn:4:218711:226808,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(Cl)c(-n4cccn4)c3)CC2)CC1,PIENJGUEIIIJTJ-UHFFFAOYSA-N
-rxn:4:218754:225154,COc1cc(-c2cnn(C)c2)cc(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)c1,WRRYNZBDBRLEQO-UHFFFAOYSA-N
-rxn:4:218801:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CC(COc5cccnc5)C4)c(C#N)c3)cn2)CC1,MPNUHKALGHJRPM-UHFFFAOYSA-N
-rxn:4:218831:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)cc2)CC1,JOCJRPMUMCTRRD-UHFFFAOYSA-N
-rxn:4:218867:223133,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3N3CCNCC3)c2)no1,NOSNZYJUUVQTGO-UHFFFAOYSA-N
-rxn:4:218867:225600,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3OC3CCCCC3)c2)no1,HGFHOBWTMPEHBL-UHFFFAOYSA-N
-rxn:4:218868:223056,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCC(O)CC4)nc3)cc2)no1,HFDJLXLNUAPVJU-UHFFFAOYSA-N
-rxn:4:218868:225828,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCCC4)nc3)cc2)no1,OZJFAZOJJSWOPP-UHFFFAOYSA-N
-rxn:4:218903:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2C#N)CC1,BOHHNIQRLNIXMR-UHFFFAOYSA-N
-rxn:4:218917:223118,CCCC(=O)Nc1cccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,DSHUYGWCPKZOJM-UHFFFAOYSA-N
-rxn:4:218919:224686,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(C(=O)N4CCCCC4)cc3F)C2)cn1,BICGCIIRADTSOG-UHFFFAOYSA-N
-rxn:4:218922:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(OCC2CCN(c3ncccc3C(F)(F)F)CC2)nc1,UVPXUOINHSWSJY-UHFFFAOYSA-N
-rxn:4:218991:226836,CC(C)n1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)n1,WHYUZXOIYVLODW-UHFFFAOYSA-N
-rxn:4:218992:228306,CC(C)Sc1ncc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cn1,RAQRTEHXBVEJJE-UHFFFAOYSA-N
-rxn:4:218995:224318,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)o3)CC2)n1,OQOLXQCEWSLVPI-UHFFFAOYSA-N
-rxn:4:219016:222704,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)c2)C1,DFSVERKBQPSUQF-UHFFFAOYSA-N
-rxn:4:219038:223812,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,FTOBPYYHZNIQTG-UHFFFAOYSA-N
-rxn:4:219044:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)c2)C1,MBPNBNDWIYLDFG-UHFFFAOYSA-N
-rxn:4:219046:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1F,DOMCCYTUTXSYDJ-UHFFFAOYSA-N
-rxn:4:219062:225233,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cnc(Cl)c(N3CCCC(C)C3)c2)C1,KACUNSKTVPNKPC-UHFFFAOYSA-N
-rxn:4:219066:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnc(OC2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)nc1,KCRRFLQRXCCHGD-UHFFFAOYSA-N
-rxn:4:219072:222504,O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)ccc1F,LLDGAYDBLOYKEI-UHFFFAOYSA-N
-rxn:4:219093:222696,CCC(=O)C1=C(c2ccc(-c3ccc(F)c(C(=O)N4CCC(O)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,WRPGZSRRBMOUBW-UHFFFAOYSA-N
-rxn:4:219128:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c(F)c2)CC1,VFIDHRLLNVYVMM-UHFFFAOYSA-N
-rxn:4:219129:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)c1,QSRDRGSJRZXIAC-UHFFFAOYSA-N
-rxn:4:219174:224404,O=C(CCc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1)N1CCCc2cnc(N3CCOCC3)nc21,LZLGNQADHZGPMM-UHFFFAOYSA-N
-rxn:4:219271:225716,COCCOCc1cc(F)ccc1-c1cnc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1,FVTLNWRFPVTBPR-UHFFFAOYSA-N
-rxn:4:219338:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cnc(OC2CCN(C(=O)N(C)C)CC2)nc1,DFKQVXHSQGHBOI-UHFFFAOYSA-N
-rxn:4:219340:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)cc2)CC1,VZLXSYGMWGQKPC-UHFFFAOYSA-N
-rxn:4:219385:223670,CCc1ncnc(N2CCC(Oc3ccncc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1F,HETGUECPRAHQSQ-UHFFFAOYSA-N
-rxn:4:219388:224330,O=C1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)ccc2Cl)CC1,PDEGAYYANJMEFO-UHFFFAOYSA-N
-rxn:4:219405:224718,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCN4CCOCC4)nc3)n2)CC1,VAXDWZYIVDQAHE-UHFFFAOYSA-N
-rxn:4:219464:223532,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,SBLZMGYWJIQJNX-UHFFFAOYSA-N
-rxn:4:219473:225313,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(N2CCN(C)CC2)nc1F,MEWNKOYGXMGABY-UHFFFAOYSA-N
-rxn:4:219488:224761,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1,NTFNWUPBNYHALW-IBGZPJMESA-N
-rxn:4:219498:227611,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccnn1C1CCCCO1,VDHKTSHEXKVVJB-UHFFFAOYSA-N
-rxn:4:219532:224022,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CKPYYUYNBSTZPW-UHFFFAOYSA-N
-rxn:4:219535:225213,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c(Cl)c2)CC1,QCOLNAKZIFTRSU-UHFFFAOYSA-N
-rxn:4:219535:225228,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c(F)c2)CC1,CPXUUAIHYYMEHI-UHFFFAOYSA-N
-rxn:4:219630:224718,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(OCCN5CCOCC5)nc4)cc23)CC1,VVHDCLOPGQMSLJ-UHFFFAOYSA-N
-rxn:4:219642:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnccc1OC1CCN(c2nc3c(cc2C#N)CCC3)C1,MUPQAOZBJLVGMU-UHFFFAOYSA-N
-rxn:4:219654:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,DMGYPRCWGWIABD-UHFFFAOYSA-N
-rxn:4:219654:224665,CN1CCN(Cc2cc(F)ccc2-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)CC1,IXDLWFIFCLTVRO-UHFFFAOYSA-N
-rxn:4:219704:223006,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3n2)CC1,UWZBVEHRPBSMPE-UHFFFAOYSA-N
-rxn:4:219719:223844,O=c1n(Cc2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c2)nc2c(S(=O)(=O)N3CCCCC3)cccn12,HDCGCQCHXBLGMF-UHFFFAOYSA-N
-rxn:4:219748:224666,CN1CCN(Cc2cc(-c3ccc(-c4cc(C(F)(F)F)n5nc(C(=O)N6CCCCCC6)cc5n4)cc3)ccc2F)CC1,YGCAFGZEBWITIA-UHFFFAOYSA-N
-rxn:4:219748:225161,O=C(c1cc2nc(-c3ccc(-c4ccc(F)c(C(=O)N5CCCC5)c4)cc3)cc(C(F)(F)F)n2n1)N1CCCCCC1,JUVUECOGOKNONM-UHFFFAOYSA-N
-rxn:4:219867:223687,CCN1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1,BZEWUNXKXQLETA-UHFFFAOYSA-N
-rxn:4:219904:222585,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)CC1,LHAVADZOYSICKD-UHFFFAOYSA-N
-rxn:4:219904:224015,Cc1cc(F)c(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)cc1S(=O)(=O)N1CCOCC1,SIFLSVWMTBHCFQ-UHFFFAOYSA-N
-rxn:4:219917:224405,O=C1CN(S(=O)(=O)c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CCN1c1ncc(F)cn1,BBXNRWHFNJXKHN-UHFFFAOYSA-N
-rxn:4:219937:224325,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)n3)C2)c1,GGEDOGHZFQLMRH-UHFFFAOYSA-N
-rxn:4:219959:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,CGYXUKYKNVCWFM-UHFFFAOYSA-N
-rxn:4:219975:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1OCC,AQUNRXOLIUSFCB-UHFFFAOYSA-N
-rxn:4:219988:223945,O=C(C1CCCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1)N1CCOCC1,DPUXJCSTMQZMSC-UHFFFAOYSA-N
-rxn:4:220131:224397,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cnc1N1CC(N2CC3CCCC3C2)C1,XFXZKZQWTZMIDI-UHFFFAOYSA-N
-rxn:4:220136:225160,O=C(c1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1Cl)N1CCCC1,VLERTNXICLPCRH-UHFFFAOYSA-N
-rxn:4:220136:225161,O=C(c1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1F)N1CCCC1,RBOODIFPVGDVHC-UHFFFAOYSA-N
-rxn:4:220136:225162,O=C(c1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1Cl)N1CCCC1,FIINVHOZDLQYEY-UHFFFAOYSA-N
-rxn:4:220137:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)ccn1,CJJWXGHWCWTNQN-UHFFFAOYSA-N
-rxn:4:220430:222948,OC1CCN(c2ncc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c(Cl)n2)CC1,OQYIOVHJSVZKAC-UHFFFAOYSA-N
-rxn:4:220444:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc4[nH]nc(C(=O)N5CCC5)c4c3)c(F)cn2)CC1,GFPDEXPPUKCYRY-UHFFFAOYSA-N
-rxn:4:220941:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CC5C(=O)N(C)C(=O)C5C4)nc3)c(F)c2)CC1,JRJFRMQOSJGNNK-TYXODJIASA-N
-rxn:4:221099:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nc5C(F)F)C4)nc3)c(Cl)c2)CC1,CIDRHWDRDJZOEC-UHFFFAOYSA-N
-rxn:4:221110:229052,CCCn1nccc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,BQHSSMJNNAQPKH-UHFFFAOYSA-N
-rxn:4:221152:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c(F)c2)CC1,LVFWVGNDIADYKT-GLQXSRQHSA-N
-rxn:4:221165:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)C4)nc3)c2)CC1,YWKMSGYTLMWVLA-UHFFFAOYSA-N
-rxn:4:221175:228260,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C(C)(F)F)c4)cn3)C2)C(=O)C1=O,CKGWVMVSIZXXAA-UHFFFAOYSA-N
-rxn:4:221176:225160,Cc1nc(N2CCCC(COc3ncc(-c4ccc(Cl)c(C(=O)N5CCCC5)c4)cn3)C2)cc(C(F)(F)F)n1,SPLXCGZGUPZDBW-UHFFFAOYSA-N
-rxn:4:221180:222696,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCC(O)CC5)c4)cn3)CC2)nn1C,RBSWFKLSTHXPQK-UHFFFAOYSA-N
-rxn:4:221181:222546,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)nn1C,FANQGEGYSPBGEU-UHFFFAOYSA-N
-rxn:4:221185:222720,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(N5CCNCC5)cc4C(F)(F)F)cn3)CC2)n1,QUGQAQKFMYEFBC-UHFFFAOYSA-N
-rxn:4:221190:223682,O=C(c1ccc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)o1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1,DTGCKZMCFYJCMA-UHFFFAOYSA-N
-rxn:4:221201:224959,C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(-c3ccc(OCC4CCCCO4)cc3)cc2)CCN1c1ccc(C(F)(F)F)cn1,CUQGURGAYSIZDL-ZCQJSQKNSA-N
-rxn:4:221227:222634,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KFAGNFSPMQMYGM-UHFFFAOYSA-N
-rxn:4:221375:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)c2)CC1,NNHBLFXLDWOEPV-UHFFFAOYSA-N
-rxn:4:221394:222800,Cc1cc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)NC(C)C,MXCFKZDRXYAVPN-UHFFFAOYSA-N
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-rxn:4:221427:222870,CC(C)CNC(=O)c1cc(F)cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1,UEURCMJVIQVSAK-UHFFFAOYSA-N
-rxn:4:221429:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,PQCYXWJZLZDCBZ-UHFFFAOYSA-N
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-rxn:4:221439:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1,XVVNQJNFATZEGE-UHFFFAOYSA-N
-rxn:4:221439:227578,COc1cc(OC)c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)cc1Cl,KGWOQBLPWYGZCM-UHFFFAOYSA-N
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-rxn:4:222009:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)CC1,NQNQXZKAJQEWFH-UHFFFAOYSA-N
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-rxn:4:222089:224572,CC1CCCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(C#N)c2)C1,FYSRBEVNAGPKGO-UHFFFAOYSA-N
-rxn:4:222108:223095,CC(=O)Nc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1[N+](=O)[O-],HNJVBEPQQWELDT-UHFFFAOYSA-N
-rxn:4:222194:224194,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc6c5CCC6)CC4)nc3)cc2Cl)CC1,FQUROORPPQVIPT-UHFFFAOYSA-N
-rxn:4:222273:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)c3)c(F)c2)CC1,YAHSATUZSDBBAY-SOAUALDESA-N
-rxn:4:222302:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)cc2F)CC1,BPGHZWCIQIGNCF-UHFFFAOYSA-N
-rxn:4:222332:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)ccc(F)c2s1,SWYDXIMNAFEANP-UHFFFAOYSA-N
-rxn:4:222332:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c2)CC1,LIQZNZVAFDISNF-UHFFFAOYSA-N
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-rxn:4:222336:223761,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(C6CCCN6C(=O)OC(C)(C)C)cc5)cn4)CC3)n2)n1,XJZZUCLNGWVPTD-UHFFFAOYSA-N
-rxn:4:222337:222741,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)n1,STMNIKQVTPTGGE-UHFFFAOYSA-N
-rxn:4:222337:225655,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cncc(N5CCC(C)CC5)c4)cn3)CC2)n1,ZVUIFJNHXAWVLJ-UHFFFAOYSA-N
-rxn:4:222362:224009,COc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCOCC1,YSKJIASBDRQXTG-UHFFFAOYSA-N
-rxn:4:222389:206670,COc1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)n1C1CCCCC1,AMFVTFPKHGRYFM-UHFFFAOYSA-N
-rxn:4:222389:215839,CN1CCC(Cn2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,OHBKUXIBWWOKTJ-UHFFFAOYSA-N
-rxn:4:222540:203835,CS(=O)(=O)N1N=C(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1c1ccco1,KWTIXZJGJXIGJU-UHFFFAOYSA-N
-rxn:4:222541:218824,CN(CC1CN(c2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,PDFIYIKTXBCRIR-UHFFFAOYSA-N
-rxn:4:222630:186954,COC(=O)C1CN(Cc2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2C)C1,VUQIDDVTOPOAFA-UHFFFAOYSA-N
-rxn:4:222810:215127,CC(C)(C)OC(=O)Nc1cc(-c2ccc3nc(N4CCN(C(=O)C5CC5)CC4)sc3c2)c(Cl)cn1,PVEUNFHRENLYGS-UHFFFAOYSA-N
-rxn:4:222851:207890,CCc1cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cc(C2CCNCC2)n1,WRBSUHZBEVEAHS-UHFFFAOYSA-N
-rxn:4:222950:215989,CONS(=O)(=O)c1cc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ccc1OC,ZNMHFSOBVKMFBL-UHFFFAOYSA-N
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-rxn:4:223080:187492,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc1,BXCCTBFOQJUCHB-UHFFFAOYSA-N
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-rxn:4:223840:206714,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)nc2)cc1S(=O)(=O)N1CCN(C)CC1,YTXLJPIJYVKLRM-UHFFFAOYSA-N
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-rxn:5:177180:226662:225833,CCOC(=O)c1c(C)cc(-c2ccc(N3CCN(C)CC3)s2)cc1-c1ccnc(N2CCCCC2)c1F,DIKSIMYZOZWRAO-UHFFFAOYSA-N
-rxn:5:177190:222984:226661,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccc(CN3CCC(O)C3)cc2)c1,DEWHCVPJKTZTLQ-UHFFFAOYSA-N
-rxn:5:177190:225464:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccc(N3CCCC(C)C3)c2)c1,OQIVIUFXLUBANK-UHFFFAOYSA-N
-rxn:5:177190:225472:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccc(N3CCCCC3C)c2)c1,DVOQUTQANCFPQJ-UHFFFAOYSA-N
-rxn:5:177190:225583:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(C(=O)N3CCCC3)c2)c1,VHRCFKSNQFBERR-UHFFFAOYSA-N
-rxn:5:177190:225621:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(OC3CCOC3)c(C)c2)c1,ZGTSZSMAUMELRF-UHFFFAOYSA-N
-rxn:5:177190:225633:225583,CCS(=O)(=O)Cc1ccc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,PMJYXODFNRWACH-UHFFFAOYSA-N
-rxn:5:177190:225805:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,XBBSHPUQKKGDJV-UHFFFAOYSA-N
-rxn:5:177190:225985:225833,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,MRUSTVWZALHOAC-UHFFFAOYSA-N
-rxn:5:177190:226446:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(C3CCOC3)nc2C)c1,LRWYXZGWQQWKLO-UHFFFAOYSA-N
-rxn:5:177190:226447:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(C3CCOCC3)c2)c1,MWQGFSGIFNKEKC-UHFFFAOYSA-N
-rxn:5:177192:223007:226662,CCOC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cc(F)cc(C3CCNCC3)c2)c1C,USYUVPCPZUAHSD-UHFFFAOYSA-N
-rxn:5:177373:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(OCC2OCCO2)c(-c2ccc(CN3CCOCC3)s2)c1,XFVZDMSJSWEOFO-UHFFFAOYSA-N
-rxn:5:177373:226835:226735,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cc(C#N)cc(C(F)(F)F)c2)ccc1OCC1OCCO1,MKCSDXDMPHPPCP-UHFFFAOYSA-N
-rxn:5:177373:227803:223064,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1OCC1OCCO1,GHKFDIKILGXTEF-UHFFFAOYSA-N
-rxn:5:177373:227804:225671,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCCC4)ncc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,SFAUTZHVTSTASR-UHFFFAOYSA-N
-rxn:5:177729:223138:225637,CN1CCN(c2ccccc2-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)CC1,TXEWYIILDUTMHX-UHFFFAOYSA-N
-rxn:5:177730:223061:225631,CN1CCN(c2ccc(-c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3C(=O)OC(C)(C)C)cc2)CC1,CQPUJRFLKFYEPN-UHFFFAOYSA-N
-rxn:5:177730:226794:225616,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccccc1C(=O)N1CCCC1,WACYUYKIMZQAJC-UHFFFAOYSA-N
-rxn:5:177731:223018:226334,Cc1cc(C(=O)N(C)C)cc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2)c1,YYZPORBZRITVJG-UHFFFAOYSA-N
-rxn:5:177732:226068:225871,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(C(=O)OC(C)(C)C)cc1-c1cccc(N2C(=O)C=CC2=O)c1,RACGPLMZEJSOEY-UHFFFAOYSA-N
-rxn:5:177733:223054:226364,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCCCC4)nc3)c2)s1)N1CCC(O)C1,FUGIUSGPUXDJRB-UHFFFAOYSA-N
-rxn:5:177733:223054:226643,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCOCC4)nc3)c2)s1)N1CCC(O)C1,AWAMWYSAIFJQNO-UHFFFAOYSA-N
-rxn:5:177733:223294:225632,CN1CCN(c2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4csc(N5CCNCC5)n4)c3)c2)CC1,DTRQXUTUUPCBIB-UHFFFAOYSA-N
-rxn:5:177733:226330:225982,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCOCC4)cc3F)c2)s1)N1CCCC1,VJMGTFVUWCDKHT-UHFFFAOYSA-N
-rxn:5:177736:223143:225639,CC1CCN(c2ncccc2-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccc(N3CCC(O)C3)c2)CC1,PCDGTWGKCYIIFO-UHFFFAOYSA-N
-rxn:5:177736:225820:225617,CC(C)(C)OC(=O)c1ccc(-c2ccc(OC3CCCCO3)cc2)c(-c2c(C3CC3)cccc2C(F)(F)F)c1,MCXXOGKCJIDBMA-UHFFFAOYSA-N
-rxn:5:177736:226144:225514,CC(C)(C)OC(=O)c1ccc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C#C[Si](C)(C)C)cc2)c1,FJHQGRIBGXGQMO-UHFFFAOYSA-N
-rxn:5:177737:223139:223054,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3)c(C(=O)OC(C)(C)C)c2)s1)N1CCC(O)C1,LBJGPDSQMWIPPA-UHFFFAOYSA-N
-rxn:5:177737:225438:222996,CC(c1ccc(-c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,MPSXEEABSOPYFE-UHFFFAOYSA-N
-rxn:5:177737:225976:226661,CN1CCN(c2csc(-c3ccc(-c4ccnc(N5CCOCC5)c4F)c(C(=O)OC(C)(C)C)c3)c2)CC1,ZPLVTSRQXVJDFM-UHFFFAOYSA-N
-rxn:5:177739:223065:225438,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccc(N3CCNCC3)cc2F)cc1)N1CCCC1,DLIAQQJQAYZFKC-UHFFFAOYSA-N
-rxn:5:177850:223202:222998,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,CSVCGOMICCZOGR-UHFFFAOYSA-N
-rxn:5:177891:223135:223288,CNS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCNC2)c1,UGSIOWJAJIXZNK-UHFFFAOYSA-N
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-rxn:5:181907:222987:222996,Cc1cc(-c2ccc(C3CCNCC3)nc2C)c(-c2ccc(F)cc2C2CCCNC2)c(C2OCCO2)c1,IVJHIFVEIPMMCZ-UHFFFAOYSA-N
-rxn:5:181907:223134:225832,Cc1cc(-c2cnccc2C2CCCNC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,AEZFMFAWLOSQMY-UHFFFAOYSA-N
-rxn:5:181907:225607:223138,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccnc(C3CCNCC3)c2)c(C2OCCO2)c1,KCBBEGHUXVUDAX-UHFFFAOYSA-N
-rxn:5:181907:225607:223142,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3CCCNC3)nc2)c(C2OCCO2)c1,YDHSOFFRCBWAJT-UHFFFAOYSA-N
-rxn:5:181907:225634:222985,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,PQEBTMMEPBVQQW-UHFFFAOYSA-N
-rxn:5:181907:225832:223140,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccnc(C3CCCNC3)c2)c(C2OCCO2)c1,IVKIFNOEHGPQGZ-UHFFFAOYSA-N
-rxn:5:181907:226382:225607,Cc1cc(-c2cnc(C3CCCCC3)nc2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,ALCQKJGWZWLRRF-UHFFFAOYSA-N
-rxn:5:181907:226686:225881,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(C3CCOCC3)nc2F)c(C2OCCO2)c1,ZBABPMYPTCNLKU-UHFFFAOYSA-N
-rxn:5:181908:223064:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,QTQYJVOQTNIGOB-UHFFFAOYSA-N
-rxn:5:181908:225394:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C3CCC3)cc(C3CC3)c2)cc(C2CCCNC2)c1,KFCDYBBVXWJLMO-UHFFFAOYSA-N
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-rxn:5:183189:222956:223001,Cc1ccc(-c2cc(-c3cc(C4CCCNC4)ccc3F)cc3c2OC(C)(C)OC3)c(C2CCCNC2)c1,RUHIRSLOXHUFDA-UHFFFAOYSA-N
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-rxn:5:188459:226583:226886,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(CN3CCOCC3)s2)cc1-c1cc(F)c(C(F)(F)F)c(F)c1,IHMLXDIOBYDXLW-UHFFFAOYSA-N
-rxn:5:188462:225834:223183,CNS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])c(C(=O)OC)cc2-c2cc(N3CCCCC3)ncc2F)c(C)c1,IMCOLXIMKVYRPC-UHFFFAOYSA-N
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-rxn:5:189211:223388:225817,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(S(=O)(=O)O)cc2)c1-c1ccc(C(F)(F)F)c(C2CC2)c1,DAUKMUSSFRKMAS-UHFFFAOYSA-N
-rxn:5:189211:225598:223343,O=C1Cc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3cccc(CN4CCSCC4)c3)cc2N1,SXMJWIDWKXEERU-UHFFFAOYSA-N
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-rxn:5:189212:228885:223061,N#Cc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C3CCNCC3)ncc2F)cc1F,AWMTZRJYPGCEKV-UHFFFAOYSA-N
-rxn:5:189321:222995:226847,CSc1ncc(C(F)(F)F)cc1-c1ccc(-c2cccc(N3CCCC(O)C3)c2)nc1C(=O)OC(C)(C)C,XYSQGSIFJJELQN-UHFFFAOYSA-N
-rxn:5:189322:222993:226847,CSc1ncc(C(F)(F)F)cc1-c1ncc(-c2cccc(N3CCCCC3O)c2)cc1C(=O)OC(C)(C)C,QNUFSKFIZWCCLY-UHFFFAOYSA-N
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-rxn:5:189334:222991:226847,CSc1ncc(C(F)(F)F)cc1-c1cc(-c2ccc(N3CCCC(O)C3)cc2)cnc1C(=O)OC(C)(C)C,LILCMPMVEFCZRJ-UHFFFAOYSA-N
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-rxn:5:189512:225593:225798,O=[N+]([O-])c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1S(=O)(=O)c1cccc(-c2ccc(OC3CCOCC3)nc2)c1,PXARTPFDRHCOIR-UHFFFAOYSA-N
-rxn:5:189513:225679:225598,O=[N+]([O-])c1ccc(-c2ccc(N3CCCCC3)cc2F)cc1S(=O)(=O)c1ccc(-c2cccc(CN3CCSCC3)c2)cc1,KNRXEKHCANXYIL-UHFFFAOYSA-N
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-rxn:5:189540:225928:226172,COC1CN(Cc2cc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)ccc2-c2cc(N3CCCC3)ccc2C)C1,LLRLFJQISUOJDP-UHFFFAOYSA-N
-rxn:5:189665:223000:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(-c2ccc(C3CCCNC3)c(F)c2)cnc1OCC1CCOCC1,SNNPXYLIZRDKKD-UHFFFAOYSA-N
-rxn:5:189665:225803:227337,CC(C)Oc1ccc(F)cc1-c1cc(-c2ccnc(OC3CCOCC3)c2)cnc1OCC1CCOCC1,BNSMMADHUUWWRA-UHFFFAOYSA-N
-rxn:5:189667:226450:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2cccc(C3(C)OCCO3)c2)c1,UDPFYNMKWNUSSJ-BHMBMEIHSA-N
-rxn:5:189718:226872:226869,O=[N+]([O-])c1cc(-c2cc(F)cc(OC(F)(F)F)c2)c(-c2cc(F)ccc2OC(F)(F)F)cc1OC1CCOCC1,CCPKNKXZMBNSJU-UHFFFAOYSA-N
-rxn:5:189826:226732:223130,N#Cc1ccc(-c2cc(-c3ccc(CN4CC(O)C4)cc3)ccc2CC(=O)N2CCOCC2)cc1C(F)(F)F,ZGIWEEDCASDIET-UHFFFAOYSA-N
-rxn:5:189829:225833:228490,COc1c(-c2cccc(S(=O)(=O)F)c2)cc(C(=O)N2CCCC2)cc1-c1ccnc(N2CCCCC2)c1F,DGCBDBRXUCRUCQ-UHFFFAOYSA-N
-rxn:5:189829:225849:228490,COc1c(-c2cccc(S(=O)(=O)F)c2)cc(C(=O)N2CCCC2)cc1-c1cnc(N2CCCCC2)cc1F,JSWDMHDWCHMJBN-UHFFFAOYSA-N
-rxn:5:189829:228258:222960,COc1c(-c2cc(C)cc(C3CCNCC3)c2)cc(C(=O)N2CCCC2)cc1-c1c(C)ccc(F)c1OC,AHBWIGHEEFGXBH-UHFFFAOYSA-N
-rxn:5:189910:223260:225684,CNC(=O)c1cc(F)cc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)c(CCN3CCOCC3)c2)c1,TZVITHBNSKVHTM-UHFFFAOYSA-N
-rxn:5:189910:226664:225833,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)c(CCN2CCOCC2)c1,FUYIUFXSKYNBQL-UHFFFAOYSA-N
-rxn:5:189952:226664:225976,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,PRAVJABWTSFDTC-UHFFFAOYSA-N
-rxn:5:190001:226321:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)N4CCCCC4)cc3-c3ccc(SC4CCCC4)nc3)c2)CCC1,WVUIPWUYNBXTDV-UHFFFAOYSA-N
-rxn:5:190128:228476:226366,COC1CCN(C(=O)c2ccc(-c3cccnc3C(F)(F)F)c(-c3ccnc(N4CCCCC4)c3)c2)CC1,AHNFIPXXDYVAET-UHFFFAOYSA-N
-rxn:5:190131:228256:226132,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4(C#N)CC4)cc3C)c2OC)cc(C)c1F,ASASIYSAFBEUGC-UHFFFAOYSA-N
-rxn:5:190196:223056:223113,CN(Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LFSRZJGALRAIBZ-UHFFFAOYSA-N
-rxn:5:190196:223062:228172,CCOc1cccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)c1F,JQVPGKDDFUTXFT-UHFFFAOYSA-N
-rxn:5:190197:225822:227284,CN(Cc1ccc(-c2cc(C#N)ncc2C2CC2)cc1-c1cccc(C(F)(F)F)c1C1CC1)C1CCOCC1,SFAISUCGGULDFI-UHFFFAOYSA-N
-rxn:5:190198:225930:227535,CCOc1cc(F)c(F)cc1-c1cccc(-c2cc(C)ccc2S(=O)(=O)N(C)C)c1CN(C)C1CCOCC1,HOMYXDQSHWIKRT-UHFFFAOYSA-N
-rxn:5:190199:225940:228009,CN(Cc1cc(-c2ccc(C3CC3)c(F)c2)ccc1-c1cc(C(F)(F)F)cnc1C1CC1)C1CCOCC1,VNVZAFGFORZWRX-UHFFFAOYSA-N
-rxn:5:190199:226645:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccnc(N2CCOCC2)c1)C1CCOCC1,SETCZWKIJJIEJX-UHFFFAOYSA-N
-rxn:5:190201:222417:225803,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccnc(OC3CCOCC3)c2)CCO1,ZHOBQKSWQOWGTN-UHFFFAOYSA-N
-rxn:5:190231:225655:225834,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCCC2)ncc1F,RTCUZVUDOFXRKD-UHFFFAOYSA-N
-rxn:5:190264:226341:226147,COc1cc(F)c(C(C)C)cc1-c1cc(CC(=O)N2CCC(C)CC2)ccc1-c1c(C)cc(OC(C)C)cc1C,NTWNCOGHLVTMOX-UHFFFAOYSA-N
-rxn:5:190264:226347:227108,Cc1cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cc(C3CCC3)ccc2F)c(OC(C)C)cc1F,AUBAHJKZMIDYRJ-UHFFFAOYSA-N
-rxn:5:190299:227292:226349,COc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1C=C1SC(=O)N(c2ccc(-c3cc(F)cc(OC(C)(C)C)c3)cc2)C1=O,ZRPVAQNPTSJWER-UHFFFAOYSA-N
-rxn:5:190335:226579:228103,COc1c(-c2cnc(CC(C)C)nc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(F)cc(C(=O)N(C)C)c1,MVOQYQCFNLZUFQ-UHFFFAOYSA-N
-rxn:5:190336:227086:226141,COc1c(-c2ccnc(C3CCCC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccccc1OC1CCCC1,LBUBALSOKWCCHC-UHFFFAOYSA-N
-rxn:5:190404:223388:225815,O=C(c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1)N1CCSC(c2ccccc2-c2ccc(C3CC3)cc2C(F)(F)F)CC1,HLGHQNSQFHGWKZ-UHFFFAOYSA-N
-rxn:5:190404:223388:225824,O=C(c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1)N1CCSC(c2ccccc2-c2cc(C3CC3)cc(C(F)(F)F)c2)CC1,MBZPGMTWWFANKE-UHFFFAOYSA-N
-rxn:5:190404:225816:223388,O=C(c1ccc(-c2cc(C3CC3)ccc2C(F)(F)F)o1)N1CCSC(c2ccccc2-c2ccc(S(=O)(=O)O)cc2)CC1,RKVQLGYIWZCNCI-UHFFFAOYSA-N
-rxn:5:190404:225820:223388,O=C(c1ccc(-c2c(C3CC3)cccc2C(F)(F)F)o1)N1CCSC(c2ccccc2-c2ccc(S(=O)(=O)O)cc2)CC1,GKTUYARCYHVUHG-UHFFFAOYSA-N
-rxn:5:190404:226765:227452,COC(=O)c1ccc(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4cccc(C5OCCO5)c4)CC3)o2)c(F)c1F,FTWCUYBNWFNWCA-UHFFFAOYSA-N
-rxn:5:190418:226662:226662,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2)C1=O,XCWYKRPCZBNBDU-UHFFFAOYSA-N
-rxn:5:190484:226662:223312,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CNC6)cc5)S(=O)(=O)CC4)c3)s2)CC1,QXUBZYPLVPILAI-UHFFFAOYSA-N
-rxn:5:190484:227449:227438,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCOC3)c2)S(=O)(=O)CC1,ODSQWIRMHQEHLF-UHFFFAOYSA-N
-rxn:5:190484:228677:226685,CC(C)Cn1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C5CCOCC5)nc4)S(=O)(=O)CC3)c2)cn1,DIUSSCKDSKOWGO-UHFFFAOYSA-N
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-rxn:5:190740:225982:223064,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,FZCVMNRWRPTQCZ-UHFFFAOYSA-N
-rxn:5:190740:226583:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)s3)cc2c1-c1ccnc(N2CCOCC2)c1F,OBTRJPHTIJRUBY-UHFFFAOYSA-N
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-rxn:5:190741:225881:223061,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,ZZKBBFWUCSXXDP-UHFFFAOYSA-N
-rxn:5:190741:225976:225881,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(C2CCOCC2)nc1F,IMIRZRZZEKKXDG-UHFFFAOYSA-N
-rxn:5:190741:225980:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,JBKXHVKZIGUEQH-UHFFFAOYSA-N
-rxn:5:190742:223061:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccnc(N2CCOCC2)c1F,CQTVPXSYMXLKLW-UHFFFAOYSA-N
-rxn:5:190742:225655:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccnc(N2CCCCC2)c1F,KMIKEGDUTWRUGT-UHFFFAOYSA-N
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-rxn:5:190743:226661:225982,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCN(C)CC4)cs3)ccc2c1-c1cnc(N2CCOCC2)cc1F,CEYBUJMKICHJCT-UHFFFAOYSA-N
-rxn:5:190797:223018:223018,CC(C)(C)OC(=O)n1ccc2c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc21,NQAOPISWFQPBDC-UHFFFAOYSA-N
-rxn:5:190833:225617:229185,CC(C)(C)OC(=O)N1Cc2c(-c3cc(F)nc(F)c3)ccc(-c3ccc(OC4CCCCO4)cc3)c2C1=O,GPTQFQTVUITROJ-UHFFFAOYSA-N
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-rxn:5:196408:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccccc2C2CNCCO2)c1,UNJKXTNVEDKDSS-UHFFFAOYSA-N
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-rxn:5:196919:222989:225986,Cc1cc(N2CCNCC2)ccc1-c1ccc(C2=NC(C)(C)CO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,QDINSLDTZXFSJA-UHFFFAOYSA-N
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-rxn:5:196922:226441:225986,O=C1CCCCN1c1cc(-c2ccc(N3CCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,DCOVYEAFWFYUMY-UHFFFAOYSA-N
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-rxn:5:226847:189319:222991,CSc1ncc(C(F)(F)F)cc1-c1ccc(-c2ccc(N3CCCC(O)C3)cc2)nc1C(=O)OC(C)(C)C,QQLKEDCNFUBFES-UHFFFAOYSA-N
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-rxn:5:227071:178295:227052,COCc1cc(C)c(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,JJJXSPBXFZJDJQ-UHFFFAOYSA-N
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-rxn:5:227361:178295:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,VJQLUPSLQMTQOA-UHFFFAOYSA-N
-rxn:5:227390:182010:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccnn2C2CCCCC2)c1,DPMKJLFJWWKWLS-UHFFFAOYSA-N
-rxn:5:227403:178353:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)s1,LULXXGKFJSPPNF-UHFFFAOYSA-N
-rxn:5:227403:194575:225871,O=C1C=CC(=O)N1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(N4CCCCC4)s2)C3)c1,HAQDNIXYZFKKFZ-UHFFFAOYSA-N
-rxn:5:227403:196918:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2c(-c3ccc(N4CCCCC4)s3)cccc2N2CCCCC2=O)c1,OMNQXUYALAHFOL-UHFFFAOYSA-N
-rxn:5:227412:197876:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cnc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,NHUAMEGWVJSHOP-UHFFFAOYSA-N
-rxn:5:227458:193506:227780,CN1CCOc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4c(F)ccc([N+](=O)[O-])c4F)c3)cnc21,ZZJOAHNGFZYBGJ-UHFFFAOYSA-N
-rxn:5:227512:178295:227831,CCc1c(C)cc(-c2ccc(-c3cc(C(=O)OC)ncc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,LQYZMMSQXJYXCZ-UHFFFAOYSA-N
-rxn:5:227521:178295:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C(=O)OC)cnc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JIPWXCDPYWDQFE-UHFFFAOYSA-N
-rxn:5:227525:178295:226062,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,QRWWBWKFTNZRQA-UHFFFAOYSA-N
-rxn:5:227542:178295:227942,CCc1ccc(-c2ccc(-c3ccc(F)cc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,DSMUGGICNVIJNI-UHFFFAOYSA-N
-rxn:5:227560:178295:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(OC)c(C(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,YLLFTZCIMVAJDK-UHFFFAOYSA-N
-rxn:5:227569:180662:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3c(OC)ccc(F)c3OC)c2OC1,PMQNJCHIFFSVNF-UHFFFAOYSA-N
-rxn:5:227588:178295:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2c(OC)cc(F)cc2OC)CCC(=O)CC1,UGQYXZDMPDVJTA-UHFFFAOYSA-N
-rxn:5:227592:180662:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3cc(F)cc(OC)c3OC)c2OC1,JGAKXLOPYLQXCG-UHFFFAOYSA-N
-rxn:5:227592:190194:226437,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCC3)ncc2F)c1OC,VBRPDEJFCWZYBZ-UHFFFAOYSA-N
-rxn:5:227592:193462:225592,COc1cc(F)cc(-c2ccc(-c3cc(F)ccc3CN3CCCC3)c(CN3CCC(=O)CC3)c2)c1OC,GMNAHIWDRQDVEV-UHFFFAOYSA-N
-rxn:5:227612:180098:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCO3)c2)c(OC2CCCC2)c1,PTCRYNTXHWDILM-UHFFFAOYSA-N
-rxn:5:227706:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(OC)cnc2C(F)F)CCC(=O)CC1,CZSARAKMVAQVGE-UHFFFAOYSA-N
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-rxn:5:227815:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccccc2C(C)CC)c(C2(C(=O)OC)CCC(=O)CC2)c1,CQJOLMVNKOMGQM-UHFFFAOYSA-N
-rxn:5:227816:178295:227301,CCCc1ccc(-c2ccc(-c3ccc(F)cc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,LGUTWMURBVLZDK-UHFFFAOYSA-N
-rxn:5:227819:178295:227290,CCc1cc(CC)cc(-c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HPVFLFLGNJZUDQ-UHFFFAOYSA-N
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-rxn:5:227840:197876:226366,Cc1cccc(-c2cc3c(cc2-c2ccnc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1C1CC1,FYGXIWXPDAVNBG-UHFFFAOYSA-N
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-rxn:5:227935:178295:227287,CCc1cc(-c2ccc(-c3ccc(C(C)C)nc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,CFTJGJJEYNYASM-UHFFFAOYSA-N
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-rxn:5:227943:178295:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cc(C)ccc2N(C)C)CCC(=O)CC1,FFJJVLAJPRMXCS-UHFFFAOYSA-N
-rxn:5:227970:178295:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccncc2C(C)(C)C)CCC(=O)CC1,HGSPJOSKLKWFBU-UHFFFAOYSA-N
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-rxn:5:228180:193972:227387,COCc1cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,UIUASZSVCYFJRV-UHFFFAOYSA-N
-rxn:5:228181:178295:227350,COCc1cc(F)ccc1-c1ccc(-c2c(OC)cc(C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,CMFKTXPPBJNCRI-UHFFFAOYSA-N
-rxn:5:228248:193869:226366,CC(=O)c1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)c(F)c1,ILWHWQVCNBARIM-UHFFFAOYSA-N
-rxn:5:228258:178295:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,WYPNZZMCVAQSFG-UHFFFAOYSA-N
-rxn:5:228317:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,RLKAIPCGNQABTF-UHFFFAOYSA-N
-rxn:5:228388:178295:227313,CCC(C)c1cc(-c2ccc(-c3cc(C(F)F)ncc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,KXCKSEDSTWPHDY-UHFFFAOYSA-N
-rxn:5:228396:178295:227541,CCOc1cc(F)c(-c2ccc(-c3c(F)cc(OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,ILLZVGMRLKXHGB-UHFFFAOYSA-N
-rxn:5:228516:178295:226322,CCc1cc(C)cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AGIHDIXUZHVKQM-UHFFFAOYSA-N
-rxn:5:228567:178295:226907,CCC(C)c1sccc1-c1ccc(-c2cccc3c2CCC32CC2)cc1C1(C(=O)OC)CCC(=O)CC1,GBEOOTBIUWJAKZ-UHFFFAOYSA-N
-rxn:5:228567:178295:226923,CCC(C)c1sccc1-c1ccc(-c2cc(C)c(C3CC3)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,OQQSGEVCZYXIFS-UHFFFAOYSA-N
-rxn:5:228567:178295:227084,CCC(C)c1sccc1-c1ccc(-c2ccc(C(C)(C)C)nc2C)cc1C1(C(=O)OC)CCC(=O)CC1,SMYLMHXYSPYTOY-UHFFFAOYSA-N
-rxn:5:228617:178295:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2c(C)cccc2OC)CCC(=O)CC1,KJBAGSKYCYXMKT-UHFFFAOYSA-N
-rxn:5:228622:178295:226322,CCc1cc(F)ccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,BFFQMTJQZZPJRT-UHFFFAOYSA-N
-rxn:5:228649:193972:226395,Cc1cc(C)c(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,ZCJBDUVZVWCROZ-UHFFFAOYSA-N
-rxn:5:228970:193506:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)s3)cc2-c2ccc(C3=CCCCC3)nc2)CC1,RBUCBFRSQCAIOH-UHFFFAOYSA-N
-rxn:5:228991:178295:226589,CCCc1sccc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,BXDUBXWHNREGRF-UHFFFAOYSA-N
-rxn:5:229012:178295:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2sccc2C(C)C)CCC(=O)CC1,WYIBHUBDCHBILN-UHFFFAOYSA-N
-rxn:5:229041:193972:225633,Cc1cc(-c2c(C)cccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,VDCJLCSAZHEXDT-UHFFFAOYSA-N
-rxn:4:173305:224308,COC(=O)COc1ccc(-c2cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c2)cc1C(=O)OC,WHNFQGWRSLCGRJ-UHFFFAOYSA-N
-rxn:4:173517:225712,CCOC(=O)COc1ccc(-c2ccc(C(F)(F)F)cc2OC2(C(=O)OC(C)(C)C)CC2)cc1,GUBDUFNSDCXBPP-UHFFFAOYSA-N
-rxn:4:173528:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccccc2C(=O)Oc2ccc(OCc3ccccc3)cc2)CC1,KBUQLDWQRKBWTN-UHFFFAOYSA-N
-rxn:4:173574:226276,COc1ccc(-c2cccc(C(=O)CCCCC3OCC(C)(C)CO3)c2)cc1CN(C)C,DIPWGZVQVVCSNV-UHFFFAOYSA-N
-rxn:4:173593:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1,QQORNQRZTGMATO-UHFFFAOYSA-N
-rxn:4:173612:225118,CCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(OC(C)C)c(C(=O)OC)c3)c1)C2=O,SIATWRPJTMWXLX-UHFFFAOYSA-N
-rxn:4:173613:222468,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc3cc(NC(=O)OC(C)(C)C)ccc3c1)C2=O,CAEGLCZIDPHDRR-UHFFFAOYSA-N
-rxn:4:173645:224754,COc1cc(-c2ccccc2S(=O)(=O)N2CCCCC2)cc2cc(C(=O)OC(C)C(=O)c3ccc(F)cc3)c(=O)oc12,OJZOARAGAGVVRU-UHFFFAOYSA-N
-rxn:4:173672:223996,Cc1oc2cc(-c3ccc(N4CCN(C)CC4)cc3C(F)(F)F)c(OCc3ccccc3F)cc2c1C(=O)OC(C)C,OCTLJLHLISZHBJ-UHFFFAOYSA-N
-rxn:4:173675:226475,CCOc1ccc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)(C)C)c(OCC)n1,BFSUUXDYPPKYFY-UHFFFAOYSA-N
-rxn:4:173704:225447,COc1cccc2c(-c3ccc(OC4CCCCC4)cc3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,WPSKGBGMZYPVOA-UHFFFAOYSA-N
-rxn:4:173797:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc(F)c(C(=O)OC)c(OCC(F)(F)F)c2)c1,CFEVYUIPAKZIGA-UHFFFAOYSA-N
-rxn:4:173806:226604,CC(C)Oc1cc(-c2cc(OC(C(F)(F)F)C(F)(F)F)ccc2C(F)(F)F)cc(Cl)c1F,WSEFJHQDEVEJMF-UHFFFAOYSA-N
-rxn:4:173918:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(C(=O)CC(=O)OC)c2OC)c(F)c1,HFQKJKMNWNODKA-UHFFFAOYSA-N
-rxn:4:174090:223811,CCC(C)SCC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,LBSOVZGLSRNANN-UHFFFAOYSA-N
-rxn:4:174090:223813,CCC(C)SCC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1,XIIAPADTKRQYEG-UHFFFAOYSA-N
-rxn:4:174380:224426,COc1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)c(C(=O)OC(C)(C)C)c1OC,QXIZVARFYRHUEW-UHFFFAOYSA-N
-rxn:4:174407:223926,COC(=O)C1(c2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c2)CC(OC)(OC)C1,UWYNRDYLDCLNRK-UHFFFAOYSA-N
-rxn:4:174407:225198,COC(=O)C1(c2cccc(-c3c(F)cccc3OC3CCCCO3)c2)CC(OC)(OC)C1,FSFDCZOUCNUGLZ-UHFFFAOYSA-N
-rxn:4:174444:225684,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2ccc(C3CCOCC3)nc2C)c1,LGDVINRQAWPSPX-UHFFFAOYSA-N
-rxn:4:174489:224811,CC1(C)COC(CCCC(=O)c2ccccc2-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)OC1,OLSSWRZKCLDUAC-UHFFFAOYSA-N
-rxn:4:174508:223993,Cc1cc(-c2ccc(SC3=C(OC(=O)c4ccco4)CC(C)(C)CC3=O)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,BSEYKGILYUSKDZ-UHFFFAOYSA-N
-rxn:4:174516:224834,CC(C)[Si](Oc1ccccc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F)(C(C)C)C(C)C,FHRDVAPETSDIIO-UHFFFAOYSA-N
-rxn:4:174528:222835,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(CNC(=O)CC(C)C)cc1,JCZFENNNDMRDKJ-UHFFFAOYSA-N
-rxn:4:174624:224278,COc1ccc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,KNONVUDSHJKGOZ-UHFFFAOYSA-N
-rxn:4:174757:223828,CCN1CCN(c2cc(-c3cc(OC(F)(F)C(F)(F)F)cc(C(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,HCLBJOCREYRVRE-UHFFFAOYSA-N
-rxn:4:174919:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)c(C(=O)OC)cc3Cl)cc2)CC1,FUYQHBAIWLKNIN-WGSAOQKQSA-N
-rxn:4:174991:223559,CCCCOc1c(Cl)ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1F,VAOMHWPQEQAZPS-UHFFFAOYSA-N
-rxn:4:175140:223650,CCCCC(=O)c1cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,ADWFUZXPSIZOBL-UHFFFAOYSA-N
-rxn:4:175194:223501,CCOc1c(OC)ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1C(F)F,JYBUQVVZEGLDGF-UHFFFAOYSA-N
-rxn:4:175259:223813,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c(F)cc1OCC1CC1,DULASWYBVIAANQ-UHFFFAOYSA-N
-rxn:4:175411:222466,COc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(F)cc1OCC(C)C,LJADOCQVZHYNMY-UHFFFAOYSA-N
-rxn:4:175714:223866,COc1c(C(=O)OC(C)(C)C)cccc1-c1ccccc1CN1C(C)(C)CCCC1(C)C,SRHIKMZVXOHJHA-UHFFFAOYSA-N
-rxn:4:175827:224249,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1cc(C(=O)N2CCCC(C)C2)ccc1F,YCOJCEHZAIXHEN-UHFFFAOYSA-N
-rxn:4:176018:224089,COc1cc(-c2ccc(OCCN3CCC(C)CC3)cc2)c(F)cc1OCC1CCCCC1,GWTKCUVNLDVWAJ-UHFFFAOYSA-N
-rxn:4:176044:224398,Cc1cc(F)c(-c2ccc(C3(C)OCCO3)cc2C(=O)OC(C)C)cc1S(=O)(=O)N1CCCC1,ZMGNTOFNHAEHIX-UHFFFAOYSA-N
-rxn:4:176105:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3C(F)(F)F)cc2)CC1,WRQOFHHOMUFZQB-UHFFFAOYSA-N
-rxn:4:176145:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(-c4cccc(OC(F)(F)F)c4)cc(C(C)(C)C)c3)cn2)CC1,VHFGQPNRACCIQR-UHFFFAOYSA-N
-rxn:4:176261:224420,Cc1cc2c(cc1-c1ccccc1C=C1Oc3cc(OC(=O)C(C)C)ccc3C1=O)C(C)(C)CCC2(C)C,JTRKQQUFWKJXNG-UHFFFAOYSA-N
-rxn:4:176954:223595,COc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc(C(F)(F)F)cc1C(F)(F)F,SGYLOTNXORTRET-UHFFFAOYSA-N
-rxn:4:177794:223790,CC(C)(C)OC(=O)c1c(F)c(F)c(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c(F)c1F,MYKOJNRELRBAQE-UHFFFAOYSA-N
-rxn:4:177822:223608,COc1ccc(CC(C)C)cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,QBRPOBBKBCGNDY-UHFFFAOYSA-N
-rxn:4:178215:223482,Cc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1-c1ccc(C(F)(F)F)cc1C(F)(F)F,GJASWMAWUPJXRE-UHFFFAOYSA-N
-rxn:4:178360:224008,Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,LCRWJUKLGRJFCQ-UHFFFAOYSA-N
-rxn:4:178381:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,NRXBKIFYWTUDGQ-UHFFFAOYSA-N
-rxn:4:178384:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NPVVYTKRUOJQHL-UHFFFAOYSA-N
-rxn:4:178384:224696,COc1cccc(-c2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cnc2Cl)c1,HDNUBYSALKABQX-UHFFFAOYSA-N
-rxn:4:178384:226780,COc1c(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(OC)c1Cl,FNMGAZRTWDOSPM-UHFFFAOYSA-N
-rxn:4:178384:227882,CCOCc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,MRPWWOHZBCRRNE-UHFFFAOYSA-N
-rxn:4:178384:228964,COC(=O)c1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)s1,GKNOERZSFAKJPJ-UHFFFAOYSA-N
-rxn:4:178597:226061,CC(C)c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CC2)c1,DHKQCHJZQBENLN-UHFFFAOYSA-N
-rxn:4:178597:227901,CC(C)Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,WLDCDOAKSOWNIE-UHFFFAOYSA-N
-rxn:4:179799:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1C1COC1,NEFYKBKJIGHFLL-UHFFFAOYSA-N
-rxn:4:180025:223748,COc1ccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c(C2OCCO2)c1F,FLLJTQXIJCJZML-UHFFFAOYSA-N
-rxn:4:180289:223812,COc1c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc(C)cc1C1OCCO1,RVPPBOQWASUOII-UHFFFAOYSA-N
-rxn:4:180382:223577,CC(C)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1C1OCCO1,QHERLADOYGCSSM-UHFFFAOYSA-N
-rxn:4:180512:223712,COc1ccc(-c2ccc(CC3CCCCC3)cc2C)cc1C12CC3CC(CC(C3)C1)C2,GRDVDAUILKMKDI-UHFFFAOYSA-N
-rxn:4:180792:225168,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCOCC4)c(F)c3)cc1C2=O,YVOHNHQFJBVNSB-UHFFFAOYSA-N
-rxn:4:180792:225177,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(CN4CCSCC4)c(F)c3)cc1C2=O,MADWCIYUDIOQJX-UHFFFAOYSA-N
-rxn:4:180815:223587,COc1cc(COc2ccc(F)c(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c2F)cc(OC)c1,FJSCVKQYZIGKDB-UHFFFAOYSA-N
-rxn:4:180815:225294,CCN1CCN(c2ncc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)CC1,YWOKLHYMGJLKEB-UHFFFAOYSA-N
-rxn:4:181662:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4OCCO4)c(F)c3Cl)cc2Cl)CC1,FRKUZMJVFHQGFN-UHFFFAOYSA-N
-rxn:4:182354:223976,COc1ccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)c2c1OC1(CCCC1)C2,ZBSBPAJYLHJVOJ-UHFFFAOYSA-N
-rxn:4:182372:224248,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N4CCC(C)CC4)c(Cl)c3)cc1C2=O,OGCGZLDJYVMSFP-RSIILCRJSA-N
-rxn:4:182372:224424,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(=O)[C@]3(CC[C@H](OC)CC3)C4)cc2)CC1,CBDDEIKTFAJNDJ-CCQANPRDSA-N
-rxn:4:182372:224718,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCN4CCOCC4)nc3)cc1C2=O,AWINHWVKFDYYKM-PGWJBFNOSA-N
-rxn:4:182375:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)CC(C2COCC(C)(C)C2)O3)cc1,WPULCSIJVZOISX-UHFFFAOYSA-N
-rxn:4:182376:222775,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCC(O)CC5)c(F)c4)cc3C2=O)C[C@@H]1C,WNRIKLMDLYQYET-UBHXRJOGSA-N
-rxn:4:182376:223748,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(N5CCCCC5)cc(N5CCCCC5)c4)cc3C2=O)C[C@@H]1C,HSKDVFMVFFYMKL-OMYSGTBYSA-N
-rxn:4:183261:223840,COc1ccc(-c2ccc3c(c2)C(=O)C2(CCC(=O)CC2)C3)cc1S(=O)(=O)N1CCN(C)CC1,YZWCJNRCQWWRLK-UHFFFAOYSA-N
-rxn:4:183273:225274,COCCOc1c(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)c1F,QCTFCUASCDWMRB-UHFFFAOYSA-N
-rxn:4:183273:226773,COC(=O)c1c(Cl)ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1F,JYROITGNHGMURQ-UHFFFAOYSA-N
-rxn:4:183274:228922,COc1ccnc(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,BQPSCGUWXOZEOE-UHFFFAOYSA-N
-rxn:4:183274:229239,CSc1ccsc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,WTQJXFZDJPYWQL-UHFFFAOYSA-N
-rxn:4:183440:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc4c5c(ccc6c5c3CCC6)CCC4)cc2)CC1,MNDDZDBLOIUZAT-UHFFFAOYSA-N
-rxn:4:183500:222677,CCOC(=O)Cc1cc(C#N)cc(-c2ccc(F)cc2CNC(=O)OC(C)(C)C)c1C(F)F,QPTGPVAWIBKLNX-UHFFFAOYSA-N
-rxn:4:183693:224080,COC(=O)C1CN(Cc2cc(-c3ccc(OCCCN4CCCCC4)cc3)ccc2OC(F)(F)F)C1,XAFVWEAFQREELV-UHFFFAOYSA-N
-rxn:4:183693:224969,COC(=O)C1CN(Cc2cc(-c3ccc(C(=O)OC(C)(C)C)c(C)c3)ccc2OC(F)(F)F)C1,SPTLNFSKLZNZOG-UHFFFAOYSA-N
-rxn:4:183729:223179,CONC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCOCC2)ccc1F,AMQGTOSKCOKVPJ-UHFFFAOYSA-N
-rxn:4:183758:224308,CCN(CC)Cc1c(OC)cc(-c2cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c2)cc1OC,CHXJDOQDEGGNLD-UHFFFAOYSA-N
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-rxn:4:185322:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(Cl)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,JVNPGCKVDICAGV-UHFFFAOYSA-N
-rxn:4:185324:226889,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3cc(Cl)cc(C(F)(F)F)c3F)c2)CC1,UOPBBTMGPQCVQZ-UHFFFAOYSA-N
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-rxn:4:185381:224621,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(OCCN4CCSCC4)cc3)cc(C(F)(F)F)c2)C1,DUPURPHUNMSRDT-UHFFFAOYSA-N
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-rxn:4:185413:227499,CCN(C)c1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2OC)cnc1Cl,AQDZKAFRJMFFAZ-UHFFFAOYSA-N
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-rxn:4:185523:224489,COC(=O)CC1COc2ccccc2N1C(=O)c1ccc(-c2cc(F)ccc2CN(C(C)C)C(C)C)cc1,LUHJHDITGXWPQH-UHFFFAOYSA-N
-rxn:4:185534:223187,CONS(=O)(=O)c1cccc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)c1,MFOUWOTYWANKNK-UHFFFAOYSA-N
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-rxn:4:185626:225000,CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(c2ccccc2)Cc2c(cc(F)cc2-c2ccc(CN3CCCCC3)c(F)c2)O1,BEWASMGBGRSLOF-SHUZPENHSA-N
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-rxn:4:186235:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c([N+](=O)[O-])c(OCC4CC4)c3)c(F)c2)CC1,FERGWRZYETVMCR-KESTWPANSA-N
-rxn:4:186307:223536,CN(C)CCOc1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1Cl,BBLYGZFXSKRXHF-UHFFFAOYSA-N
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-rxn:4:186620:223788,COc1cc(OC)c(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1C=C(C)[N+](=O)[O-],VVSSXJVFDZPLLZ-UHFFFAOYSA-N
-rxn:4:186700:223952,Cc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c(OCC(=O)N2CCC2)c1,IXWSVMZLCVABDG-UHFFFAOYSA-N
-rxn:4:186734:224329,O=C1CCN(C(=O)c2ccc(-c3cccc(OCC(=O)N4CCC(F)(F)C4)c3)cc2F)CC1,CUMJFHLUFGTJQB-UHFFFAOYSA-N
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-rxn:4:186895:223790,COc1cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)cc(C#N)c1OC1CCOCC1,NGLPWQVDJBHLIC-UHFFFAOYSA-N
-rxn:4:187008:223670,COC(=O)c1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c(CN2CCC(F)(F)C2)c1,OTKNJUCWSABTMM-UHFFFAOYSA-N
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-rxn:4:187092:224490,FC1(F)CCN(Cc2ccc(OC(F)(F)F)c(-c3ccccc3OCCN3CCCCC3)c2)CC1,ICAOFXGIBKVPCD-UHFFFAOYSA-N
-rxn:4:187158:223918,CN(C(=O)c1ccc(F)c(-c2cccc(S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)c2)c1)C1CCCCC1,RQKLLBMWCFYYDK-UHFFFAOYSA-N
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-rxn:4:187352:222545,CC(C)[Si](c1ncc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)s1)(C(C)C)C(C)C,SBWMQQVSPPPWQD-UHFFFAOYSA-N
-rxn:4:187353:223635,CC(C)[Si](c1nc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)co1)(C(C)C)C(C)C,SOCHELBYGAXRQY-UHFFFAOYSA-N
-rxn:4:187384:225923,CC(C)(C)OC(=O)N1CCC(=O)C1c1cccc(-c2cnc(OC3CCCC3)nc2Cl)c1,ZLIIMGHCUNOWGK-UHFFFAOYSA-N
-rxn:4:187504:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c(F)c2)C1,IXNKRZFBYGXXCX-UHFFFAOYSA-N
-rxn:4:187515:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(C(=O)c4cccc(CN5CCSCC5)c4)c3)cc(C(F)(F)F)c2)CC1,ICHYVMMUEPAOSK-UHFFFAOYSA-N
-rxn:4:187542:225000,COc1cc(-c2ccc(CN3CCCCC3)c(F)c2)cc(OC)c1CN1CCC(C)CC1,LMEAAVHPHOXWTR-UHFFFAOYSA-N
-rxn:4:187544:224588,COc1cc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc(OC)c1CN1CCCCC1C,VCFZQYQODFXVEE-UHFFFAOYSA-N
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-rxn:4:187691:222405,O=C1NC(=O)C(c2cccc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)c(F)c3)c2)N1,RSSZBBFLKATEBC-UHFFFAOYSA-N
-rxn:4:187692:226131,O=C(c1ccc(-c2ccccc2CN2CCCC2)c(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2,GWTXUVYXFPHWPI-UHFFFAOYSA-N
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-rxn:4:187810:223811,COC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc2c1CCN2CC1CC1,PICVNHOAUDDTLO-UHFFFAOYSA-N
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-rxn:4:187945:225394,COC(=O)C1=Cc2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2N(CC(C)C)CCC1,MZARALGPCFDWEV-UHFFFAOYSA-N
-rxn:4:187961:223880,COC(=O)Cc1cc2c(n1-c1ccc(-c3cc4cc(C)ccc4n3C(=O)OC(C)(C)C)cc1)CC(C)(C)CC2=O,GZGAAZZJERXNPD-UHFFFAOYSA-N
-rxn:4:187995:226055,CCc1cc(-c2ccc3c4c(cccc24)CC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,QOXSNDGETKPROU-UHFFFAOYSA-N
-rxn:4:188511:223506,CCCOc1ncccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BHOOZCHDKUEKKP-UHFFFAOYSA-N
-rxn:4:188905:223809,CCS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,LBGBMKCCJZJUEC-UHFFFAOYSA-N
-rxn:4:189299:223542,COc1cc(C(=O)N(C)C)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,OZYJLEBZJJAAAX-UHFFFAOYSA-N
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-rxn:4:199452:224132,CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(-c2ccccc2C(=O)N(C)C2CCCCC2)c1,UBFWLBRBKKBHLO-UHFFFAOYSA-N
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-rxn:4:199574:223167,O=[N+]([O-])c1ccc(OCCN2CCCC(C(F)(F)F)C2)c(-c2ccnc(N3CCNCC3)c2)c1,FRKAMRRBIOGWTO-UHFFFAOYSA-N
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-rxn:4:199646:222971,CC(C)(C)OC(=O)N1CCCC1CSc1cccc(-c2ccc(NC(=O)C(C)(C)C)cc2)n1,AOSAOBUKHJSVTR-UHFFFAOYSA-N
-rxn:4:199655:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2ccccc2CCC(=O)N2CC(CN3C(=O)CCC3=O)C2)c1,GVDQNJMMVKTLEU-UHFFFAOYSA-N
-rxn:4:199664:222861,CCCCNC(=O)c1cc(-c2ccc(OC3CCN(C(=O)Cc4cccc(C(F)(F)F)c4)C3)nc2)ccc1F,UQVAKOSSKYFBAB-UHFFFAOYSA-N
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-rxn:4:199698:222466,CCOc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,BLLLJGHWAIPJTE-UHFFFAOYSA-N
-rxn:4:199716:224670,CN1CCN(Cc2ccc(F)c(-c3cccnc3OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IJJZFSHIWFQJHR-UHFFFAOYSA-N
-rxn:4:199758:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(N2CCN(C(=O)OCC[Si](C)(C)C)CC2)cc1,VFQFWRLTOJTGIV-UHFFFAOYSA-N
-rxn:4:199760:224498,CCN1CCN(Cc2ccccc2-c2ccccc2N2CCN(C(=O)OCC[Si](C)(C)C)CC2)CC1,MRYPDNJZYKQDCA-UHFFFAOYSA-N
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-rxn:4:199786:227815,CCC(C)c1ccccc1-c1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,RXMDQZVKDKEDQF-UHFFFAOYSA-N
-rxn:4:199791:222685,COc1ccc(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LBQOGTGPAKVDGC-UHFFFAOYSA-N
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-rxn:4:199831:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3ccc(F)c(CCN4CCN(C(=O)OC(C)(C)C)C[C@H]4C)c3)c2)c1,JNQLGFNQQRPUFK-AREMUKBSSA-N
-rxn:4:199854:222484,COC1CCN(C2CCN(C(=O)CCc3ccccc3-c3cc(F)cc(C(=O)Nc4ccc(C)cc4C)c3)CC2)C1,JPBWOFXMOAOZOF-UHFFFAOYSA-N
-rxn:4:199867:227872,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccc3c(c2)CCC3=O)c(C2OCCO2)c1,DRYDVEVKXXBREZ-UHFFFAOYSA-N
-rxn:4:199867:228232,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cnc(Cl)c(C3CC3)c2)c(C2OCCO2)c1,CZBBACSWJAGKNP-UHFFFAOYSA-N
-rxn:4:199873:224464,CCc1ccc(-c2ccc(-c3ccc(C4CCCN4C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)c2)cc1,GFVNHUNXBQWWMX-UHFFFAOYSA-N
-rxn:4:199879:222854,COc1ccc(C2CCCNC2)cc1-c1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc(C(C)(C)C)c1,HJJVFGXWROLDOS-GEPVFLLWSA-N
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-rxn:4:203938:225385,O=S(=O)(C1CC1)N1CCN(c2ccc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)cc2)CC1,XPEKBSUHZUQCSG-UHFFFAOYSA-N
-rxn:4:203989:222675,COc1cc(-c2cccc(CC3CCCN(C(C)C)C3)n2)ccc1NC(=O)OC(C)(C)C,DBMMLAFSGNVEFT-UHFFFAOYSA-N
-rxn:4:204054:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)o1)N1CCCN(C2CCOC2)CC1,UMFLGRAAJBWJJQ-UHFFFAOYSA-N
-rxn:4:204104:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cccc(N3CCN(C(=O)C4CCCC4)CC3)c2)c1,FWNYZOCKLYEFBG-UHFFFAOYSA-N
-rxn:4:204109:225256,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(C(F)(F)F)nc3ccccc23)CC1,DVZLTCWLMCRPKU-UHFFFAOYSA-N
-rxn:4:204118:224316,CN1CCN(C(=O)c2cc(F)cc(-c3ccccc3C(=O)N3CCCN(C4CCSC4)CC3)c2)CC1,KMHOPGIJNAIWFM-UHFFFAOYSA-N
-rxn:4:204135:223286,CS(=O)(=O)Nc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,XVUFKPFCGDSLBG-UHFFFAOYSA-N
-rxn:4:204147:224949,COc1ccc(-c2ccc(CN3CCCCC3C)c(N3CCCC3)c2)cc1CN1CCCC1,ZZGVCCUIIXKHND-UHFFFAOYSA-N
-rxn:4:204159:223836,COc1ncnc2c1cc(-c1cc(C)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc1C)n2C(=O)OC(C)(C)C,BMHULBFRXLOGLJ-UHFFFAOYSA-N
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-rxn:4:204412:223687,CN(C)C(=O)Oc1c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(Cl)c2cccnc12,WHGDNVXYNAEZQZ-UHFFFAOYSA-N
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-rxn:4:204602:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1,VSHCUCXUKJPYAG-UHFFFAOYSA-N
-rxn:4:204648:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)o1,VSPWCQQJLIHEEB-UHFFFAOYSA-N
-rxn:4:204683:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,LGEYMSYYBZNYQV-UHFFFAOYSA-N
-rxn:4:204683:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,VDSHFOCNZZZHQG-UHFFFAOYSA-N
-rxn:4:204695:227957,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccc(C(C)C)nc2C)c1,AKFGOPNLMFEGOV-UHFFFAOYSA-N
-rxn:4:204697:225076,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccc(C(=O)OC)c3ncccc23)cc1,BTMXNQQKCGXFSN-UHFFFAOYSA-N
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-rxn:4:204804:226180,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc(C2CCCC2)n1,CIMLFGCZYMHOPN-UHFFFAOYSA-N
-rxn:4:204833:225828,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1cnc(N2CCCCCC2)nc1,KAQWPOQAAMMACR-UHFFFAOYSA-N
-rxn:4:204835:223184,O=C(C1=CN(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,KXKSXKZQDLRDEQ-UHFFFAOYSA-N
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-rxn:4:204893:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1nc2c(s1)C1CCCC(C2)N1C(=O)OC(C)(C)C,DOGZDVXTJNXRSF-UHFFFAOYSA-N
-rxn:4:204900:224934,O=C1c2cccc3c(-c4cccc(OCCN5CCCC5)c4)ccc(c23)C(=O)N1CCN1CCOCC1,YWCYFAPYLVVNEO-UHFFFAOYSA-N
-rxn:4:204955:227580,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)c(OC)cc4Cl)ccc2OC3C2CCCCC2)cc1,BVAZLNMYBDGIEE-UHFFFAOYSA-N
-rxn:4:205488:223597,COc1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)n1C1COC1,DINHGZPOKNAJRT-UHFFFAOYSA-N
-rxn:4:205957:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CC(F)(F)C4)c([N+](=O)[O-])c3)cn2)CC1,CKKKGGTXYFUWLS-UHFFFAOYSA-N
-rxn:4:206168:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cncc(OC4CCOCC4)n3)c2)CC1,JCBKGFNCAAIGKZ-UHFFFAOYSA-N
-rxn:4:206192:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(C#N)ccc3N3CCCC3)c2)CC1,MACXKXPPOMSWLH-UHFFFAOYSA-N
-rxn:4:206252:223534,Cc1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cnc1C(=O)N1CC(F)(F)C1,FAKBJLWLHZCQKA-UHFFFAOYSA-N
-rxn:4:206439:223786,CN1CCN(CCCOc2ccc(-c3cnc(F)c(C(=O)N4CCOCC4)c3)cc2Cl)CC1,XLADZQXIVDQWAP-UHFFFAOYSA-N
-rxn:4:206444:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C(=O)N4CCOCC4)c(Cl)c3)cc2F)CC1,OGOWJMAGZZNDBQ-UHFFFAOYSA-N
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-rxn:4:206717:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc2)CC1,YLWMVGVENWGAGO-UHFFFAOYSA-N
-rxn:4:206761:223992,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(F)c2)cc1S(=O)(=O)N1CCN(C)CC1,NTJXPUMKXOBGRF-UHFFFAOYSA-N
-rxn:4:206797:222693,CS(=O)(=O)N1CCOC(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1,QLCPXGONFSNOMM-UHFFFAOYSA-N
-rxn:4:206905:223482,O=S(=O)(c1cc(-c2cncc(CN3CCCCCC3)c2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,RGSIVRSTEZKERW-UHFFFAOYSA-N
-rxn:4:206926:223540,CCN1CCN(c2cc(Cl)cc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)c2)CC1,YYRZRCNGTBICRZ-UHFFFAOYSA-N
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-rxn:4:206961:224247,CC1CCN(C(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCCC(C)C4)c3)c(F)c2)CC1,CYAXFCWGFANDPE-UHFFFAOYSA-N
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-rxn:4:207052:223993,CCN1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)c2C)CC1,ZTYNMSHSORFFSA-UHFFFAOYSA-N
-rxn:4:207052:223999,CCN1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)c2C)CC1,OZNNOXQZBBRJHQ-UHFFFAOYSA-N
-rxn:4:207058:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,CUOCEOPDECGEPC-UHFFFAOYSA-N
-rxn:4:207071:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(N4CCN(C)CC4)ccc3C3CC3)c2)CC1,UKTMKBXFUNZOOD-UHFFFAOYSA-N
-rxn:4:207577:223953,COCCN1CCN(c2cc(F)cc(-c3cnn(C(C)C)c3C34CCCC3O4)c2)CC1,PPVOJDGLEPKCBC-UHFFFAOYSA-N
-rxn:4:207779:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)NC1CCCC1,XRHZQGTWZRYGOX-UHFFFAOYSA-N
-rxn:4:207890:224180,Cc1c(-c2ccccc2OCCN2CCN(C)CC2)cnn1CC12CC3CC(CC(C3)C1)C2,NTCQKHXNORIXCY-UHFFFAOYSA-N
-rxn:4:207890:225009,Cc1cnc(OC2CCCCC2)c(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)c1,PVFDMFSVRCHPPV-UHFFFAOYSA-N
-rxn:4:209778:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCC(F)(F)CC4)cn3)ccc2C)CC1,JNFITGLGBYPGBP-UHFFFAOYSA-N
-rxn:4:212492:223970,Cc1ccc(-c2ccc3c(c2)CCc2cccnc2C3=C2CCN(C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,HXMPAINBHBZUOV-UHFFFAOYSA-N
-rxn:4:212511:222948,O=C(CCC(F)(F)F)N1CC(Cn2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,RWQBTALDEGGPOX-UHFFFAOYSA-N
-rxn:4:212564:223728,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)c3)c(F)c2)CC1,LWUPCZSHSVQKHP-UHFFFAOYSA-N
-rxn:4:212591:224101,COC(=O)c1ccc(C(=O)N2CCC(Oc3ncc(-c4cccc(OCCN5CCC(C)CC5)c4)cn3)C2)cc1,ZIUGRNVOQODCBY-UHFFFAOYSA-N
-rxn:4:212592:223055,Cc1nc(N2CCNCC2)ccc1-c1cccc(CCCC2(C(=O)N(C)C)CCN2C)n1,OVKJENMGLWFKDG-UHFFFAOYSA-N
-rxn:4:212622:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(OCC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)ccc2F)CC1,AWSGGHHELNMDDR-UHFFFAOYSA-N
-rxn:4:212626:225672,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CCCCC5)c4)cc3)CC2)c1,DSFPQFACDVIICR-UHFFFAOYSA-N
-rxn:4:212629:222504,O=C(NCc1ccc(F)cc1)c1cc(-c2cncc(C(=O)N3CCC(COc4cccc(C(F)(F)F)n4)CC3)c2)ccc1F,KWBHNVAMEXAGID-UHFFFAOYSA-N
-rxn:4:212629:225004,O=C1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(COc5cccc(C(F)(F)F)n5)CC4)c3)cc2)CC1,MTAIAFYMYFYCQF-UHFFFAOYSA-N
-rxn:4:212639:225898,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,LSKUUYCGKLUESG-UHFFFAOYSA-N
-rxn:4:212649:223923,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(C(=O)N(C)C4CCCCC4)c3)cn2)C1,GENNJFRSRRMYCM-UHFFFAOYSA-N
-rxn:4:212662:222723,COc1ccc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1,LILNIGJXJSHXKM-UHFFFAOYSA-N
-rxn:4:212669:222646,COc1cnc(OC2CCN(C(=O)c3cc(OC)ccc3-c3c(C)cc(NC(=O)OC(C)(C)C)cc3C)CC2)nc1,ROJATZVSWQUGAT-UHFFFAOYSA-N
-rxn:4:212676:225172,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3cc(CN4CCOCC4)ccc3F)CC2)ncn1,OOBKSDGVYBZNAZ-UHFFFAOYSA-N
-rxn:4:212678:223529,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)nc1,PXRRCXREVIUFCN-UHFFFAOYSA-N
-rxn:4:212748:224020,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc4ccc5cccc6ccc3c4c56)c2)CCN1C(=O)OC(C)(C)C,OZJXNQFOOFYHMX-UHFFFAOYSA-N
-rxn:4:212769:226340,CCOC(=O)c1nc2n(c1-c1cc(C#N)cc(C3CC3)c1Cl)CCN(C(=O)OC(C)(C)C)C2,UCDLNLYFQIPLNQ-UHFFFAOYSA-N
-rxn:4:212778:224406,Cn1c(=NC(=O)CSCC(=O)N2CCCC2)sc2cc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)ccc21,PGCJWCHQBGVVMU-UHFFFAOYSA-N
-rxn:4:212806:224016,COCCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3cn(S(=O)(=O)N(C)C)nc3-c3ccccn3)ccc21,FNKBZIKEICSYCZ-UHFFFAOYSA-N
-rxn:4:212892:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cnc(N(C(=O)OC(C)(C)C)C2CC2)nc1,LRBJOGGYVRQMOF-UHFFFAOYSA-N
-rxn:4:212917:225201,COC(=O)CN1CCC(Cn2cc(-c3ccc(OC4CCCC4)c(F)c3F)cn2)CC1,MMLVSDPXTOXILA-UHFFFAOYSA-N
-rxn:4:212943:225728,CCCCOc1ccc(-c2cnc(N3CCN(C(=O)OCC)CC3)c(C(F)(F)F)c2)c(F)c1F,RNLXKNLARXMSOP-UHFFFAOYSA-N
-rxn:4:212980:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCC(COc2ccc(F)cn2)C1,BWDVYJWXHJCIKA-UHFFFAOYSA-N
-rxn:4:212991:222730,CCCc1cc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc(C2CCNCC2)n1,NHTPRRFKBIPBGZ-UHFFFAOYSA-N
-rxn:4:213006:223528,COc1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,UBJCAYCSEPVJHL-UHFFFAOYSA-N
-rxn:4:213006:224249,COc1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,ORPYZWOWUWVBNK-UHFFFAOYSA-N
-rxn:4:213011:224963,CC(C)C(=O)N1CCCC(COc2ncc(-c3cccc(COC4CCOCC4)c3)cn2)C1,UICKJMAFKDOHBJ-UHFFFAOYSA-N
-rxn:4:213052:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCN(C(=O)C3CC(F)(F)C3)CC2)nc1,FOAGYQKJFSHSMB-UHFFFAOYSA-N
-rxn:4:213094:223184,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cnc(N3CCNCC3)nc2)CC1,BXFJATALYMUKTM-UHFFFAOYSA-N
-rxn:4:213103:224751,COc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2ccc(F)c(C(=O)N3CCOCC3)c2)CC1,UUEHBRVYHHVOEB-UHFFFAOYSA-N
-rxn:4:213113:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(OC3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4)C3)nc2)CC1,CQNRXZFJBUMSPN-UHFFFAOYSA-N
-rxn:4:213116:224497,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)nc3)cc2)CC1,ODYVPEFHSUKZCE-UHFFFAOYSA-N
-rxn:4:213125:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,LOYNLCOIDWDWJT-UHFFFAOYSA-N
-rxn:4:213131:223812,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,AAAFUFKTYRXEMB-UHFFFAOYSA-N
-rxn:4:213134:224718,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,SXVJFXPKJOLQME-UHFFFAOYSA-N
-rxn:4:213187:223972,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccc(F)cc5)cs4)CC3)o2)c(C(F)(F)F)c1,CEEZBTRZFMZCRD-UHFFFAOYSA-N
-rxn:4:213195:222634,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,VFRKFHMCMNCQNG-UHFFFAOYSA-N
-rxn:4:213216:225810,COc1ccc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c(C2OCCO2)c1,QJZQGTJQWBBKIM-UHFFFAOYSA-N
-rxn:4:213222:225226,CC1CCN(c2cc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)c(F)cn2)CC1,UUOGYFFTMIMZBY-UHFFFAOYSA-N
-rxn:4:213226:223699,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c2)[nH]1,TWCWGNVZJUHUDT-VWLOTQADSA-N
-rxn:4:213237:223166,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3ccc(N4CCNCC4)nc3)cc2)[nH]1,HJFYTETZBFVHTB-QFIPXVFZSA-N
-rxn:4:213261:228958,Fc1ccc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)c(Cl)c1F,YVOFRGOYTCNIHE-UHFFFAOYSA-N
-rxn:4:213268:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(-c2c[nH]c([C@@H]3C[C@H](C)CN3C(=O)OC(C)(C)C)n2)cc1,TWKOWXYGXWTWCZ-SIBVEZHUSA-N
-rxn:4:213268:222839,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(NCC5CCCCC5)nc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,VDIGVUSYCAYIEH-IDISGSTGSA-N
-rxn:4:213278:224485,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccn([Si](C(C)C)(C(C)C)C(C)C)c5)cc4)C3)n2)c1,WVICMYRMEWLIAH-UHFFFAOYSA-N
-rxn:4:213281:226461,CC(=O)n1ccc2c(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cncc21,DTEBBFIJZSKQPM-UHFFFAOYSA-N
-rxn:4:213347:223993,Cc1cc(-c2ccc(CSc3nc4c(c(=O)n3-c3ccc([N+](=O)[O-])cc3)SCC4)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,ZYEKILRGCZJTRA-UHFFFAOYSA-N
-rxn:4:213353:222603,COc1cc(-c2cnccc2OC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c(Cl)cc1NC(=O)OC(C)(C)C,CQPRAFBWRXHCCQ-UHFFFAOYSA-N
-rxn:4:213361:225748,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3ccncc3OCC3CCCO3)ccc21,AYZPSEUAOQNIMN-UHFFFAOYSA-N
-rxn:4:213384:224762,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4ccc(C(=O)N5CCOCC5)c(F)c4)CC3)[nH]c2c1,FJXBHFVGVBRRCC-UHFFFAOYSA-N
-rxn:4:213403:224127,CCN1CCN(C(C)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(c5ccccc5OC)CC4)c3)cc2)CC1,HMFQCPCGNICYOB-UHFFFAOYSA-N
-rxn:4:213421:226102,CN(Cc1ccccc1-c1ccc(CC(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)cc1)C1CC1,FFRMYSUBYNPUBW-UHFFFAOYSA-N
-rxn:4:213428:222948,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc3c2)[nH]1,ARLRODFDIUDZES-SANMLTNESA-N
-rxn:4:213458:223093,COc1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,PHSIGRGRVVYUMK-IDZRBWSNSA-N
-rxn:4:213475:222715,COc1cc(-c2cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,PHIGXZDFIFGXTQ-MMEGNQIDSA-N
-rxn:4:213480:222723,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZFEHOHWIJFSWQI-WKGIXAQJSA-N
-rxn:4:213480:222888,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCNCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PHNTTYBFDRKRBP-QPYSNBRXSA-N
-rxn:4:213480:223131,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCNCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZXEIGEWHDUILAN-WKGIXAQJSA-N
-rxn:4:213480:224718,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCCN5CCOCC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PZJKETXJEODZAL-NGNDDVQRSA-N
-rxn:4:213480:224768,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)c(C(=O)N5CCCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,WLXYHGILKBRBKT-KFARLQHASA-N
-rxn:4:213604:222442,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cn2)C1,UPNRIHDZTZSUBX-UHFFFAOYSA-N
-rxn:4:213617:222538,O=C(c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)o1)N1CCC(Oc2nncs2)CC1,PMKWRJGTXVCJFP-UHFFFAOYSA-N
-rxn:4:213653:226138,Cc1cc(C#N)cc(C2CC2)c1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,SHONKEQEISBEEN-UHFFFAOYSA-N
-rxn:4:213657:225943,CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3ccc(C(=O)N4CCOCC4)s3)cn2)CO1,JKJQMNLANLAQFL-OAHLLOKOSA-N
-rxn:4:213686:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cnn(CC2CN(C(=O)C(C)(C)C)C2)c1,NOIXKINAFGXFFF-UHFFFAOYSA-N
-rxn:4:213692:222886,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccc(N3CCNCC3)cc2C#N)cn1,IOWFQAMGRGBKNB-UHFFFAOYSA-N
-rxn:4:213693:222634,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cn1,VRMSIZQLGFZPBU-UHFFFAOYSA-N
-rxn:4:213708:223812,O=C(c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2ncc(Cl)cn2)C1,WLKPAUIZZWKTOA-UHFFFAOYSA-N
-rxn:4:213716:224169,CC(C)OC(=O)N1CCC(n2cc(-c3cccc(OCCCN4CCOCC4)c3)cn2)CC1,WAOJLHPAXYAUMS-UHFFFAOYSA-N
-rxn:4:213725:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(CN4CC(c5nc(C6CC6)no5)C4)cc3)c2)CC1,DTTYCEHQUDYBFC-UHFFFAOYSA-N
-rxn:4:213735:223897,Cc1ccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1OCCCN1CCOCC1,FMTYELOQQYDTHY-UHFFFAOYSA-N
-rxn:4:213755:222581,CC(C)NS(=O)(=O)c1ccc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c2ccccc12,HWPGBWQMBXNKEF-UHFFFAOYSA-N
-rxn:4:213768:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(OCC2CCCN(C3COC3)C2)nc1,BJCFXNBDBIKSEA-UHFFFAOYSA-N
-rxn:4:213796:225111,COc1ccc(-c2cnn(CC3CN(CC4CCOCC4)C3)c2)c(F)c1OCC(C)C,QPUPZZKVRIVMQK-UHFFFAOYSA-N
-rxn:4:213799:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ncn2)cc1,ZQVRWGOPKRWNSQ-UHFFFAOYSA-N
-rxn:4:213820:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2ncccc2Cl)CC1,SCNRPKRGWVDJRF-UHFFFAOYSA-N
-rxn:4:213834:222776,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(CN4CCC(O)CC4)cc3F)cn2)C1,KZUQBWMIPODYMN-UHFFFAOYSA-N
-rxn:4:213849:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)CC1,AHDUIIBZWPVJCU-UHFFFAOYSA-N
-rxn:4:213892:225975,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,RCMLVLMCSHMZEW-UHFFFAOYSA-N
-rxn:4:213901:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1,HZJKRJMHLPZEFI-UHFFFAOYSA-N
-rxn:4:213910:225073,CCOC(=O)c1cc2cccc(-c3cccnc3OC3CCN(S(=O)(=O)N4CCOCC4)C3)c2s1,RXOVXCKYHBQIMY-UHFFFAOYSA-N
-rxn:4:213940:226566,COC(=O)c1ccc(OC)cc1-c1cnn(C)c1C1CCCN(C(=O)OC(C)(C)C)C1,GVMWSSJAARRMJR-UHFFFAOYSA-N
-rxn:4:213948:225688,Clc1cc(-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)cnc1C1CCCCC1,TZPWTGCSOLKEIZ-UHFFFAOYSA-N
-rxn:4:213971:224937,CCOC(=O)C1(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2)CC1,LQEAJZWUIIJUHM-UHFFFAOYSA-N
-rxn:4:213983:223072,CCCNS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc1,VRTNJZHEISXEOD-UHFFFAOYSA-N
-rxn:4:214033:226349,CC(C)[C@H]1COC(c2cc(-c3cc(F)cc(OC(C)(C)C)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,LGLUPHUKMLXSAY-DNQXCXABSA-N
-rxn:4:214058:226476,CCCCOc1ncc(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)cc1Cl,OSMOEQMHXANVFK-UHFFFAOYSA-N
-rxn:4:214153:224460,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cc(C4CC4)cc(N4CCCCC4)c3)cnn2C1,QYBDSSIVTKWDBD-JOCHJYFZSA-N
-rxn:4:214153:224656,COc1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c(F)c1OC1CCCC1,CLQMWIJZWFCGKE-OAHLLOKOSA-N
-rxn:4:214179:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccn3cnc(C4CN(C(=O)OC(C)(C)C)C4)c3c2)c(F)c1,KMSPFWQXHNDCKP-UHFFFAOYSA-N
-rxn:4:214180:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)cc1,RLADNZDEHCJHAI-GOSISDBHSA-N
-rxn:4:214254:222714,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)cnc21,RFFZZEYFATXHFK-UHFFFAOYSA-N
-rxn:4:214256:228187,COCc1ccc(-c2nn(C3CCOC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(Cl)c1,ZRRUKQAGUZLNCP-UHFFFAOYSA-N
-rxn:4:214296:224076,CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)cc23)CC1,LOHHIQMNZYQOSK-UHFFFAOYSA-N
-rxn:4:214335:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccccc1CN1CCC(N(C)C2=NS(=O)(=O)c3ccccc32)CC1,OPWFLCLYOAVSPX-UHFFFAOYSA-N
-rxn:4:214350:223670,Cc1cc2ncn(CC3CCN(C(=O)c4ccccc4-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)CC3)c2cc1C,CABLOKFCIATMGC-UHFFFAOYSA-N
-rxn:4:214361:227260,COCc1cc(-c2ccc3c(c2)nc([C@@H]2CCCC(=O)N2c2ccc(F)c(F)c2)n3[C@H]2CC[C@H](OC)CC2)ccc1OC,OWSNFUKIYXYBPR-NLVXVLGSSA-N
-rxn:4:214391:225537,CCN(CC)Cc1ccc(F)c(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c1,ZBPHGQIBFVWJLE-UHFFFAOYSA-N
-rxn:4:214550:223867,COC(=O)c1cnc(N2CC(F)(F)C2)c(-c2cccc(OCCCN3CCC(C)CC3)c2)n1,YKWJAIALVHEIHD-UHFFFAOYSA-N
-rxn:4:214622:222624,CC(C)Cc1cc(-c2ccc(N3CCC(C#N)CC3)c([N+](=O)[O-])c2)cc(C2CCNCC2)n1,PEHOLFVFYFNIJL-UHFFFAOYSA-N
-rxn:4:214623:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccccc3-c3cn(S(=O)(=O)N(C)C)cn3)cc21,BJOHDNMHFONFPU-UHFFFAOYSA-N
-rxn:4:214631:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,JRZFZKDSJOYBGI-UHFFFAOYSA-N
-rxn:4:214745:223508,CN(C)C1CCN(c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2C#N)CC1,NJGXIXKFRPABNY-UHFFFAOYSA-N
-rxn:4:214754:223945,Cn1ccc(C2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)o3)CC2)n1,ORVFALJHQZPONO-UHFFFAOYSA-N
-rxn:4:214836:222799,Cc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1S(=O)(=O)NC(C)(C)C,ZIVVNTQRGUPZEM-UHFFFAOYSA-N
-rxn:4:214838:224268,CC(C)(C)OC(=O)n1ncc2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccc21,OGHGBAHFUICQAI-UHFFFAOYSA-N
-rxn:4:214854:225810,COc1ccc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)c(C2OCCO2)c1,ULYOBSDALLDJJT-UHFFFAOYSA-N
-rxn:4:214854:226652,Cc1cc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)n(C2CCCCO2)n1,SIYQUNGHXNNUBH-UHFFFAOYSA-N
-rxn:4:214862:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,ODNRRZYURVRKNT-UHFFFAOYSA-N
-rxn:4:214862:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,XARLHXSQFVEPCE-UHFFFAOYSA-N
-rxn:4:214868:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)c2)CC1,FBCAFMACVZCRIG-UHFFFAOYSA-N
-rxn:4:214872:226246,CCCCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1F,ZIJSLPCJMDWCPJ-UHFFFAOYSA-N
-rxn:4:215052:223579,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1S(=O)(=O)n1nnc2cc(Cl)ccc21,TVBXVMMWCXXMEA-UHFFFAOYSA-N
-rxn:4:215063:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1,CNVPAFGRCWOSGS-UHFFFAOYSA-N
-rxn:4:215094:225262,COc1cc(C(=O)N(C)OC)ccc1-c1ccc2c(c1)sc(=NC(=O)CN1C(=O)CCC1=O)n2C,RFBAUUXQHCEEGW-UHFFFAOYSA-N
-rxn:4:215108:222902,COC(=O)CNC(=O)c1cccc(-c2c3c(nn2C)CN(C(=O)OC(C)(C)C)CC3)c1,NFOINQFCHPCDEN-UHFFFAOYSA-N
-rxn:4:215148:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,RLHRWYHXAXFWTD-UHFFFAOYSA-N
-rxn:4:215195:223603,O=C(c1cc2n(n1)CC(c1ccc(-c3cc(OCc4cccnc4)c(OC(F)(F)F)cc3Cl)cc1)OC2)N1CCOCC1,SIVONJVRGFNRPO-UHFFFAOYSA-N
-rxn:4:215197:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,PJQWYXBYSJNBGG-UHFFFAOYSA-N
-rxn:4:215198:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c2)CC1,KBUVWMAZKVNYMX-UHFFFAOYSA-N
-rxn:4:215215:222447,COc1ccc2c(c1-c1ccc3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3c1)N=C(NC(=O)OC(C)(C)C)C2,QHXAOPWJAHCDAV-UHFFFAOYSA-N
-rxn:4:215216:226686,Cc1cnn(C2CCCCO2)c1-c1ccc2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2c1,JVLASFPPBOCYFE-UHFFFAOYSA-N
-rxn:4:215219:226231,CCCCOc1ncc(-c2ccc3ccc(N4CCOC(C(=O)N5CCOCC5)C4)nc3c2)cc1C,JXVCCFLBNBKXGV-UHFFFAOYSA-N
-rxn:4:215228:224656,COc1ccc(-c2ccc3nc(N4CCN(C(=O)C5CCCCC5)CC4)sc3c2)c(F)c1OC1CCCC1,IYVVWKCAYJPRIB-UHFFFAOYSA-N
-rxn:4:215295:227680,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3cccc4c3OC(F)(F)O4)cnc12,UIQXWBYCJMFVDM-UHFFFAOYSA-N
-rxn:4:215843:223845,CN1CCN(C(=O)c2ccnc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)c2)CC1,RDMZGSUVQNZOSC-UHFFFAOYSA-N
-rxn:4:215848:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnn(C3CCN(S(C)(=O)=O)CC3)c2)CC1,CTRVHADHDMFJMA-UHFFFAOYSA-N
-rxn:4:215911:224664,CN1CCN(Cc2cc(F)cc(-c3cc(N4CCN(C)CC4)c([N+](=O)[O-])cc3F)c2)CC1,MLCBSBDHUJLFFQ-UHFFFAOYSA-N
-rxn:4:215912:224571,CC(C)N1CCN(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2)CC1,LNPSXPCFBSKUDL-UHFFFAOYSA-N
-rxn:4:215940:223785,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2Cl)CC1,ZKNDEJHQCAMIRJ-UHFFFAOYSA-N
-rxn:4:215941:223784,CCN1CCN(CCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2F)CC1,JCSSUJZSNHQXCR-UHFFFAOYSA-N
-rxn:4:215987:224490,CC1CCCCN1c1cc(C(C)(C)C)nc(-c2ccccc2OCCN2CCCCC2)n1,RKPQYIDQIFNCFG-UHFFFAOYSA-N
-rxn:4:216204:223712,COc1ccc2c(n1)c(-c1ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c1)nn2C1CCCCO1,PDGJAOBYUJDXES-UHFFFAOYSA-N
-rxn:4:216208:223712,COc1ccc(-c2nn(C3CCCCO3)c3c(OC)nccc23)cc1C12CC3CC(CC(C3)C1)C2,WILFIIBNHLGHJM-UHFFFAOYSA-N
-rxn:4:216319:224011,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(F)c4)ccc3S2(=O)=O)n1,LLUOJYFAFAGOTQ-UHFFFAOYSA-N
-rxn:4:217107:223648,CN1CCN(c2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)C1=O,INNQPOUCMHHAQQ-UHFFFAOYSA-N
-rxn:4:217140:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccnc(N4CCC(F)(F)CC4)n3)ccc2OC(F)(F)F)CC1,SNVWWDDYSNZAOJ-UHFFFAOYSA-N
-rxn:4:217905:226183,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnccc4C4CCCCC4)ccc2OC32CCN(C)CC2)o1,ASADWZOUDQGSGY-UHFFFAOYSA-N
-rxn:4:217907:224845,CN1CCC2(CC1)Oc1ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc1C1CC(c3ccc(Cl)cc3)=NN12,MPTXYMKWFARUHM-UHFFFAOYSA-N
-rxn:4:218589:222693,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)C2)cc1,QIKMBQVKZUMUCV-UHFFFAOYSA-N
-rxn:4:218601:223085,CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Cn3cc(-c4cnc(Cl)c(N5CCC(O)C5)c4)cn3)C2)cc1,WYEBIIUVPYOMMJ-UHFFFAOYSA-N
-rxn:4:218620:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(OCC2CCCN(Cc3csc(C4CC4)n3)C2)nc1,VZWWHLIKLPFQDS-UHFFFAOYSA-N
-rxn:4:218631:228681,O=C1C(N2CCC(COc3ncc(-c4ccnn4CC4CC4)cn3)CC2)CCN1CC(F)(F)F,YFFLORGEZWIICZ-UHFFFAOYSA-N
-rxn:4:218652:224182,Cc1cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1OCCN1CCOCC1,VHFSONRROJEFFO-UHFFFAOYSA-N
-rxn:4:218652:227264,COCc1cc(OC)ccc1-c1cnc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cn1,VFKTWAKSJQMUGJ-UHFFFAOYSA-N
-rxn:4:218700:222561,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(C(=O)NCc5ccc(F)cc5)c4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,AICGFGMAWBCGMH-UHFFFAOYSA-N
-rxn:4:218753:223532,CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)c(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)no2)c1=O,QQZPAEVAUXRVBF-UHFFFAOYSA-N
-rxn:4:218867:225638,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCC(C)CC4)nc3)c2)no1,PMLTYCNIFCOKIJ-UHFFFAOYSA-N
-rxn:4:218867:226180,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)nc(C4CCCC4)c3)c2)no1,BZWPSPPBJMRFIR-UHFFFAOYSA-N
-rxn:4:218867:226425,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCC4C)s3)c2)no1,DNEHKLUPZYIJQW-UHFFFAOYSA-N
-rxn:4:218867:226645,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCOCC4)c3)c2)no1,BPDPVMSZXPGDIS-UHFFFAOYSA-N
-rxn:4:218889:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)on5)C4)nc3)c(F)c2)CC1,ITUPLNQMCSLWFB-ANRZFKABSA-N
-rxn:4:218919:223790,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)C2)cn1,XTMXEPJASDYEJQ-UHFFFAOYSA-N
-rxn:4:218968:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)c3ccccc23)CC1,FZEQJMQWLBYZKB-UHFFFAOYSA-N
-rxn:4:218973:223812,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nc1,SBMVFDPXTNIPTP-UHFFFAOYSA-N
-rxn:4:218975:224771,Cc1ccc(-c2cnc(N3CCC(COc4ncccc4C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCCC1,JMBPIMHLQKESCJ-UHFFFAOYSA-N
-rxn:4:218976:225300,O=C1C(N2CCC(Oc3ncc(-c4ccc(OC5CCOCC5)nc4F)cn3)CC2)CCN1CC(F)(F)F,MLSQRORITGZIHV-UHFFFAOYSA-N
-rxn:4:218991:228140,CC(c1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)s1)N(C)C,RFEHARHXLAGUJI-UHFFFAOYSA-N
-rxn:4:218992:223054,CC(c1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)s1)N1CCC(O)C1,AGXZMPBQFUQORR-UHFFFAOYSA-N
-rxn:4:218998:223600,Cc1ccc(S(=O)(=O)n2cc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c3cc(Cl)cnc32)cc1,FKYCPOBMLPUEGG-UHFFFAOYSA-N
-rxn:4:219002:225898,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c1=O,LBOWANOIQHPISA-UHFFFAOYSA-N
-rxn:4:219028:223071,CCS(=O)(=O)NCc1ccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)cc1,AICFSZCGKIKTEF-UHFFFAOYSA-N
-rxn:4:219072:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)s1,OGZJXZUWGNBEKH-UHFFFAOYSA-N
-rxn:4:219100:222948,CC(=O)Cn1c(-c2cnc(N3CCC(O)CC3)nc2Cl)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,ZOQJCDJETXJDJZ-UHFFFAOYSA-N
-rxn:4:219117:222585,CCOc1ccc(C(=O)Cn2c(-c3ccccc3C(=O)NCCN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,HYXTZFAMPKAAHV-UHFFFAOYSA-N
-rxn:4:219129:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)cc2Cl)CC1,GEWABMLJJCXKOX-UHFFFAOYSA-N
-rxn:4:219145:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cnccc2OC2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)c1,SNISGKJTDKVQLT-UHFFFAOYSA-N
-rxn:4:219162:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cnc(OC2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)nc1,ZKDGVEKVLOFDSM-UHFFFAOYSA-N
-rxn:4:219371:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,AXYDXEWGHGNNNX-UHFFFAOYSA-N
-rxn:4:219402:222634,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,JSUGOWZWJNWWDN-UHFFFAOYSA-N
-rxn:4:219405:222634,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,ZWESTOKFAFAHMJ-UHFFFAOYSA-N
-rxn:4:219405:225167,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cc(F)cc(C(=O)N4CCCC4)c3)n2)CC1,NUHAFORCKUHUGT-UHFFFAOYSA-N
-rxn:4:219464:222546,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,HYSAFXXYTSCJCN-UHFFFAOYSA-N
-rxn:4:219471:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,FBCJXJQNXOIHHI-UHFFFAOYSA-N
-rxn:4:219479:225466,CC1CCCCN1c1ccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cc1,NLVNWYCEZCGTDY-UHFFFAOYSA-N
-rxn:4:219506:225464,CC1CCCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)c2)C1,IXIQSPWFJIOEOX-UHFFFAOYSA-N
-rxn:4:219551:222634,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)C1=O,PRXUIOMFFMHKEZ-UHFFFAOYSA-N
-rxn:4:219651:223041,COc1ccc(-c2cc(C(=O)NC3CC3)ccc2F)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,WFBXREIXVQSAMP-UHFFFAOYSA-N
-rxn:4:219653:222634,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)nc3s2)CC1,WBFXXNJNZBGCDA-UHFFFAOYSA-N
-rxn:4:219690:222584,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc32)CC1,CRSFSLWFICOUMQ-UHFFFAOYSA-N
-rxn:4:219692:224176,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCSC4CCOCC4)cc3)c3cnc(Cl)nc32)CC1,GZTRRRYMTKWSFX-UHFFFAOYSA-N
-rxn:4:219856:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(n5ccnn5)CC4)o3)ccc2OC)CC1,UHEJLWXJCODCJO-UHFFFAOYSA-N
-rxn:4:219902:224252,CC1CCCN(C(=O)c2ccc(-c3cncc([N+](=O)[O-])c3N3CCN(C(C)C)CC3)cc2F)C1,RGKZHHGIIBCJAH-UHFFFAOYSA-N
-rxn:4:219904:223575,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,AIDJZXRDLCMZMP-UHFFFAOYSA-N
-rxn:4:219905:222934,CCNC(=O)c1cc(-c2cnc(N3CCN(C4CCC4)CC3)c(C#N)c2)cc([N+](=O)[O-])c1,HBXYNUVFNXDMDQ-UHFFFAOYSA-N
-rxn:4:219908:222584,CN1CCCN(c2oc(-c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)nc2C#N)CC1,SWZRRGNDYHUSGO-UHFFFAOYSA-N
-rxn:4:219934:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc2F)CC1,KBGAGYYCAVDJAL-UHFFFAOYSA-N
-rxn:4:219937:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1,ATGNRJDMGLCTLZ-UHFFFAOYSA-N
-rxn:4:219955:225182,O=C(C1CN(c2ncc(-c3ccnc(OC4CCCCC4)c3Cl)cn2)CCO1)N1CCSCC1,YMWIJXVQLJYRLY-UHFFFAOYSA-N
-rxn:4:219981:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)nc1,OPHIAZLKFLBIEA-UHFFFAOYSA-N
-rxn:4:219982:223606,Cc1ccc(N2CCN(Cc3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cc3)CC2)nn1,DWSWWCVIXUEAGR-UHFFFAOYSA-N
-rxn:4:220149:223927,C[Si](C)(C)CCOCn1c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)cc2cccnc21,CKKNAJMTDPRBST-UHFFFAOYSA-N
-rxn:4:220150:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)cc1,JZJSSGDHMYWWBL-UHFFFAOYSA-N
-rxn:4:220162:222855,COc1cc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)cc(C2CCCNC2)c1,YJXJESMONAHTIC-UHFFFAOYSA-N
-rxn:4:220162:224960,COc1ccc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)cc1OC1CCCC1,RTUMVGVCMOSXFY-UHFFFAOYSA-N
-rxn:4:220162:226548,COC(=O)Cc1ccc(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)c(Cl)c1,LGHOHXKOFBAAQZ-UHFFFAOYSA-N
-rxn:4:220204:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N5CCOC(C(=O)N6CCOCC6)C5)c4c3)c2)CC1,UNTUFDFFLMETSP-UHFFFAOYSA-N
-rxn:4:220209:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCCc4cnc(N5CCOCC5)nc43)cc2)CC1,OLCVYHBESXJLKO-UHFFFAOYSA-N
-rxn:4:220429:224949,COc1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc1CN1CCCC1,LOUVGBIVQBSVKL-UHFFFAOYSA-N
-rxn:4:220430:225080,COC(=O)C1CCc2cc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)ccc2O1,YJFMRZPQSUAVBD-UHFFFAOYSA-N
-rxn:4:220540:225222,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(N6CCCCC6C)ncc5F)cc4)C3C2=O)c1,YJMJHYWPAMXMOA-UHFFFAOYSA-N
-rxn:4:220550:223528,Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccccc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1)C3,QTOPKAIIUIWZBK-UHFFFAOYSA-N
-rxn:4:221107:225178,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCOCC5)cc4F)cn3)C2)c(=O)c1C,YDSVZOXUDHVVAV-UHFFFAOYSA-N
-rxn:4:221113:228079,O=C1OCc2c1cccc2-c1ccccc1CC(=O)N1CCN(Cc2nncn2C2CCCCC2)CC1,BPKRZPHHNXKILL-UHFFFAOYSA-N
-rxn:4:221116:223003,CCOc1ccc(-c2ccc(Cl)c(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,HPDOPBWTNUXVAI-UHFFFAOYSA-N
-rxn:4:221117:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N(CCN5CCOCC5)C(=O)c5cnccn5)sc4c3)c2)CC1,QNRXLZQFHUUERG-UHFFFAOYSA-N
-rxn:4:221121:227376,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(N6CCCC6)c5)ccc43)CC2)CC1,TZDQBAAQTZSGSY-UHFFFAOYSA-N
-rxn:4:221157:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCN(CCn2ccnc2)CC1,HPRUHCJSGBCENU-UHFFFAOYSA-N
-rxn:4:221167:224022,COc1cc(N2CCCC(COc3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)C2)ncn1,WAWZMRFJXCDOBC-UHFFFAOYSA-N
-rxn:4:221175:224152,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(-c5cncnc5)cc(C(C)(C)C)c4)cn3)C2)C(=O)C1=O,IBUWNKFWAYUBSB-UHFFFAOYSA-N
-rxn:4:221181:222634,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)nn1C,IPYNDLAYJPEIQG-UHFFFAOYSA-N
-rxn:4:221232:223743,Cc1ccc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)cc1OCCCN1CCC(C)CC1,NFHYOOIXELSUBD-UHFFFAOYSA-N
-rxn:4:221245:223911,CCOC(=O)C1(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)cc2)CCOCC1,UFWGOUBQNHZHPK-UHFFFAOYSA-N
-rxn:4:221250:225009,Cc1cnc(OC2CCCCC2)c(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c1,WEUZTSNBBVCPQI-UHFFFAOYSA-N
-rxn:4:221272:225984,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,RRBSAIIEQKMENE-UHFFFAOYSA-N
-rxn:4:221359:223480,Cc1cc(-c2cnccc2OC2CCN(Cc3nnc(C)n3C)C2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UMONCUGBIBWCQG-UHFFFAOYSA-N
-rxn:4:221374:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nccn(C)c5=O)C4)nc3)c2)CC1,OQOOAJVFWRRUFO-UHFFFAOYSA-N
-rxn:4:221406:222537,CN(C)c1cc(N2CCN(Cc3cccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)c3)CC2)ncn1,OADNZNIHMCTSLY-UHFFFAOYSA-N
-rxn:4:221418:223569,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4F)c3)CC2)nn1,TUBFCAFOXCFUBW-UHFFFAOYSA-N
-rxn:4:221433:225916,COC(=O)c1cc(OC)c(F)c(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,CREBZXBUTAXPBQ-UHFFFAOYSA-N
-rxn:4:221449:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,QLASWFBSVHQWCX-WXUXXXNLSA-N
-rxn:4:221455:227797,O=C(c1ccc(-c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,CTXRHKZUENVNIH-UHFFFAOYSA-N
-rxn:4:221645:222698,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4ccc(C(=O)N5CCC(O)CC5)c(Cl)c4)cn3)CC2)n1,VGXQBTBQRYUAGG-UHFFFAOYSA-N
-rxn:4:221937:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nn5)CC4)nc3)c2)C1,JBEALFWGFUFBAO-UHFFFAOYSA-N
-rxn:4:221965:223179,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)NOC)c5)cc4)CC3)nn2)CC1,JQWSMHHQPINLAJ-UHFFFAOYSA-N
-rxn:4:221967:222521,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c3)cc2)c1=O,VCGMJCZZIUDBFN-UHFFFAOYSA-N
-rxn:4:221985:225875,Cn1cc(-c2nc3cnc(-c4ccc(N5CCOCC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NZLIHULZPCHHJB-JOCHJYFZSA-N
-rxn:4:222002:223902,CC1CCN(CCOc2ccc(-c3cnc(N4CCC(N(C)c5ncc(Cl)cn5)CC4)c(C#N)c3)cc2F)CC1,DAILOFUTZDWGSV-UHFFFAOYSA-N
-rxn:4:222021:222638,Cc1ncnc(N(C)CC2CCN(c3ncc(-c4cccc(C(C)NC(=O)OC(C)(C)C)c4)cn3)CC2)c1F,IMMLCHRVVUJKQZ-UHFFFAOYSA-N
-rxn:4:222062:228630,CCc1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,XHDNSUPEPYYECQ-UHFFFAOYSA-N
-rxn:4:222075:222602,CC(C)Cc1cc(-c2cnn(CC3CN(c4nccn5nc(C6CC6)cc45)C3)c2)c(S(=O)(=O)NC(C)(C)C)s1,IEIGXNSYJZPDLR-UHFFFAOYSA-N
-rxn:4:222108:224772,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCOCC7)cc6Cl)cc5)no4)C3C2=O)cc1F,NBKABAHXSRYZNT-UHFFFAOYSA-N
-rxn:4:222185:222465,COc1ccccc1N1CCN(c2ncnc3n[nH]c(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)c23)CC1,QTEJLZWZVSZAQQ-UHFFFAOYSA-N
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-rxn:4:222363:226421,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)cc4N4CCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CZRNOHGGPMNOGP-UHFFFAOYSA-N
-rxn:4:222380:222693,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)NC7CCCCC7)cc6)cn5)CC4C3)ncnc21,KVIQHZDQIASDNE-UHFFFAOYSA-N
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-rxn:4:222389:197957,CC1CN(C2CCc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc32)CCO1,PXEUSZLDIXAWSC-UHFFFAOYSA-N
-rxn:4:222389:207736,CN1C2CCC1CC(Oc1ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn1)C2,LAAKULWVRYOECS-UHFFFAOYSA-N
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-rxn:5:177373:227803:226425,CC1CCCCN1c1ccc(-c2ccc(OCC3OCCO3)c(-c3ccnn3S(=O)(=O)N(C)C)c2)s1,KKERCRFQJYBDGS-UHFFFAOYSA-N
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-rxn:5:177891:223017:223138,COC(=O)c1cccc2cc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccnc(C4CCNCC4)c3)[nH]c12,XZNTXKZGDLOZPZ-UHFFFAOYSA-N
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-rxn:5:177891:223139:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccc(C2CCNCC2)nc1,DJOYLHXYMLVAQC-UHFFFAOYSA-N
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-rxn:5:177891:223288:226645,CNS(=O)(=O)c1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(N3CCOCC3)c2)c1,LOHJXCRRCVYXBN-UHFFFAOYSA-N
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-rxn:5:177891:225798:228631,O=C(SC1CS(=O)(=O)CC1c1ccsc1C1CCC1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,XTWLWIJEBUUFCW-UHFFFAOYSA-N
-rxn:5:177891:225799:229085,O=C(SC1CS(=O)(=O)CC1c1scnc1C1CC1)c1ccccc1-c1cncc(OC2CCOCC2)c1,HESLDTKLGBSWNG-UHFFFAOYSA-N
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-rxn:5:177891:225805:227517,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(OC3COC3)nc2)s1)N1CCOCC1,LPOCMZIRLSAKGU-UHFFFAOYSA-N
-rxn:5:177891:226330:228349,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnn(C3CCOC3)c2)s1)N1CCCC1,ZVXJUTZHYJDFGN-UHFFFAOYSA-N
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-rxn:5:177891:226590:228879,O=C(SC1CS(=O)(=O)CC1c1ccnn1C1COC1)c1ccccc1-c1ccc(OC2CCOC2)nc1,OUCHZFSBQUWVGX-UHFFFAOYSA-N
-rxn:5:177891:226643:226643,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)nc1,VHVXBMCYJLMMND-UHFFFAOYSA-N
-rxn:5:177891:226644:227684,O=C(SC1CS(=O)(=O)CC1c1cnn(CC2OCCO2)c1)c1ccccc1-c1cncc(N2CCOCC2)c1,QNMCHPOFGFOKNE-UHFFFAOYSA-N
-rxn:5:177891:226645:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(N3CCOCC3)c2)s1)N1CCCC1,WUJGVUGADRAEDD-UHFFFAOYSA-N
-rxn:5:177891:226665:226331,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCCOC4)nc3)c(F)c2)CC1,IPINTRUOLHIWIK-UHFFFAOYSA-N
-rxn:5:177891:226729:228307,CON(C)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(OC3CCOC3)nc2)ccn1,HXWNZRXRVNVQHN-UHFFFAOYSA-N
-rxn:5:177891:227426:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccc(C2CCCO2)nc1,ODOJJFOPTXTKBC-UHFFFAOYSA-N
-rxn:5:177891:227437:226132,Cc1cc(C2(C#N)CC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(C2CCCO2)c1,WQYZIPVIVVFENL-UHFFFAOYSA-N
-rxn:5:177891:227438:223242,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNC2)c1)c1ccccc1-c1ccnc(C2CCOC2)c1,WHNNEZFDVLKWLH-UHFFFAOYSA-N
-rxn:5:177891:227438:227028,N#CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCOC4)c3)c2)CC1,LWMUQWRPEAIFJA-UHFFFAOYSA-N
-rxn:5:177891:227438:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(C2CCOC2)c1,KKUCRYDHRPRDIF-UHFFFAOYSA-N
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-rxn:5:177891:227517:227404,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCCCC2)cs1)c1ccccc1-c1ccc(OC2COC2)nc1,NLSLSGNWCSHOJL-UHFFFAOYSA-N
-rxn:5:177891:228002:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1sccc1C1CCCC1,SIXBNBPVHTXVBA-UHFFFAOYSA-N
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-rxn:5:177970:223008:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3cc(C4CCNCC4)ccc3F)c2)c([N+](=O)[O-])s1,SZQIIRVDABQERG-UHFFFAOYSA-N
-rxn:5:178118:227587:225677,COc1cc(-c2ccc(-c3ccc(C4CCCCC4)nc3F)cc2OCC2CCCCO2)cc(F)c1OC,BIMGNELWQKAZTB-UHFFFAOYSA-N
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-rxn:5:178121:225677:227587,COc1cc(-c2cccc(OCC3CCOCC3)c2-c2ccc(C3CCCCC3)nc2F)cc(F)c1OC,IHDYSXAMJXVBLR-UHFFFAOYSA-N
-rxn:5:178224:225671:226464,COc1ccc2c(c1-c1cc(OCC3CCCCC3)cc(-c3cc(C4CCCCC4)ncc3F)c1)OCCO2,UJDQRIAQQHQECF-UHFFFAOYSA-N
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-rxn:5:178295:223011:223113,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cc3[nH]ncc3cc2OC(C)C)CCC(=O)CC1,VOBSUMMMVHLVFL-UHFFFAOYSA-N
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-rxn:5:180297:226745:226437,CCc1ncc(C(F)(F)F)cc1-c1cc(OC)c(-c2cc(C3CCCC3)ncc2F)cc1C1(C)OCCO1,LWUJJZOOQMQLEB-UHFFFAOYSA-N
-rxn:5:180421:226686:227611,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccnn1C1CCCCO1,ABMGQFDQKQHCHD-UHFFFAOYSA-N
-rxn:5:180602:223065:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(N4CCNCC4)cc3F)c2O1,WSPBLJHRWCXDTR-UHFFFAOYSA-N
-rxn:5:180602:225833:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3F)c2O1,FUQWNOSWWVMQJV-UHFFFAOYSA-N
-rxn:5:180602:225976:223056,COC(=O)C1Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,NMIASNVJNBKPOI-UHFFFAOYSA-N
-rxn:5:180662:223061:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,GUYBMGSREQSIGB-UHFFFAOYSA-N
-rxn:5:180662:223135:226188,COC(=O)C1=Cc2cc(-c3cc(C)c([Si](C)(C)C)cc3C)cc(-c3cccnc3C3CCCNC3)c2OC1,WSJSTWGWZPTMJU-UHFFFAOYSA-N
-rxn:5:180662:225499:227353,COC(=O)C1=Cc2cc(-c3c(C)cc(OC)cc3OC)cc(-c3ccc(C4CCCCC4)cc3F)c2OC1,VVDMANJAUTXKGK-UHFFFAOYSA-N
-rxn:5:180662:225636:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,GVKWECVKCDEZTQ-UHFFFAOYSA-N
-rxn:5:180662:225880:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(C4CCOCC4)ncc3F)c2OC1,QJEDVGSRMPSCQI-UHFFFAOYSA-N
-rxn:5:180662:226064:226783,COC(=O)C1=Cc2cc(-c3c(OC)cc(F)c(F)c3OC)cc(-c3ccc(C4CCCCC4)cc3)c2OC1,CBLYPSSLDFIHBF-UHFFFAOYSA-N
-rxn:5:180662:227449:226432,COC(=O)C1=Cc2cc(-c3ccc(C4CCCC4)nc3F)cc(-c3ccc(C4CCOCC4)s3)c2OC1,QXTIZOOUKLULTI-UHFFFAOYSA-N
-rxn:5:181907:222988:225884,Cc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2ccc(C3COCCO3)c(F)c2)c(C2OCCO2)c1,UFYKPIXNGVDKAR-UHFFFAOYSA-N
-rxn:5:181908:225639:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cccnc2N2CCC(C)CC2)cc(C2CCNCC2)c1,ZNUDWTDOFJGQMX-UHFFFAOYSA-N
-rxn:5:182010:225832:223139,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1C1CCOCC1,OVOZVWFADRYTBF-UHFFFAOYSA-N
-rxn:5:182012:223064:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1C1CCCOC1,CRPKOAUOUGNGFQ-UHFFFAOYSA-N
-rxn:5:183189:222956:222998,Cc1ccc(-c2cc(-c3cc(F)cc(C4CCCNC4)c3)cc3c2OC(C)(C)OC3)c(C2CCCNC2)c1,YVVZCKGKLBDQKS-UHFFFAOYSA-N
-rxn:5:183189:222986:223008,Cc1cc(-c2cc(-c3cc(C4CCNCC4)ccc3F)cc3c2OC(C)(C)OC3)cc(C2CCCNC2)n1,ZWUNBFKNGONBIV-UHFFFAOYSA-N
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-rxn:5:183228:223062:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)cc2c1OC(C)(C)CC2,PEEHSVZNGHVYDZ-UHFFFAOYSA-N
-rxn:5:188445:223065:225849,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)cc([N+](=O)[O-])c1-c1cnc(N2CCCCC2)cc1F,FMOYYIGXMDMGMG-UHFFFAOYSA-N
-rxn:5:188448:226366:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)c([N+](=O)[O-])cc1-c1ccnc(N2CCCCC2)c1,WGFRLDGRCVUNRW-UHFFFAOYSA-N
-rxn:5:189207:226068:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)cc1C(=O)ON1C(=O)CCC1=O,UMJSVTJDLXVJGM-UHFFFAOYSA-N
-rxn:5:189207:227946:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2ccc(C(C)(C)C)nc2)cc1C(=O)ON1C(=O)CCC1=O,PAWFNVFDMQNISZ-UHFFFAOYSA-N
-rxn:5:189208:225818:229013,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1-c1sccc1C1CC1,UORZOEMEPJRBNW-UHFFFAOYSA-N
-rxn:5:189210:226763:225654,COC(=O)c1c(F)cc(-c2cccc(-c3ccc(N4CCCC(C)C4)nc3)c2C(=O)ON2C(=O)CCC2=O)cc1F,DYMNDJRCVIXZBR-UHFFFAOYSA-N
-rxn:5:189211:226861:228376,N#Cc1c(F)cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(OC(F)(F)F)c(F)c2)cc1F,IZUOGDKTENOVAY-UHFFFAOYSA-N
-rxn:5:189212:223013:225600,COC(=O)c1ccc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cccnc3OC3CCCCC3)[nH]c2c1,BIBCKMZJPMHAEN-UHFFFAOYSA-N
-rxn:5:189512:225465:226031,CN1CCC(c2cccc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)c4cccc(-c5ccc(C(F)(F)F)cc5C(F)F)c4)c3)c2)CC1,NRKRYYXDUDEDHG-UHFFFAOYSA-N
-rxn:5:189512:225499:225636,CC1CCN(c2cc(-c3cccc(S(=O)(=O)c4cc(-c5ccc(C6CCCCC6)cc5F)ccc4[N+](=O)[O-])c3)ccn2)CC1,XBMBXOYHZNQGIZ-UHFFFAOYSA-N
-rxn:5:189665:225592:227680,Fc1ccc(CN2CCCC2)c(-c2cnc(OCC3CCOCC3)c(-c3cccc4c3OC(F)(F)O4)c2)c1,JIITXAUXHNDVTP-UHFFFAOYSA-N
-rxn:5:189665:226432:226464,COc1ccc2c(c1-c1cc(-c3ccc(C4CCCC4)nc3F)cnc1OCC1CCOCC1)OCCO2,QLCFBPRRANYIRE-UHFFFAOYSA-N
-rxn:5:189673:223010:226067,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3(O)CCOCC3)cc2)cc1-c1ccc(C2=CCCCC2)cc1,LRGUGRBCKZAADK-JWHWKPFMSA-N
-rxn:5:189718:227768:226189,CN(C)S(=O)(=O)n1cccc1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccc(C2CCCC2)c(F)c1,NVRCOJSOMRRQDT-UHFFFAOYSA-N
-rxn:5:189829:228678:225587,COc1c(-c2cccc(CN3CCOCC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccnn1CC(C)C,QOVTVKDPAMVJQV-UHFFFAOYSA-N
-rxn:5:189909:225980:227020,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cncc(C#CC3CC3)c2)cc1CCN1CCOCC1,WJSDASWDJWCFSM-UHFFFAOYSA-N
-rxn:5:189909:226053:227062,CCOc1ccc(-c2ccc(-c3ccc(F)c(OC(F)(F)F)c3F)c(CCN3CCOCC3)c2)c(C)c1C,SEIGPCUPVOKLSF-UHFFFAOYSA-N
-rxn:5:189909:226395:225849,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,PGSRJWVOMNZSAX-UHFFFAOYSA-N
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-rxn:5:189952:223065:225833,COc1c(-c2ccc(N3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,JHAVCJATYGKWLJ-UHFFFAOYSA-N
-rxn:5:190000:226426:226364,CC1CCN(c2ccc(-c3cc(-c4ccc(N5CCCCC5)nc4)ccc3CC(=O)N3CCCCC3)s2)CC1,LDKGLIWQFRGZIV-UHFFFAOYSA-N
-rxn:5:190131:228434:225623,COc1c(-c2cccc(OC3CCOCC3)c2)cc(C(=O)N2CCCCC2)cc1-c1ccc(C(F)F)c(F)c1,PJIAMWKYFIWRSD-UHFFFAOYSA-N
-rxn:5:190194:225498:227371,COc1c(C)ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)ccc2F)c1OC,XKKGYCJFKCNTBA-UHFFFAOYSA-N
-rxn:5:190194:227055:226064,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2)cc1C1CC1,RRIOZTHLJUSOQS-UHFFFAOYSA-N
-rxn:5:190194:227561:225598,COc1cc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(CN3CCSCC3)c2)cc1OC,DQJRJRYBPXFSNF-UHFFFAOYSA-N
-rxn:5:190197:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2cnc(C3CCNCC3)cc2F)c1,FFMYUAGBRLEFQZ-UHFFFAOYSA-N
-rxn:5:190199:226588:225655,CC1CCN(c2cncc(-c3ccc(-c4cc(OC5CCC5)ncc4F)c(CN(C)C4CCOCC4)c3)c2)CC1,HVMROKZDAZJSMC-UHFFFAOYSA-N
-rxn:5:190201:223006:222417,CC1CN(CCc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2cnc(=O)[nH]c2C(C)C)CCO1,WIAPBKMDYLBQAW-UHFFFAOYSA-N
-rxn:5:190201:223113:225784,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccc(CN3CCOCC3)nc2)CCO1,HDHXSDBDOSCMQA-UHFFFAOYSA-N
-rxn:5:190264:226137:227353,COc1cc(C)c(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2cc(C3CC3)cnc2C(C)C)c(OC)c1,GCDQJKWVDNGIKS-UHFFFAOYSA-N
-rxn:5:190308:225653:227868,CC1CCCN(CCc2cc(-c3ccc(N4CCCCC4C)nc3)ccc2-c2ccc3c(c2)OCCC3)C1,MWPKCLTWESUMPU-UHFFFAOYSA-N
-rxn:5:190484:226068:228220,Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)C)ncc3F)S(=O)(=O)CC2)c1,MMJUMVIZGNTKEI-UHFFFAOYSA-N
-rxn:5:190484:227120:228490,O=C(c1cccc(-c2ccc(C3CCC3)cc2F)c1)N1CCC(c2ccccc2-c2cccc(S(=O)(=O)F)c2)S(=O)(=O)CC1,PKDGZDTVNOTQBZ-UHFFFAOYSA-N
-rxn:5:190484:229009:225881,O=C(c1cccc(-c2cc(C3CC3)cs2)c1)N1CCC(c2ccccc2-c2ccc(C3CCOCC3)nc2F)S(=O)(=O)CC1,LKMRIXBTSMFKSD-UHFFFAOYSA-N
-rxn:5:190587:226426:225943,CCOC(=O)c1cc2c(-c3ccc(N4CCC(C)CC4)s3)ccc(-c3ccc(C(=O)N4CCOCC4)s3)c2[nH]1,WVHHFTIPQHYHMZ-UHFFFAOYSA-N
-rxn:5:190680:223054:227070,CCOc1cc(C)c(C)cc1-c1c(-c2ccc(C(C)N3CCC(O)C3)s2)ccc2c1c(OC(C)=O)cn2C(C)=O,UZLVOIOJDXCYHF-UHFFFAOYSA-N
-rxn:5:190681:222998:225799,CC(=O)Oc1cn(C(C)=O)c2cc(-c3cncc(OC4CCOCC4)c3)c(-c3cc(F)cc(C4CCCNC4)c3)cc12,RMVIRZYHPGJHPG-UHFFFAOYSA-N
-rxn:5:190740:223061:225784,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,NMIDJBNDMRTULT-UHFFFAOYSA-N
-rxn:5:190741:223064:223054,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccc(C(C)N2CCC(O)C2)s1,DZWNXEULUNVVCJ-UHFFFAOYSA-N
-rxn:5:190741:225607:225982,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,FSIJRSDIUQRUFT-UHFFFAOYSA-N
-rxn:5:190742:223061:225803,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccnc(OC2CCOCC2)c1,LGBPUQRTURCGRF-UHFFFAOYSA-N
-rxn:5:190742:225976:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,JDIAKVQJGZMIRG-UHFFFAOYSA-N
-rxn:5:190742:225978:225881,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(C2CCOCC2)nc1F,YGAAMMZYPSYICB-UHFFFAOYSA-N
-rxn:5:190742:226583:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccnc(N2CCOCC2)c1F,LGZIDWHFNJLVFT-UHFFFAOYSA-N
-rxn:5:190742:226662:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cnc(N2CCOCC2)cc1F,DSDUVUQCXMGBRJ-UHFFFAOYSA-N
-rxn:5:190743:223064:223062,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,DSNNHDWCPHSVMA-UHFFFAOYSA-N
-rxn:5:190744:225978:225976,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,DZEQTJABODLUKE-UHFFFAOYSA-N
-rxn:5:190833:226710:229076,Cc1cc(C#N)sc1-c1ccc(-c2ccc(F)c([Si](C)(C)C)c2F)c2c1CN(C(=O)OC(C)(C)C)C2=O,BLVBWJXOQGQIRI-UHFFFAOYSA-N
-rxn:5:190833:228149:225595,COC(=O)c1ccccc1-c1ccc(-c2ccc(F)c(CN3CCCC3)c2)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,ILAKGTLWEINEKV-UHFFFAOYSA-N
-rxn:5:190998:228197:223142,COC(=O)c1cc(-c2ccc(C3CCCNC3)nc2)ccc1N1Cc2cc(-c3cnc(C(C)(C)C)nc3)ccc2OCC1=O,UIZXPCSXTDZMJS-UHFFFAOYSA-N
-rxn:5:191026:227076:227087,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)cnc4C(C)(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,OEZXXVPHGHNHNW-UHFFFAOYSA-N
-rxn:5:191049:226152:226051,COc1cc(N2Cc3cc(-c4cc(C5CC5)cc(OC)c4C)ccc3OCC2=O)c(OC)cc1-c1c(OC(F)(F)F)ccc(F)c1F,SIMDXYXWTWCLLB-UHFFFAOYSA-N
-rxn:5:191049:227752:225641,COc1cc(N2Cc3cc(-c4ccc(C(F)(F)F)cc4F)ccc3OCC2=O)c(OC)cc1-c1ccnc(N2CCCC(C)C2)c1,UQDIULPZSZIXQB-UHFFFAOYSA-N
-rxn:5:192338:223054:225933,CC(c1ccc(-c2ccc(C(C)(C)C#N)c(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2)s1)N1CCC(O)C1,IZJCERQHFWKPBY-UHFFFAOYSA-N
-rxn:5:192565:225639:225985,CC1CCN(c2ncccc2-c2ccc(C3(C#N)CCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,ZYDCPHPSKIENNL-UHFFFAOYSA-N
-rxn:5:192571:225880:225625,O=C(c1cccc(-c2cc(C3CCOCC3)ncc2F)c1-c1cc(OC2CCCC2)ccc1F)N1CCC1,KVXBFHLKDATJBR-UHFFFAOYSA-N
-rxn:5:193055:225652:223173,CC1CCCN(c2cncc(-c3ccc(C4(C#N)CCCC4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)c2)C1,ZCWBKYRDCCHUAE-UHFFFAOYSA-N
-rxn:5:193055:226177:225985,N#CC1(c2ccc(-c3ccnc(C4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)CCCC1,UMBIWTYUUOTEIP-UHFFFAOYSA-N
-rxn:5:193152:223008:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(CN2CCCC2)cc1-c1cc(C2CCNCC2)ccc1F,YKPHVEDSLQYBRS-UHFFFAOYSA-N
-rxn:5:193227:223061:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)cc(-c4cc(C5CCNCC5)ncc4F)c3)c2)CC1,UTLDWMORVGCHGS-UHFFFAOYSA-N
-rxn:5:193229:226583:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccc(CN3CCOCC3)s2)cc(F)n1,CSLMUGYUFOQNSD-UHFFFAOYSA-N
-rxn:5:193230:228695:225607,CC(c1ccc(-c2cc(-c3csc(CN(C)C)c3)ccc2C(=O)N2CCOCC2)s1)N1CCCCC1,DIZGLSOASKHFBT-UHFFFAOYSA-N
-rxn:5:193329:223135:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2cccnc2C2CCCNC2)ccnc1OC1CCCCC1,KYAPSZSHAITXPG-UHFFFAOYSA-N
-rxn:5:193382:223056:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCOCC2)c1,DFTNBKRNRALLCF-UHFFFAOYSA-N
-rxn:5:193382:223147:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(C5CNCCO5)cc4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,LTBYZVPBJFOOGM-UHFFFAOYSA-N
-rxn:5:193382:223189:227657,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)s3)c2)c(F)c1,RZEZXXCFAXTLAS-UHFFFAOYSA-N
-rxn:5:193382:223294:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2csc(N3CCNCC3)n2)ccc1S(=O)(=O)N1CCOCC1,IVGPFRLKJCOCEY-UHFFFAOYSA-N
-rxn:5:193382:226661:225985,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(N5CCCS5(=O)=O)c4)c3)c2)CC1,WRGIRGZHXUTZDY-UHFFFAOYSA-N
-rxn:5:193461:226649:225819,O=C(c1ccc(-c2cccnc2N2CCOCC2)cc1-c1cc(C(F)(F)F)ccc1C1CC1)N1CCCCC1,PQUBAQUNEKYXKT-UHFFFAOYSA-N
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-rxn:5:193972:228722:226658,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC2)nc1F,LAFLLAVRAXXRKX-UHFFFAOYSA-N
-rxn:5:193972:228725:226663,Cc1cc(-c2cc(F)cc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCSCC2)nc1,RNCOCPJKVJMUEY-UHFFFAOYSA-N
-rxn:5:193972:228766:226663,CCc1ccc(-c2cc(C)c(-c3ccc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)n1,MHOXHGJLHRKTTB-UHFFFAOYSA-N
-rxn:5:193972:228846:226794,Cc1cc(-c2cc(C)c(F)c(F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCSCC2)nc1,HLLDNSJBTXAOFI-UHFFFAOYSA-N
-rxn:5:193972:229003:225833,COc1cccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2S(=O)(=O)N2CCCCCC2)c1,ZEJRWQGHXHCWRF-UHFFFAOYSA-N
-rxn:5:193972:229019:222994,Cc1ccc(-c2cc(C)c(-c3cccc(N4CCC(O)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)n1,JHRDOFCVDCGFCL-UHFFFAOYSA-N
-rxn:5:193972:229023:222994,Cc1cc(C)c(-c2cc(C)c(-c3cccc(N4CCC(O)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cn1,APFKOXKIYBNGCX-UHFFFAOYSA-N
-rxn:5:193972:229023:226662,Cc1cc(C)c(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCCC2)cn1,VVXUUMLNYCPKCI-UHFFFAOYSA-N
-rxn:5:193972:229024:223006,Cc1cc(-c2cnc(C)c(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,DANYESHDXKNGAY-UHFFFAOYSA-N
-rxn:5:193972:229064:226412,Cc1cc(-c2ccnn2C2CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(N2CCCC2)c1,BMVLSOGPFMPBST-UHFFFAOYSA-N
-rxn:5:193972:229074:223007,CSc1ncccc1-c1cc(C)c(-c2cc(F)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCCCCC1,AJZRWTPNLRRBPY-UHFFFAOYSA-N
-rxn:5:193972:229107:225849,Cc1cc(-c2c(C)cncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,BDSFTLCOOPDZRK-UHFFFAOYSA-N
-rxn:5:194058:223054:222996,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)cc2C2CCCNC2)s1)N1CCC(O)C1,ILYPCECCSFPAKJ-UHFFFAOYSA-M
-rxn:5:194058:223054:225595,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(F)c(CN3CCCC3)c2)s1)N1CCC(O)C1,LKXPIALTNWUPIX-UHFFFAOYSA-M
-rxn:5:194058:223054:225654,CC1CCCN(c2ccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)cn2)C1,VMFJENPAWMMMNE-UHFFFAOYSA-M
-rxn:5:194058:225593:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(CN3CCCC3)c2)s1)N1CCC(O)C1,ZRSZFKZSGNPDSH-UHFFFAOYSA-M
-rxn:5:194058:225607:225592,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)ccc2CN2CCCC2)s1)N1CCCCC1,QVQLDXOXLQEXHD-UHFFFAOYSA-M
-rxn:5:194058:225607:225593,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(CN3CCCC3)c2)s1)N1CCCCC1,AUUIBDJGWYTFKH-UHFFFAOYSA-M
-rxn:5:194058:225607:225821,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CC3)c(C(F)(F)F)c2)s1)N1CCCCC1,XHMOIFIMFHCDHQ-UHFFFAOYSA-M
-rxn:5:194058:225607:225824,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CC3)cc(C(F)(F)F)c2)s1)N1CCCCC1,UUUWCPXLHBIWGY-UHFFFAOYSA-M
-rxn:5:194058:225607:225868,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCOCC3)c(F)c2)s1)N1CCCCC1,ZIRQZSSVQMDFOW-UHFFFAOYSA-M
-rxn:5:194058:225607:225870,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(N3CCOCC3)c2)s1)N1CCCCC1,MJYUNZLLAKENPX-UHFFFAOYSA-M
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-rxn:5:194058:225870:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(N3CCOCC3)c2)s1)N1CCC(O)C1,NPGZCQLSVNKCNJ-UHFFFAOYSA-M
-rxn:5:194058:226330:223054,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)s1)N1CCCC1,OQCBQOYRHZLHNJ-UHFFFAOYSA-M
-rxn:5:194058:226427:225607,CC1CCN(c2csc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)CC1,YCCJQVVOFBAPOE-UHFFFAOYSA-M
-rxn:5:194733:226041:227033,N#Cc1cc(-c2ccc(-c3c([N+](=O)[O-])cccc3C(F)(F)F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)ccc1C1CC1,MUFZQADNZXALRF-UHFFFAOYSA-N
-rxn:5:194767:226395:226644,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCCC5)c4)ccc3-c3cncc(N4CCOCC4)c3)C2)c2ccccc21,RZYSBCRXHGCLHV-UHFFFAOYSA-N
-rxn:5:194782:228142:226182,CCCc1cc(-c2ccc(-c3cccnc3C3CCCCC3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cc(F)n1,HSJILCKRVJIXCD-UHFFFAOYSA-N
-rxn:5:194782:228599:225805,COc1ccc(-c2ccc(-c3ccc(C(C)N4CCOCC4)s3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cc1C,ANNRTSAULPYQQS-UHFFFAOYSA-N
-rxn:5:196408:222986:225683,Cc1cc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2=NOCCO2)cc(C2CCCNC2)n1,JLGMMYVEKGZCAT-UHFFFAOYSA-N
-rxn:5:196408:226686:222996,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1C1=NOCCO1,IOPOXERMHJDASJ-UHFFFAOYSA-N
-rxn:5:196789:225834:225980,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(N2CCOCC2)ncc1F,GMYJQNGJQRHOPP-UHFFFAOYSA-N
-rxn:5:196791:225980:225982,O=C1COCCN1c1cccc(-c2cc(N3CCOCC3)ncc2F)c1-c1cnc(N2CCOCC2)cc1F,UNCSCHUGZBERAE-UHFFFAOYSA-N
-rxn:5:196917:225394:223173,CC1(C)COC(c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2cc(C3CCC3)cc(C3CC3)c2)=N1,XLUMGMLPUZUJCO-UHFFFAOYSA-N
-rxn:5:196917:225985:227279,CC(C)n1nc(C2CC2)cc1-c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(C2=NC(C)(C)CO2)c1,AEFRLTCVPGTGCV-UHFFFAOYSA-N
-rxn:5:196918:226679:222960,Cc1cc(-c2c(-c3cnc(N4CCCC4)cc3F)cccc2N2CCCCC2=O)cc(C2CCNCC2)c1,RYRXNGDDVSJRFY-UHFFFAOYSA-N
-rxn:5:196919:223010:226438,CC1(C)COC(c2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2-c2cnc(C3CCCC3)cc2F)=N1,OUIWFGNUKMRWIX-UHFFFAOYSA-N
-rxn:5:196969:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cnn(C2CCCCO2)c1,OPIFRIYGKXJSRZ-UHFFFAOYSA-N
-rxn:5:196969:226654:223064,CC1CCN(c2nc(-c3cnc(C4CCCCC4)cc3-c3ccc(C4CCNCC4)nc3F)cs2)CC1,XCECYSLISPUJKG-UHFFFAOYSA-N
-rxn:5:196970:223064:222960,Cc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,WGBDVTPPBXPLMB-UHFFFAOYSA-N
-rxn:5:196970:226652:225677,Cc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(C3CCCCC3)nc2F)n(C2CCCCO2)n1,OHCOWLHYBUGQCR-UHFFFAOYSA-N
-rxn:5:196978:225832:227103,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2sccc2C2CCCCC2)c1,FURHCWJEQHYDBL-UHFFFAOYSA-N
-rxn:5:196979:225832:226382,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCCC3)nc2)cc(N2CCCCC2)c1,LENNKLJXPWPMNZ-UHFFFAOYSA-N
-rxn:5:197169:225986:225641,CC1CCCN(c2cc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OCC(C#N)=C4)ccn2)C1,INMKFGWDVBSLNF-UHFFFAOYSA-N
-rxn:5:197876:225512:225621,Cc1cc(-c2cc3c(cc2-c2cccc4cc([Si](C)(C)C)sc24)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC1CCOC1,DFGMFAHOYZCGJV-UHFFFAOYSA-N
-rxn:5:197876:226060:226731,CN(C)S(=O)(=O)c1ccccc1-c1cc2c(cc1-c1cc(C3CC3)cc(C3CC3)c1)S(=O)(=O)N(C(C)(C)C)C2=O,YTHPANCPTIGDPB-UHFFFAOYSA-N
-rxn:5:222985:183189:225881,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccc(C3CCOCC3)nc2F)cc2c1OC(C)(C)OC2,KVBJIHIQKRHOCM-UHFFFAOYSA-N
-rxn:5:223010:196919:226437,CC1(C)COC(c2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2-c2cc(C3CCCC3)ncc2F)=N1,OLAKYBWPQYCWEP-UHFFFAOYSA-N
-rxn:5:225407:180022:223139,COc1c(-c2ccc(C3CCNCC3)nc2)ccc(-c2ccc(C3CCCCCC3)cc2)c1C1OCCO1,IBEGGKSEYKMNMV-UHFFFAOYSA-N
-rxn:5:225591:193462:227587,COc1cc(-c2ccc(-c3cc(CN4CCCC4)ccc3F)cc2CN2CCC(=O)CC2)cc(F)c1OC,SNFGHXHRXRKOHC-UHFFFAOYSA-N
-rxn:5:225638:193055:225986,CC1CCN(c2ccc(-c3ccc(C4(C#N)CCCC4)c(-c4ccccc4N4CCCS4(=O)=O)c3)cn2)CC1,OQPQUNYISLQXGS-UHFFFAOYSA-N
-rxn:5:225653:181906:226686,Cc1ccc(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,AVTITXFNLFSLFD-UHFFFAOYSA-N
-rxn:5:225666:193869:229057,Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(C2CC2)c1,CQHUBVDPFOCAAB-UHFFFAOYSA-N
-rxn:5:225832:181626:225639,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2cccnc2N2CCC(C)CC2)c1C1OCCO1,UQXJYSSDPIVNTN-UHFFFAOYSA-N
-rxn:5:225832:196670:226425,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2ccc(N3CCCCC3C)s2)c1C1CCCC1,LLJBBXLIDNSLCG-UHFFFAOYSA-N
-rxn:5:225868:190194:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(N3CCOCC3)c(F)c2)ccc1OC,AIVDIMHBBYGXDI-UHFFFAOYSA-N
-rxn:5:225881:196970:222988,Cc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCOCC3)nc2F)cc(C2CCNCC2)n1,CHBIDKQWYHGSNI-UHFFFAOYSA-N
-rxn:5:225985:193055:226177,N#CC1(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(C3CCCCC3)c2)CCCC1,RQHOXPRSYKFSGA-UHFFFAOYSA-N
-rxn:5:225985:193055:226382,N#CC1(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cnc(C3CCCCC3)nc2)CCCC1,CIRFKQVVFGCICU-UHFFFAOYSA-N
-rxn:5:225985:193464:226177,N#CC1(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(C3CCCCC3)c2)CCCCC1,GYRXVQDNKODPDY-UHFFFAOYSA-N
-rxn:5:225985:193464:227086,N#CC1(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccnc(C3CCCC3)c2)CCCCC1,JEVUYEXWSLQNEB-UHFFFAOYSA-N
-rxn:5:225985:193464:227381,N#CC1(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2cnc(C3CCCC3)nc2)CCCCC1,NKHXTQLGOCGOFM-UHFFFAOYSA-N
-rxn:5:226058:178295:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,IDDNHSPDCSWIGU-UHFFFAOYSA-N
-rxn:5:226062:178295:228933,COC(=O)C1(c2cc(-c3cnc(OC)cc3F)ccc2-c2cc(C(C)C)cc(C(C)C)c2)CCC(=O)CC1,YJRZKRAFJINEOP-UHFFFAOYSA-N
-rxn:5:226068:177730:223018,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C(=O)OC(C)(C)C)c1,AJEVMUKBRKBZSF-UHFFFAOYSA-N
-rxn:5:226079:178295:226322,COC(=O)C1(c2cc(-c3ccc(C(=O)N(C)C)cc3C)ccc2-c2cc3cc(C(C)C)ccc3s2)CCC(=O)CC1,MQWJDFFOTIUGHJ-UHFFFAOYSA-N
-rxn:5:226084:178295:228431,COC(=O)C1(c2cc(-c3cc(F)cc(F)c3SC)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,ITRYKHSKPQKYLE-UHFFFAOYSA-N
-rxn:5:226140:178295:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,CHLIRWRLQBJOQU-UHFFFAOYSA-N
-rxn:5:226158:193506:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCCC3)cc2-c2c(C3CC3)ccnc2F)CC1,QHWBKMLUJLVXON-UHFFFAOYSA-N
-rxn:5:226172:193869:227964,Cc1cc(-c2cc(N3CCCC3)ccc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cncc(C2(C)CC2)c1,JTQQITMYPGOZLM-UHFFFAOYSA-N
-rxn:5:226177:180022:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2ccnc(C3CCCCC3)c2)c1C1OCCO1,FLTDPAHLDQVIAB-UHFFFAOYSA-N
-rxn:5:226177:193055:225985,N#CC1(c2ccc(-c3ccnc(C4CCCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)CCCC1,UMBIWTYUUOTEIP-UHFFFAOYSA-N
-rxn:5:226181:193870:227830,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3(C)CC3)cc2)cc1-c1ccc(C2=CCCCC2)nc1,JCRYZBDHLSQIMN-UHFFFAOYSA-N
-rxn:5:226181:193870:227964,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(C3(C)CC3)c2)cc1-c1ccc(C2=CCCCC2)nc1,CNPNNVFAXVUSLU-UHFFFAOYSA-N
-rxn:5:226181:193972:228892,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)nc(C#N)c1,UARLKHZJTCLIKO-UHFFFAOYSA-N
-rxn:5:226366:188448:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)c([N+](=O)[O-])cc1-c1ccnc(N2CCCCC2)c1,FMXQWTSJDYECHU-UHFFFAOYSA-N
-rxn:5:226382:180022:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2cnc(C3CCCCC3)nc2)c1C1OCCO1,MNMIIZMSYFIASO-UHFFFAOYSA-N
-rxn:5:226412:193506:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2c(C3CC3)ccnc2F)CC1,PVEDMWLUFCSCHZ-UHFFFAOYSA-N
-rxn:5:226420:193506:228234,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2-c2c(C3CC3)ccnc2F)CC1,HUTKHULBPMHULM-UHFFFAOYSA-N
-rxn:5:226422:193972:229057,Cc1cc(-c2cc(F)ccc2N2CCCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn(C2CC2)c1,YQRPOXKBLASPTC-UHFFFAOYSA-N
-rxn:5:226438:196917:223010,CC1(C)COC(c2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2cnc(C3CCCC3)cc2F)=N1,CKSSAAIFSJWFRS-UHFFFAOYSA-N
-rxn:5:226582:178295:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,DIHSGYOSFYBMNI-UHFFFAOYSA-N
-rxn:5:226589:178295:228512,CC#Cc1cccc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RTGREHNABJHAIG-UHFFFAOYSA-N
-rxn:5:226645:193506:228018,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)c3)cc2-c2cc(F)cc(C3CC3)c2)CC1,OKUZPRNXZZUMKQ-UHFFFAOYSA-N
-rxn:5:226654:177190:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2csc(N3CCC(C)CC3)n2)c1,DZGDFBQLTUXVNX-UHFFFAOYSA-N
-rxn:5:226679:197526:223056,CC(=O)N1CC(=O)c2c1ccc(-c1cnc(N3CCCC3)cc1F)c2-c1ccc(N2CCC(O)CC2)nc1,SSVWRLQGQOZNPH-UHFFFAOYSA-N
-rxn:5:226686:182009:223002,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1C1CCOCC1,JNUPOMIHPHCEHG-UHFFFAOYSA-N
-rxn:5:226686:183189:225849,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(N3CCCCC3)cc2F)cc2c1OC(C)(C)OC2,SPNFAZKOYGHZQW-UHFFFAOYSA-N
-rxn:5:226686:193332:223136,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccncc2C2CCCNC2)ccc1CN1CCOCC1,STLMHXWAMIIORZ-UHFFFAOYSA-N
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-rxn:5:227932:178295:227535,CCOc1cc(F)c(F)cc1-c1ccc(-c2cc(COC)ccc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,CAKSXKZWRWSARB-UHFFFAOYSA-N
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-rxn:5:227935:190128:226059,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(C(C)C)cc2C(C)C)ccc1OC,SVRGSBZOMQTLEP-UHFFFAOYSA-N
-rxn:5:227939:190484:227409,COC(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,GXCOJWHWSPQHPN-UHFFFAOYSA-N
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-rxn:5:228639:193869:225636,Cc1cc(-c2ccc(C)c(F)c2C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,ODIIKMZBGWPLMM-UHFFFAOYSA-N
-rxn:5:228649:193972:226794,Cc1cc(C)c(-c2cc(C)c(-c3cnc(N4CCSCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,OAOSDHAOJLKPAN-UHFFFAOYSA-N
-rxn:5:228722:193869:225849,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,UYMUAZYPBAXORV-UHFFFAOYSA-N
-rxn:5:228722:193972:226658,Cc1cc(-c2cncc(C#N)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC2)nc1F,LAFLLAVRAXXRKX-UHFFFAOYSA-N
-rxn:5:228892:193869:225636,Cc1cc(-c2cc(F)nc(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,MJEADXLDEOACQR-UHFFFAOYSA-N
-rxn:5:228892:193972:226181,Cc1cc(-c2cc(F)nc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,GEGAWIQRIHDBQL-UHFFFAOYSA-N
-rxn:5:229064:193972:226412,Cc1cc(-c2ccnn2C2CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(N2CCCC2)c1,BMVLSOGPFMPBST-UHFFFAOYSA-N
-rxn:5:229203:178295:225499,CCc1ccsc1-c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,KVQGQMZLJFSKTL-UHFFFAOYSA-N
-rxn:4:173390:223885,COCCCOc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1C(C)=O,WFEMNWPXWJDMMG-UHFFFAOYSA-N
-rxn:4:173504:223589,CCCCCOc1ccc(-c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)cc2)cc1,FTFDXQNDUNEINA-UHFFFAOYSA-N
-rxn:4:173569:223776,Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2)c2ccco2)cc1,FMBMGBTZHIXAPD-UHFFFAOYSA-N
-rxn:4:173573:224782,CN1CCN(c2cc(-c3ccccc3C(=O)CCCCC3OCC(C)(C)CO3)cc(F)c2F)CC1,VEPTWCFASIZKKU-UHFFFAOYSA-N
-rxn:4:173580:222684,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)cc1,PGTGJPMIOLTJLO-UHFFFAOYSA-N
-rxn:4:173650:223866,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)c1)C2=O,KQZVVJMZLAULLY-UHFFFAOYSA-N
-rxn:4:173673:222488,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)ccc1OC)C2=O,RHSPUTQPVIETHQ-UHFFFAOYSA-N
-rxn:4:173703:223844,COc1cccc2cc(-c3cc(=O)oc4cc(OCC(=O)c5ccc(-c6ccc(S(=O)(=O)N7CCCC7)cc6C(F)(F)F)cc5)ccc34)c(=O)oc12,HYPWQNFTOPXCIW-UHFFFAOYSA-N
-rxn:4:173931:223539,CCCOc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(C(=O)C(F)F)c1F,FLOXMMIDSDBMHW-UHFFFAOYSA-N
-rxn:4:173998:223493,CCOC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc(OCC)c1F,BXHDSGKZQQHGEM-UHFFFAOYSA-N
-rxn:4:174139:223815,COc1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c(C(OC)OC)cc1OC,LELCFVCPBWSALX-UHFFFAOYSA-N
-rxn:4:174355:223525,COc1ccc(CCC(=O)c2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)cc1,RCSAPFBJWYXCQL-UHFFFAOYSA-N
-rxn:4:174375:224100,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1ccccc1OCCN1CCC(C)CC1,GSHMJMLLAJYPDK-UHFFFAOYSA-N
-rxn:4:174406:224087,COC(=O)C1(c2ccc(-c3cccc(OCCN4CCCCCC4)c3)cc2)CC(OC)(OC)C1,UOVUWUKMYNYGLR-UHFFFAOYSA-N
-rxn:4:174407:224853,COC(=O)C1(c2cccc(-c3ccc(C4CCC(C)(C)CC4)cc3)c2)CC(OC)(OC)C1,MDMWPTUVFNTENP-UHFFFAOYSA-N
-rxn:4:174429:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cccc(OC(C)(C)C(=O)OC(C)(C)C)c2)C1,HHRQUVONYNZQLT-UHFFFAOYSA-N
-rxn:4:174444:223660,COC(=O)c1cc(F)c(OCC2CCCCC2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,ABRCEJHRSDOARY-UHFFFAOYSA-N
-rxn:4:174514:222636,CC(C)[Si](Oc1cccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1)(C(C)C)C(C)C,AXROAIUSGNWNLI-JOCHJYFZSA-N
-rxn:4:174603:222837,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cccc(CC(=O)NC(C)(C)C)c3)cc1)C2=O,DVNLWSPQAXDHRQ-UHFFFAOYSA-N
-rxn:4:174663:223135,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccnc2C2CCCNC2)cc1,HMQNXFYNKZVABT-CHNVSCMISA-N
-rxn:4:174663:223918,CN(C(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1)C1CCCCC1,RPMMMNGZMRVONF-YMGHSGPTSA-N
-rxn:4:174781:223591,COCCOc1c(F)cccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,DAHANABWSJXZOZ-UHFFFAOYSA-N
-rxn:4:175415:223660,CCOC(=O)C1OC1(C)c1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,OUZAJNUWVRYDDZ-UHFFFAOYSA-N
-rxn:4:176103:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)CCC4CCCCC4)c3)cc2)CC1,DDCQJSAMEJYSOP-UHFFFAOYSA-N
-rxn:4:176117:223482,CC(=O)c1cccc(OS(=O)(=O)c2cc(C)c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2C)c1,DFPDXULKFJVFIS-UHFFFAOYSA-N
-rxn:4:176196:226021,CCOC(=O)C1=Cc2cc(-c3cc(Cl)ccc3OCC(F)(F)F)ccc2OC1C(F)(F)F,WYHKZOYAXRLFAT-UHFFFAOYSA-N
-rxn:4:176240:223502,CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c(C)oc2c1,OGWUDTRBBXARQR-UHFFFAOYSA-N
-rxn:4:176295:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccccc2C=C2Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1,LUQPWCXJCXKCGL-UHFFFAOYSA-N
-rxn:4:176322:223524,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)C(C)(C)CC1(CC)CC,PSERHSXIHHBZTL-UHFFFAOYSA-N
-rxn:4:177402:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)c(C4OCCO4)c3)c(F)c2)CC1,CXZTWRBOCPUWBB-WGSAOQKQSA-N
-rxn:4:177536:223593,CC(C)C(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1C(F)(F)F,MVDIFIYKTIPEPX-UHFFFAOYSA-N
-rxn:4:177829:223559,CCC(C)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1OC,DGSRMBFFOBFYGR-UHFFFAOYSA-N
-rxn:4:177909:223505,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(=O)c2ccc(F)cc2)c1,FJFCKTXDFWJTSD-UHFFFAOYSA-N
-rxn:4:177978:223929,COC(=O)C1(C)OC1(C)c1cccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1,BWLCXEPVLNDLLW-UHFFFAOYSA-N
-rxn:4:178295:224932,COC(=O)C1(c2cc(Cl)ccc2-c2cc(CN(C)C(C)C)ccc2OC)CCC(=O)CC1,GBQFYPVEUAZTFA-UHFFFAOYSA-N
-rxn:4:178379:222447,COc1ccc2c(c1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1)N=C(NC(=O)OC(C)(C)C)C2,BAFMAHBFQBLLHR-UHFFFAOYSA-N
-rxn:4:178381:222913,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c(C(C)(C)C)c1,DWOLFWCDANLVDT-UHFFFAOYSA-N
-rxn:4:178382:222837,CC(C)(C)NC(=O)Cc1cccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c1,CJTSDJRZFJDJFL-UHFFFAOYSA-N
-rxn:4:178384:224994,COc1ccc(-c2ccncc2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,QUYHYLWGSIDCBF-UHFFFAOYSA-N
-rxn:4:178384:225881,Fc1nc(C2CCOCC2)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VNPNBOYTJDWYAA-UHFFFAOYSA-N
-rxn:4:178384:226554,CCCOc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,WGBATNSFOVFHMW-UHFFFAOYSA-N
-rxn:4:178384:227076,CCC(C)c1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,BGLYPKFRGXMASE-UHFFFAOYSA-N
-rxn:4:178384:228416,COc1cc(F)cc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UFTIEJUDEUPFRT-UHFFFAOYSA-N
-rxn:4:178384:229162,COc1cnc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cn1,CICIHZGPZQNRNX-UHFFFAOYSA-N
-rxn:4:178496:223579,CCOC(=O)C1CCC(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)ccc21,WFJMKAHVFRYQMC-UHFFFAOYSA-N
-rxn:4:178597:222988,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCNCC2)n1,NLIWMJUHEGVHID-UHFFFAOYSA-N
-rxn:4:178597:227705,COc1cc(C(F)F)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,LJJPEIUDXJLPSD-UHFFFAOYSA-N
-rxn:4:178597:228235,CC(C)c1c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)ccnc1F,GNFNTRNXSPNKPS-UHFFFAOYSA-N
-rxn:4:178597:228769,CCc1ncc(Cl)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,SADKUGDZPAPAJY-UHFFFAOYSA-N
-rxn:4:179326:223602,CC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc(C(F)(F)F)c1F,WJHFVKRJLHEZEY-UHFFFAOYSA-N
-rxn:4:180021:222389,COc1c(Cl)cc(C2OCCO2)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,IYJDIVCISMXGGL-UHFFFAOYSA-N
-rxn:4:180024:222466,COc1c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)ccc(F)c1C1OCCO1,CYJYXAMDZMZECS-UHFFFAOYSA-N
-rxn:4:180035:223814,COc1c(F)cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C1OCCO1,NPXPFNRVWGVWSN-UHFFFAOYSA-N
-rxn:4:180391:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C4CC4)ccc3C3CCCO3)ccc2OC)CC1,VXAHWAKWFBHWMR-UHFFFAOYSA-N
-rxn:4:180439:223712,COc1ccc(-c2cc(C3CC3)cc(C3COCCO3)c2)cc1C12CC3CC(CC(C3)C1)C2,ONKKGEQNBDQNEJ-UHFFFAOYSA-N
-rxn:4:180486:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2cc(C3CC3)ccc2C2CCOCC2)c(C(F)(F)F)c1,SFFPVOOGIQYYMS-UHFFFAOYSA-N
-rxn:4:180721:222465,COC(=O)C1(C)CCc2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)ccc21,OPWXYJFPZQJGSR-UHFFFAOYSA-N
-rxn:4:180815:225050,COc1ccc(-c2cc(F)cc(N3CCC(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,RKACBEYBCCYNRJ-UHFFFAOYSA-N
-rxn:4:180815:225192,COc1ccc(-c2cc(OC3CCCCC3)ncc2F)cc1C12CC3CC(CC(C3)C1)C2,FZLVBIKEUAUQRM-UHFFFAOYSA-N
-rxn:4:181814:223536,Cc1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2COC2)c1,FKSARNWWAXRGJY-UHFFFAOYSA-N
-rxn:4:182104:222712,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C3=CCC4(CC3)OCCO4)cc2)c(F)c1F,NHVZOSIVXTXAHB-UHFFFAOYSA-N
-rxn:4:182359:223885,COC1CCC2(CC1)Oc1ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc1C2=O,SIZRRPSQKOBDAV-UHFFFAOYSA-N
-rxn:4:182372:222703,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)cc1C2=O,UXKWTXZXFYYHHN-WVPZODRTSA-N
-rxn:4:182372:224255,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)cc(C(=O)N4CCCC(C)C4)c3)cc1C2=O,IGTGSVUPGSJYTF-MSISRNIRSA-N
-rxn:4:182372:224781,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4CCCO4)c(C(F)(F)F)c3)cc1C2=O,FXQPDUTVLCBALL-BMNBOFGQSA-N
-rxn:4:182376:224976,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(N5CCCCC5)c4C#N)cc3C2=O)C[C@@H]1C,FJZKNOUMODMASN-BFVWLKTBSA-N
-rxn:4:182376:225438,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(C(C)N5CCCC5)cc4)cc3C2=O)C[C@@H]1C,GAGKAPRMGCFEDR-CTECAUNBSA-N
-rxn:4:182376:225462,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(N5CCC(C)CC5)c4)cc3C2=O)C[C@@H]1C,OONCWKYVKKOQCP-RSQCUOPESA-N
-rxn:4:183136:223542,CC1Oc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2C1C,VTVWVGHYJFEQQT-UHFFFAOYSA-N
-rxn:4:183268:223754,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc2Cl)CC1,OHWXZELLXHBTBZ-UHFFFAOYSA-N
-rxn:4:183272:225829,CC1CCN(c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cn2)CC1,GDLQFIZTDWBGQD-UHFFFAOYSA-N
-rxn:4:183273:222986,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCNC2)n1,CFELJSPRBDUOAN-UHFFFAOYSA-N
-rxn:4:183273:226845,COc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GWSDPAYEBAUTPF-UHFFFAOYSA-N
-rxn:4:183273:227668,COc1c(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)c1F,SRIBHPQPHZQNBC-UHFFFAOYSA-N
-rxn:4:183274:228973,Fc1ncc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,BSTVMBXHQKHRNJ-UHFFFAOYSA-N
-rxn:4:183440:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4c5c(ccc6c5c3CCC6)CCC4)cc2F)CC1,YSLWFUOJGMHYEQ-UHFFFAOYSA-N
-rxn:4:183588:223813,CCCCOc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c(C#N)cc1OC,GRAOGUULWJCATF-UHFFFAOYSA-N
-rxn:4:183693:225001,COC(=O)C1CN(Cc2cc(-c3ccc(CN4CCCC(F)C4)cc3)ccc2OC(F)(F)F)C1,VULDQJLRHSRREX-UHFFFAOYSA-N
-rxn:4:183730:226844,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCOCC1,VIXNBMXFJUQABX-UHFFFAOYSA-N
-rxn:4:183741:224796,CCOc1cc(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)ccc1S(=O)(=O)N(CC)CC,HIORYXHTDFVJTL-UHFFFAOYSA-N
-rxn:4:183772:224865,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccc(CCN2CCCCC2)cc1)N1CCCC(F)(F)C1,IRAWISGMYOMLGL-UHFFFAOYSA-N
-rxn:4:183788:225003,CCN(Cc1cccc(Cl)c1-c1ccc(N2CCCCC2)cc1OC)C(=O)OC(C)(C)C,BJWDXXBEZZLGCO-UHFFFAOYSA-N
-rxn:4:183820:223578,CC(C)(C)OC(=O)C(C)(C)COc1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cn1,WJXSQPAMFYRYOQ-UHFFFAOYSA-N
-rxn:4:183826:225088,COc1cc(-c2cccc(CN(C(=O)OC(C)(C)C)C3CC3)c2Cl)ccc1OCCN(C)C,NBFXHIYYYVYLBZ-UHFFFAOYSA-N
-rxn:4:183866:224721,CCOC(=O)c1c(C)c(-c2c(C)nn(CC(=O)OC(C)(C)C)c2C)c(C)n1C(=O)OC(C)(C)C,PHNNCKRKIWSYJD-UHFFFAOYSA-N
-rxn:4:183886:226844,O=C(c1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)ccn1)C(F)(F)F,YHNIMENHYQSSCR-UHFFFAOYSA-N
-rxn:4:183913:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(OC(F)(F)F)ccc1OCCN1CCCCC1C,JIQVASYKKXJETM-UHFFFAOYSA-N
-rxn:4:183937:226122,COCc1ccc(C2CC2)c(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)c1,PDJRCCCKXWJVQH-UHFFFAOYSA-N
-rxn:4:183998:224378,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc1F)C1CCCC1,LDNWRHNPKWVVPY-UHFFFAOYSA-N
-rxn:4:184017:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1,PWZUYWYSYBYXFC-UHFFFAOYSA-N
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-rxn:4:184914:224458,COC(=O)C1CN(Cc2cc(-c3ccc(C(C)N4CCC(C)CC4)cc3)ccc2OC)C1,TWVMUGSVGONIHQ-UHFFFAOYSA-N
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-rxn:4:187116:224830,Cc1cc(-c2cc(C(F)(F)F)nn2C2CCCCO2)c(OCC2CCOCC2)c([N+](=O)[O-])c1,LICNYOKTJDKQSW-UHFFFAOYSA-N
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-rxn:4:187243:225554,CC(C)(C)Oc1ccc(-c2ccc(F)cc2CCN2CCC(C(F)(F)F)CC2)cc1C#N,XWUMUBPCCMPZNB-UHFFFAOYSA-N
-rxn:4:187280:224176,CN(Cc1cccc(-c2ccc(OCCSC3CCOCC3)cc2)c1)CC1CCOCC1,YOSDMRBXMSPLEX-UHFFFAOYSA-N
-rxn:4:187303:224589,COC1CCN(CCc2cc(F)ccc2-c2ccc(F)cc2CN2CCC(C)CC2)CC1,YCIUBJRWDPNPOY-UHFFFAOYSA-N
-rxn:4:187305:224634,COc1ccc(-c2cc(CCN3CCC(OC)CC3)ccc2F)cc1CN1CCOCC1,QRQQNWRUONRWGV-UHFFFAOYSA-N
-rxn:4:187312:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cc(Cl)cc(F)c1OCCN1CCC(C)CC1,CNMWHTHFTAPJGJ-UHFFFAOYSA-N
-rxn:4:187312:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cc(Cl)cc(F)c1OCCN1CCC(C)CC1,KXIJFRKBZMQSGX-UHFFFAOYSA-N
-rxn:4:187327:223168,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3cccnc3N3CCNCC3)c2)COS1(=O)=O,PFVSYNXCUGTRNE-LJQANCHMSA-N
-rxn:4:187353:223884,CC(C)[Si](c1nc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)co1)(C(C)C)C(C)C,XURGLNVYSPROLJ-UHFFFAOYSA-N
-rxn:4:187386:222899,CCCCNS(=O)(=O)c1ccc(-c2cc(C3=NOC(C(=O)OCC)C3(C)C)ccc2C)cc1,XWALSSDUAOKKTK-UHFFFAOYSA-N
-rxn:4:187427:224420,COC(=O)c1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)ccc1CN1CCCC(C)C1,OLXZCPKHXBYHPK-UHFFFAOYSA-N
-rxn:4:187438:222904,Cc1cc(-c2ccc(NC(=O)OC(C)(C)C)nc2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,OKAUPBYIQHLLGE-UHFFFAOYSA-N
-rxn:4:187442:222933,Cc1ccc(-c2cnc(NC(=O)OC(C)(C)C)nc2)cc1C1CN(C(=O)OC(C)(C)C)C1,AQIIDZPFEDYFGU-UHFFFAOYSA-N
-rxn:4:187474:224835,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c1,HQJNSNDETKAXSL-UHFFFAOYSA-N
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-rxn:4:187531:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc(C(=O)c3ccccc3CN3CCSCC3)cc2F)c1,PZWSMWOFLLZCJZ-UHFFFAOYSA-N
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-rxn:4:187556:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(OCc4ccccc4)cc(N4CCCCC4)c3)c2)CC1,XZDITRLHSJMGHH-UHFFFAOYSA-N
-rxn:4:187598:223658,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12)N1CC(S(=O)(=O)C2CCCCC2)C1,QFHTZFNVTWDGBE-UHFFFAOYSA-N
-rxn:4:187634:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)cc1,LLXWMWVBTBETLT-UHFFFAOYSA-N
-rxn:4:187634:223148,O=C(C1CCCCC1)N(c1ccc(-c2ccccc2C2CNCCO2)cc1)C1C=CS(=O)(=O)C1,WCQFOUWGZQYPJL-UHFFFAOYSA-N
-rxn:4:187659:226428,CC1CCCCN1c1csc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,WJEDVWXCYCHWAS-UHFFFAOYSA-N
-rxn:4:187669:226058,CC(C)c1cccc(C(C)C)c1-c1ccc(C2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1,IJWHTGQKWFFLOW-UHFFFAOYSA-N
-rxn:4:187677:227071,COCc1cc(C)c(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)c(C)c1,FWNVSKAKWOKSDL-UHFFFAOYSA-N
-rxn:4:187693:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,IOTXHCLRSMIMQC-UHFFFAOYSA-N
-rxn:4:187697:222426,COC(=O)c1cc(OC(F)F)c2nc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)sc2c1,LDHGMZLKBOXCOQ-UHFFFAOYSA-N
-rxn:4:187803:223670,CCN(CC)Cc1cc2c(c(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c1)OCC2,BTRVGXGLXJOFSA-UHFFFAOYSA-N
-rxn:4:187896:222677,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1ccc(F)cc1CNC(=O)OC(C)(C)C,PXTANNDUOPCAAY-UHFFFAOYSA-N
-rxn:4:187916:222538,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,VBBBFJZHKSCZCA-UHFFFAOYSA-N
-rxn:4:187916:224063,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C2CC2)cc(N2CCCC(C)C2)c1,UNPVGEWYYSCNAO-UHFFFAOYSA-N
-rxn:4:187916:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1c(OC)cc(OC)c(C23CCN(C)CC2O3)c1OC,OAQGGFQWTQTXKT-UHFFFAOYSA-N
-rxn:4:187942:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1cccc2c1cc([Si](C)(C)C)n2C(=O)OC(C)(C)C,BGMJUICZPZHTGC-UHFFFAOYSA-N
-rxn:4:187944:222682,COc1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1NC(=O)OC(C)(C)C,LVHHNQZOQUDXRY-UHFFFAOYSA-N
-rxn:4:187961:225122,COC(=O)Cc1cc2c(n1-c1ccc(-c3cncc(O[Si](C)(C)C(C)(C)C)c3)cc1)CC(C)(C)CC2=O,FUYIGSLXDOVYRC-UHFFFAOYSA-N
-rxn:4:187969:223687,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cccc21,BNBCDPUCQXJJRZ-UHFFFAOYSA-N
-rxn:4:187970:222636,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c2ccccc21,VXUHUUQIIRVGIJ-HSZRJFAPSA-N
-rxn:4:187995:223719,CCc1cc(-c2ccc(OCc3ccccc3)c3ccccc23)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,ZYTCZUQLLPMSTE-UHFFFAOYSA-N
-rxn:4:188006:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C#N)ccc3OCC34CC5CC(CC(C5)C3)C4)cc2)CC1,JRNLAKZOACDWMA-UHFFFAOYSA-N
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-rxn:4:190140:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(N4CCCCC4)c(F)cc3C(=O)OC)c(F)c2)CC1,TZFLZFKLMHWUIQ-MXVIHJGJSA-N
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-rxn:4:190375:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,RHLHYNBTLNYFRP-UHFFFAOYSA-N
-rxn:4:190381:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCC(OC)C2)c1,GZPRQYVRZOFPRP-UHFFFAOYSA-N
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-rxn:4:190388:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C2CCN(S(=O)(=O)C3CC3)CC2)cc1,CCSHPKBHKQBFAI-UHFFFAOYSA-N
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-rxn:4:190448:224078,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1cccc2c1ccn2[Si](C)(C)C(C)(C)C,BABXXIBAMHCQEJ-UHFFFAOYSA-N
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-rxn:4:190989:224351,COC(=O)c1cc2c(c(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c1)N(C(C)C)CCCO2,PJNICWIXZAIFGC-UHFFFAOYSA-N
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-rxn:4:191088:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C,OQKAXICLZKUUMY-UHFFFAOYSA-N
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-rxn:4:191171:223168,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cccnc4N4CCNCC4)cc1c32,PGRZTFOQCNZUGC-UHFFFAOYSA-N
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-rxn:4:191195:226206,COc1cc2c(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)cccc2cn1,YZYFPMAPZGEHQU-UHFFFAOYSA-N
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-rxn:4:192637:223844,O=C(c1c(F)cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc1F)N1CCC1,VNYJLTWXAIJWFG-UHFFFAOYSA-N
-rxn:4:193270:222696,O=C(c1cc(-c2cc(F)c(S(=O)(=O)N3CCCC3)cc2F)ccc1F)N1CCC(O)CC1,GOPVVZPCPNMOAO-UHFFFAOYSA-N
-rxn:4:193500:224378,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,XPIGAXGTGRMDPY-UHFFFAOYSA-N
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-rxn:4:193506:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(Cl)c1,PHUWUQPWKLIXGV-UHFFFAOYSA-N
-rxn:4:193506:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(Cl)c1,OUEHIFVFBYOWQN-UHFFFAOYSA-N
-rxn:4:193507:223482,O=C(c1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1Cl)N1CCC(F)(F)CC1,HCKNHOHLXCOWQK-UHFFFAOYSA-N
-rxn:4:193510:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(F)c1,AFKUBBUNXBUMIC-UHFFFAOYSA-N
-rxn:4:193689:222724,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1,MPBJHRYIPKEKPZ-UHFFFAOYSA-N
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-rxn:4:193781:224318,Cc1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)ccc1C(=O)N1CCC(F)(F)CC1,NYTYHCQBBAQZKO-UHFFFAOYSA-N
-rxn:4:193838:222724,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1,URAJDZJSVACFIV-UHFFFAOYSA-N
-rxn:4:193844:222720,Cc1cc(-c2ccc(N3CCNCC3)cc2C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,FXANFCYDVCKCBL-UHFFFAOYSA-N
-rxn:4:193869:224810,Cc1cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c(S(=O)(=O)N2CCCCC2)cc1Cl,CVFNOHNGHZCSQN-UHFFFAOYSA-N
-rxn:4:193874:224685,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCC(=O)CC4)c3)cc2F)CC1,PZYNYTDVUBBUBY-UHFFFAOYSA-N
-rxn:4:193957:224810,Cc1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCC(C)CC1,BGEQKHJMQCOOSR-UHFFFAOYSA-N
-rxn:4:193962:222724,Cc1cc(S(=O)(=O)N2CCCCC2)c(C)cc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1,HLGJZMNHNYZKIL-UHFFFAOYSA-N
-rxn:4:194001:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1c(C)cc(C)c(S(=O)(=O)N2CCCCC2)c1C,LEMFPNBBTVVJBG-UHFFFAOYSA-N
-rxn:4:194572:224867,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(OCC2CCCCC2)cc1,AAJWKKDGTHYJTG-UHFFFAOYSA-N
-rxn:4:194638:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc4c(c3)CN(CC3CCCC3)C4)cc2C1,VIGPTKWXUQAUFV-UHFFFAOYSA-N
-rxn:4:194641:224656,COc1ccc(-c2ccc3c(c2)CN(C(=O)C2CCCO2)CC3)c(F)c1OC1CCCC1,VPIUTWHQVUGXMR-UHFFFAOYSA-N
-rxn:4:194730:224591,COC1CCN(C2CCc3cc(-c4ccc(Cl)c(CN5CCC(C)CC5)c4)ccc32)CC1,BXHKCOGSEKICQX-UHFFFAOYSA-N
-rxn:4:194747:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1cccc2c1CCN(C(=O)C1CCCCC1)C2,RKPHUUNEUINZPY-UHFFFAOYSA-N
-rxn:4:194750:222598,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C)c1S(=O)(=O)NC1CCCC1,HEWBNFMFYCHAQU-UHFFFAOYSA-N
-rxn:4:194750:225640,CC1CCCCN1c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)ccn1,ZDFROALKYODFMY-UHFFFAOYSA-N
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-rxn:4:194772:225156,O=C1CC2(CCN(S(=O)(=O)c3ccccc3-c3cc(C(=O)N4CCCC4)ccc3F)C2)Oc2ccccc21,NGLXMROIUYUDCD-UHFFFAOYSA-N
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-rxn:4:196631:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc(F)c(N4CCCC4=O)cc3F)ccc2C)CC1,OTFSJNVCLKKRCE-UHFFFAOYSA-N
-rxn:4:197002:223699,Cc1ccc(N2CCCS2(=O)=O)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,HCXZNYWXXFMJJP-UHFFFAOYSA-N
-rxn:4:197814:224405,O=C1C2=C(CCC2)C(=O)N1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1,OCHZODSPDXMNAY-UHFFFAOYSA-N
-rxn:4:197961:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(OCCCO2)C(=O)N3C(C)C)cc1,ZIBBHTYNTZYKIH-UHFFFAOYSA-N
-rxn:4:197988:224570,CC1CCN(C2CCCc3c(-c4ccc(C(C)N5CCN(C)CC5)cc4)cccc32)CC1,IVAMPKWJRFMIMK-UHFFFAOYSA-N
-rxn:4:198013:224426,CC(=O)C1=C2CCCN2c2cc(-c3cc(C4CCCCC4)cc(C4CC4)c3)ccc2S1(=O)=O,ZQPUPPBZCIHHFX-UHFFFAOYSA-N
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-rxn:4:202310:229081,CN(C)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)s1,RHWNIZSSYRMBDP-UHFFFAOYSA-N
-rxn:4:202311:227955,Cc1cnc(C(C)C)c(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)c1,XKLCRMHWCGWQQW-UHFFFAOYSA-N
-rxn:4:202337:223279,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cnc(C5CCCN5)nc4)o2)CC3)cc1,BNCKZKFFIRPWQB-UHFFFAOYSA-N
-rxn:4:202347:223960,CCN1CCN(C(=O)c2cc(-c3cccc(C(=O)N4CCC5(CC4)OCCN5S(=O)(=O)c4ccc(C)cc4)c3)ccc2F)CC1,HEZGDBHNVWMLGR-UHFFFAOYSA-N
-rxn:4:202441:222520,CC(C)(C)OC(=O)Nc1cc(-c2cn(C(=O)OC(C)(C)C)c3c(C#N)cccc23)ccc1C(F)(F)F,OOEZJWVALIGSEM-UHFFFAOYSA-N
-rxn:4:202527:222931,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cnc(Cl)c(N3CCCCC3O)c2)c1,ATEYHHYJKGONAZ-UHFFFAOYSA-N
-rxn:4:202534:225776,CCCc1cc(-c2ccc(N3C(=NC(=O)COC)SC4CS(=O)(=O)CC43)c(F)c2)cc(C(F)(F)F)c1,IBSDWFWXHGETDZ-UHFFFAOYSA-N
-rxn:4:202592:222912,CC(C)CNS(=O)(=O)c1ccc(-c2c(CO[Si](C)(C)C(C)(C)C)nn3c2CCC3)cc1,KQPDRYDIRHOZQT-UHFFFAOYSA-N
-rxn:4:202607:226425,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCC4C)s3)cccc2c1N1CCC(F)(F)CC1,IZDQSTQZYSEXSK-UHFFFAOYSA-N
-rxn:4:202653:224649,CC(C)(C)OC(=O)N1CCOC(c2cc3cccc(-c4cc(F)ccc4OCC4CCCCO4)n3c2)C1,UYNMAQJMDITOGY-UHFFFAOYSA-N
-rxn:4:202655:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,RITGJOQHLXXBLP-UHFFFAOYSA-N
-rxn:4:202675:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)cc1,INLSEUJYVKWCTR-UHFFFAOYSA-N
-rxn:4:202679:222811,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cc(Cl)nc(NC(=O)OC(C)(C)C)c3)nc(Cl)c21,QLLYVZKNSKCIEK-UHFFFAOYSA-N
-rxn:4:202690:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)CN(CCc1ccc(S(N)(=O)=O)cc1)C(=O)C(C)O2,GZOYKDGGLAYSGH-UHFFFAOYSA-N
-rxn:4:202707:222388,CSc1cccc(N2C(=O)N(Cc3ccc(-c4cccc(NC(=O)Nc5ccc([N+](=O)[O-])cc5)c4)cc3F)C3CS(=O)(=O)CC32)c1,OYCVXLRYKAXMJA-UHFFFAOYSA-N
-rxn:4:202713:222475,Cc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)CN(C3CCN(C(=O)OC(C)(C)C)CC3)C4=O)ccc2F)cc1,PRTDNGFHMWRDSM-UHFFFAOYSA-N
-rxn:4:202720:223753,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)c2c1,JQOBCWDOXBYKDH-UHFFFAOYSA-N
-rxn:4:202797:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)N4C(=S)N(c5ccc(F)cc5)C5(C)CC4c4cccc(OC)c4O5)o3)c2)C1,LGZKGRYVKAUIAS-UHFFFAOYSA-N
-rxn:4:202807:223152,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(NC(=O)N(C)C)cc2)cc1,KTGDUYOQKZHYFI-UHFFFAOYSA-N
-rxn:4:202807:224178,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCCN3CCN(C)CC3)c2)cc1,IOEGSDOORGZGLH-UHFFFAOYSA-N
-rxn:4:202818:222933,Cc1ccc(C2Oc3ccc(-c4cnc(NC(=O)OC(C)(C)C)nc4)cc3C3CC(c4ccc(OC(C)C)cc4)=NN32)cc1,IUHFGYHEJXVCRT-UHFFFAOYSA-N
-rxn:4:203531:224155,CSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1,AWPHYHBLACTUSM-UHFFFAOYSA-N
-rxn:4:203545:225890,C[Si](C)(C)CCOCn1cc(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)cn1,PJNOGIJXAIVMQA-UHFFFAOYSA-N
-rxn:4:203564:222538,COC(=O)c1cnn(C2CCCCO2)c1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,RYHKXINJAVGCSV-UHFFFAOYSA-N
-rxn:4:203644:222432,CS(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)C1,AGKFJUCZEJYKGZ-UHFFFAOYSA-N
-rxn:4:203651:225310,O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C(F)(F)F)c(Cl)cc1C1CC1,TVWGCASBRIVQQY-UHFFFAOYSA-N
-rxn:4:203689:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(C#N)c(C(F)(F)F)cc3N3CCCCC3)cn2)CC1,CTDBSMQGQKEFDP-UHFFFAOYSA-N
-rxn:4:203696:225294,CCN1CCN(c2ncc(-c3ccccc3C(=O)N3CC(N4C(=O)CSC4=O)C3)cn2)CC1,MRMTVDROJUAQIH-UHFFFAOYSA-N
-rxn:4:203702:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnc(C(=O)N4CCCC(C(F)(F)F)C4)c(Cl)c3)cnc21,NDTHYPLPRVNIIW-UHFFFAOYSA-N
-rxn:4:203712:225829,CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)cn2)CC1,RSKBXONQAORHPL-UHFFFAOYSA-N
-rxn:4:203712:226619,Cc1nc(N2CCCC2)ncc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,ICIHINBPJZICBG-UHFFFAOYSA-N
-rxn:4:203741:222716,O=[N+]([O-])c1cc(CN2CCC(F)(F)CC2)cc(-c2ccc(S(=O)(=O)NC3CCCC3)c(F)c2)c1,WWLHSAQGRWSEJC-UHFFFAOYSA-N
-rxn:4:203757:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,OHWSRXWHZPQVAD-UHFFFAOYSA-N
-rxn:4:203825:225215,CC1CCN(c2nccc(-c3ccc(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3)c2Cl)CC1,VCPPAUDSVGHJBG-UHFFFAOYSA-N
-rxn:4:203825:225227,CC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3)cc2Cl)CC1,JOWATUVAQZUTNH-UHFFFAOYSA-N
-rxn:4:203827:225213,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C)CC4)cc3Cl)cc2)CC1,IHCUGQKTJPPJIR-UHFFFAOYSA-N
-rxn:4:203827:225228,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C)CC4)cc3F)cc2)CC1,MLMJMCWEUTWDDE-UHFFFAOYSA-N
-rxn:4:203827:225313,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C)CC4)nc3F)cc2)CC1,UCGIAWDIBHZUBF-UHFFFAOYSA-N
-rxn:4:203881:224498,CCN1CCN(Cc2ccccc2-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)CC1,MXEGFDADVYAWBD-UHFFFAOYSA-N
-rxn:4:203893:223896,COc1cccc(-c2cncc(CC3CCCN(S(C)(=O)=O)C3)c2)c1C(=O)N(C(C)C)C(C)C,KMVVHNIBVGDOTJ-UHFFFAOYSA-N
-rxn:4:203894:222724,CN1CCN(S(=O)(=O)Cc2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,NPMNKRIJZABSPK-UHFFFAOYSA-N
-rxn:4:203897:222723,CCS(=O)(=O)N1CCN(c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)CC1,QUHCVXQWHKRUEE-UHFFFAOYSA-N
-rxn:4:203935:225212,COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(F)cc(N2CCN(C)CC2)c1,GERDWUDIKCPXDW-UHFFFAOYSA-N
-rxn:4:203935:225227,COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,UYHAOGYQHHUDTR-UHFFFAOYSA-N
-rxn:4:203976:226364,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2Cl)CC1,SXKOMCUGFYOGDJ-UHFFFAOYSA-N
-rxn:4:204010:222607,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)n2)CC1,NADBJTKJKXPWGB-UHFFFAOYSA-N
-rxn:4:204014:224826,CCOC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2C)cnc1C(F)(F)F,RADAHJRJOHZSJE-UHFFFAOYSA-N
-rxn:4:204026:222514,COc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCN(C)CC2)cc1S(=O)(=O)NC1CCCCC1,MVJAUIKGOAKGKP-UHFFFAOYSA-N
-rxn:4:204046:228444,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)c(C(F)F)c2)CC1,LAJBSHAFPQXXSL-UHFFFAOYSA-N
-rxn:4:204080:222396,Cc1cc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C,OWDYAAFWWYDSJW-UHFFFAOYSA-N
-rxn:4:204114:225089,CCCCCOc1ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c(F)c1F,WBBVDCCZWHHRNH-UHFFFAOYSA-N
-rxn:4:204169:227390,CC1CN(Cc2ccc(-c3ccnn3C3CCCCC3)cc2N2CCCCC2)CCO1,IKXWLWZOQVOMTJ-UHFFFAOYSA-N
-rxn:4:204180:223845,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)CC2)c(C)c1,XKSXYQDKOZNUSL-UHFFFAOYSA-N
-rxn:4:204182:225307,Cc1cc(-c2ccc(C3COC3)c(C(F)(F)F)c2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,AEFJDJUCIAFVSU-UHFFFAOYSA-N
-rxn:4:204601:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1,DDLGNXAUOCVCAK-KRWDZBQOSA-N
-rxn:4:204659:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cnc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)c1,NRJVDJZXFLTJMO-UHFFFAOYSA-N
-rxn:4:204764:222537,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)C1,ZNZLKZXYLWQMHM-UHFFFAOYSA-N
-rxn:4:204764:228806,CSc1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)c1,GMIVBPHYESCZPA-UHFFFAOYSA-N
-rxn:4:204775:222415,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccc(F)c(S(N)(=O)=O)c3)ccc21,FUXRVGZSVKIYGA-UHFFFAOYSA-N
-rxn:4:204780:223182,CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc1,NCBRQVCDGBPFDQ-UHFFFAOYSA-N
-rxn:4:205641:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(OC4CCOC4)n3)cc2)CC1,NHCDFPTYSHICOD-UHFFFAOYSA-N
-rxn:4:205702:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(C(=O)N4CCC4)c(F)c3)cn2)CC1,DYOVVVQHPXMZGL-UHFFFAOYSA-N
-rxn:4:206167:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nc(C(=O)N4CCCCC4)cs3)cc2)CC1,AOXREPIBIFFLCD-UHFFFAOYSA-N
-rxn:4:206252:223533,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cnc1C(=O)N1CC(F)(F)C1,WLQOGQXNFMXNHS-UHFFFAOYSA-N
-rxn:4:206488:223815,COc1nc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cn1C1CCOCC1,DJDCMRDJIUOZLL-UHFFFAOYSA-N
-rxn:4:206489:223811,COc1nc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cn1C1CCCCO1,XWTSASJMYRJSEY-UHFFFAOYSA-N
-rxn:4:206491:223507,COc1ncc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1C1CCOCC1,ONIWIPOOKMNKQP-UHFFFAOYSA-N
-rxn:4:206524:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(S(=O)(=O)N3CCOCC3)c2)CC1,WQAOYJZJUOUMDX-UHFFFAOYSA-N
-rxn:4:206647:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCC(F)(F)C4)c(C#N)c3)c2)CC1,HAMJBQPYFXOCAQ-UHFFFAOYSA-N
-rxn:4:206647:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC(F)(F)C4)c(C#N)c3)cc2)CC1,QLANWTJUGOJGME-UHFFFAOYSA-N
-rxn:4:206664:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3nc(C4CC4)cc(C(C)(C)C)n3)c(F)c2)CC1,JOPNABOSFQHXTC-UHFFFAOYSA-N
-rxn:4:206759:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,MQGWLVYVWWAPTO-UHFFFAOYSA-N
-rxn:4:206759:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(Cl)c3)cc2)CC1,GUWGGTMCNPPVGZ-UHFFFAOYSA-N
-rxn:4:206759:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,NSAAKQHIQBIHCP-UHFFFAOYSA-N
-rxn:4:206797:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CN(S(C)(=O)=O)CCO4)nc3)ccn2)CC1,HHCBISWBGZHLRG-UHFFFAOYSA-N
-rxn:4:206901:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CN2CCCN(C)CC2)o1,QEYZCSQYLLCZGV-UHFFFAOYSA-N
-rxn:4:206944:224155,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)nc2)CC1,KFJPQGZVUCVHHB-UHFFFAOYSA-N
-rxn:4:206955:222724,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2)CC1,GUHUJCMEKCBMEX-UHFFFAOYSA-N
-rxn:4:206956:222724,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)CC1,FUKXIHSMEZGIOU-UHFFFAOYSA-N
-rxn:4:206957:224318,CC1CCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)c2)CC1,NWJILVARYNBIRJ-UHFFFAOYSA-N
-rxn:4:206960:224378,CS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2)CC1,SNAPUJIKSFTTCO-UHFFFAOYSA-N
-rxn:4:206976:224672,CCN1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3F)c(Cl)c2)CC1,WESDIWAOJKRPHB-UHFFFAOYSA-N
-rxn:4:206978:224758,CC1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)CC1,YHXKRNWUFCLFNI-UHFFFAOYSA-N
-rxn:4:206981:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C)c3)cc2)CC1,OSEUQMWYCMTRBM-UHFFFAOYSA-N
-rxn:4:206981:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C)c1,NAPIDDJVAKYHKZ-UHFFFAOYSA-N
-rxn:4:206981:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C)c1,PFTLPKIIUKRMLB-UHFFFAOYSA-N
-rxn:4:206981:224760,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc1N1CCC(C(F)(F)F)CC1,LSJZPPASUUHHNV-UHFFFAOYSA-N
-rxn:4:206981:224761,Cc1cc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cnc1N1CCC(C(F)(F)F)CC1,MGVTZWDWUPBQJA-UHFFFAOYSA-N
-rxn:4:207053:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCCN(C)CC4)c(F)c3)cc2)CC1,BHBFIJDQVCCEEA-UHFFFAOYSA-N
-rxn:4:207057:224782,Cc1ccc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PSOZAMZQHKFOSY-UHFFFAOYSA-N
-rxn:4:207058:224782,Cc1cc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,MBIBQEIDGHTSLG-UHFFFAOYSA-N
-rxn:4:207064:224975,CCN1CCN(c2ccc(-c3cc(C)c(Cl)cc3S(=O)(=O)N3CCN(C)CC3)cc2)CC1,JQJIWNURJBHONA-UHFFFAOYSA-N
-rxn:4:207085:225312,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCCN(C)CC2)nc1,JELXVXAYTHQBJR-UHFFFAOYSA-N
-rxn:4:207085:225367,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(F)(F)CC2)nc1,KYRYBJDLRJYTSP-UHFFFAOYSA-N
-rxn:4:207086:225313,Cc1cc(-c2ccc(N3CCN(C)CC3)nc2F)cc(C)c1S(=O)(=O)N1CCN(C)CC1,VAHYMTHPZWXHNI-UHFFFAOYSA-N
-rxn:4:207401:223813,COC(=O)c1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)nc2n1CCCC2,WOJLHXIOLVLJOT-UHFFFAOYSA-N
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-rxn:4:207461:223683,CCn1ncc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c1C12COCCC1O2,PEBKKHQEMVKZKY-UHFFFAOYSA-N
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-rxn:4:207736:222694,CN1C2CCC1CC(Oc1ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn1)C2,ODODOVRNIZTPJH-UHFFFAOYSA-N
-rxn:4:207779:225363,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cn1)N1CC(F)(F)C1,LFZXSADSKAPFNM-UHFFFAOYSA-N
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-rxn:4:207846:222415,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(F)c(S(N)(=O)=O)c3)ccc21,NVEBKYZEJLOQDE-UHFFFAOYSA-N
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-rxn:4:211089:222440,N#CC1=C2CCCCCN2c2cc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3C(F)(F)F)ccc2S1(=O)=O,QKWOUZPKCVZWME-UHFFFAOYSA-N
-rxn:4:211101:226612,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,UGKODTQTEPBWMN-UHFFFAOYSA-N
-rxn:4:212529:225724,CN(C)CCOc1ccc(-c2cnc(OC3CCN(C(=O)CCC(F)(F)F)CC3)nc2)cc1F,HBYMRUVXOYKNSW-UHFFFAOYSA-N
-rxn:4:212544:223973,CC1CCCN(c2ccc(-c3ccccc3CCC(=O)N3CCC(Oc4cnsn4)C3)c(C(F)(F)F)c2)C1,CRSNOESGDFKSPX-UHFFFAOYSA-N
-rxn:4:212557:224482,O=C(c1ccccc1[N+](=O)[O-])N1CCN=C1SCc1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1,KXQOGZGOCUHTCL-UHFFFAOYSA-N
-rxn:4:212614:223606,COC(=O)c1cn(Cc2cccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2)nc1S(=O)(=O)N1CCCC1,UOVWUEXDTZEYSY-UHFFFAOYSA-N
-rxn:4:212619:225186,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccc(F)c(CN4CCSCC4)c3)cn2)C1,SZTVVTBFGPXAMA-UHFFFAOYSA-N
-rxn:4:212634:226128,Cn1cc(-c2ccc(C(=O)CC3CC3)cc2)c(CN(C(=O)OC(C)(C)C)C2CCCC2)n1,JAOSICGBTWKHBR-UHFFFAOYSA-N
-rxn:4:212639:228878,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnn(C4COC4)c3)c2)CC1,ZWQKCKSVNSOBCF-UHFFFAOYSA-N
-rxn:4:212652:224716,COC(=O)c1cc(-c2ccc(N(C)C(=O)OC(C)(C)C)nc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,ANBOPTSDLTYGHW-UHFFFAOYSA-N
-rxn:4:212660:223534,COc1cccc(CN2CCC(COc3ncc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cn3)CC2)c1,DXLSQBKZBOMDFN-UHFFFAOYSA-N
-rxn:4:212675:225567,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C(=O)OC(C)C)c(C)c2)cc1[N+](=O)[O-],JYDGZCJFJTVTQZ-UHFFFAOYSA-N
-rxn:4:212677:223659,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)nn1,DSJCJHRYECAMKB-UHFFFAOYSA-N
-rxn:4:212722:222721,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)cc2)C(=O)N2CCN(C)CC2)cc1,QLKAMQJGTJQKBM-UHFFFAOYSA-N
-rxn:4:212746:227472,CCCOc1ncc(Cl)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCOCC2)c1,PUFYMPXWTCAUIQ-UHFFFAOYSA-N
-rxn:4:212771:222892,COc1cc(N2CCNCC2)ccc1-c1ccc2nc(N(CCN(C)C)C(=O)C3=COCCO3)sc2c1,PTHOVQVYYWUWLH-UHFFFAOYSA-N
-rxn:4:212798:224337,CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)c2cccc(OCc3ccc(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)cc3)c2C1=O,YZSIFSUSTQUKDO-UHFFFAOYSA-N
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-rxn:4:212831:225166,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)cc2C1c1ccccc1,XJBMFFMIRMCHRO-UHFFFAOYSA-N
-rxn:4:212839:225833,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(N5CCCCC5)c4F)ccn23)CC1,YOLMJJCYVBFWBN-UHFFFAOYSA-N
-rxn:4:212878:223939,COC(=O)c1nnn(-c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc2F)c1C(=O)OC,NROKPZLJGIAIAX-UHFFFAOYSA-N
-rxn:4:212917:225168,COC(=O)CN1CCC(Cn2cc(-c3ccc(CN4CCOCC4)c(F)c3)cn2)CC1,SNPNRLBXJZWDKH-UHFFFAOYSA-N
-rxn:4:212918:224594,CC(=O)N1CCCCC1c1ccccc1-c1cnn(CC2CN(C(=O)OC(C)(C)C)C2)c1,WKSDGFCRTABJQA-UHFFFAOYSA-N
-rxn:4:212920:224650,COCCN1CCC(Oc2ncc(-c3cc(F)ccc3OCC3CCOCC3)cn2)CC1,OGZLBUXXBNAQHR-UHFFFAOYSA-N
-rxn:4:212939:222837,CC(C)(C)NC(=O)Cc1cccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)c1,JFWCBIUJPFRCDJ-UHFFFAOYSA-N
-rxn:4:212939:222910,CCCNS(=O)(=O)c1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)c(C)c1,SKROVPCZWZNQRO-UHFFFAOYSA-N
-rxn:4:213018:222776,O=C(N1CC(Cn2cc(-c3ccc(CN4CCC(O)CC4)cc3F)cn2)C1)C1(c2ccc(F)cc2)CC1,MNTXSOYWTOAXRO-UHFFFAOYSA-N
-rxn:4:213045:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)C5CCC5)C4)nc3)cc2)CC1,XXLSROZHQMAFQE-UHFFFAOYSA-N
-rxn:4:213052:226308,CCc1cc(-c2cnc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)nc2)ccc1C(=O)OC,HCPQPDXBYJZZBI-UHFFFAOYSA-N
-rxn:4:213053:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,VBAIAJVUDPGQJU-UHFFFAOYSA-N
-rxn:4:213053:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,FZHMZBCRCFYEBH-UHFFFAOYSA-N
-rxn:4:213053:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,QIVJUJBVVCLLPD-UHFFFAOYSA-N
-rxn:4:213053:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,HSXAHDZVSPDPOR-UHFFFAOYSA-N
-rxn:4:213066:225007,O=C(c1ccc(-c2cccc(CN3CCCCC3)c2F)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,IAUVJIPHKVMESJ-UHFFFAOYSA-N
-rxn:4:213070:222581,CC(C)NS(=O)(=O)c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc12,KSTFRAGLTVAHIZ-UHFFFAOYSA-N
-rxn:4:213088:223132,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(N4CCNCC4)c3)c2C#N)CC1,FONDINQXFMHEDX-UHFFFAOYSA-N
-rxn:4:213097:223059,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(N4CCNCC4)cc3Cl)cn2)CC1,QFGFEUNXOBIRQZ-UHFFFAOYSA-N
-rxn:4:213098:223647,COc1cc(COc2ccc(-c3cc(C#N)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)cc(OC)c1,DTYCUUMVKVBKBC-UHFFFAOYSA-N
-rxn:4:213128:225537,CCN(CC)Cc1ccc(F)c(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)c(OC)n2)c1,BFSXKIKYYWCWJU-UHFFFAOYSA-N
-rxn:4:213132:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)c2)CC1,SUDPPJAMYJJBSV-UHFFFAOYSA-N
-rxn:4:213135:222984,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(CN4CCC(O)C4)cc3)cn2)CC1,ZFKMZBQCEXQYAM-UHFFFAOYSA-N
-rxn:4:213135:223894,CN1CCN(CCCOc2cccc(-c3cnc(OC4CCN(C(=O)CC(C)(C)C)CC4)nc3)c2)CC1,DLEXFLASGLMCIW-UHFFFAOYSA-N
-rxn:4:213176:224251,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)c2)CC1,SBWVPMIJPZLBIA-UHFFFAOYSA-N
-rxn:4:213178:224758,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)c(Cl)c4)cn3)C2)c(C)o1,JLXCRHUUYWDSKN-UHFFFAOYSA-N
-rxn:4:213180:222897,CCCCNS(=O)(=O)c1cccc(-c2cnc(OCC3CCN(C(=O)c4cc(C)oc4C)CC3)nc2)c1,VTKTWLPLZQCACU-UHFFFAOYSA-N
-rxn:4:213184:222634,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(OCCNC4CCCC4)c(F)c3)CC2)nc1,QEMRDHJGEURWFN-UHFFFAOYSA-N
-rxn:4:213186:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cccc(N3CC(C(=O)N4CC(Oc5cccnc5)C4)CC3=O)c2)CC1,YRPVVFGBJGEXCJ-UHFFFAOYSA-N
-rxn:4:213192:228223,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C4CC4)nc3F)n2)CC1,MXHYIIBQTBBGLX-UHFFFAOYSA-N
-rxn:4:213200:222943,COc1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)c(C(=O)N2CCC(Oc3cc(C)nc(C)n3)C2)c1,SSOZGEJAKKMSPA-UHFFFAOYSA-N
-rxn:4:213203:222887,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)N5CCNCC5)c4)cc3)CC2)nn1,WTLTXWJJYFLIQQ-UHFFFAOYSA-N
-rxn:4:213215:228301,CCOC(=O)c1sccc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,BCFHVIUVQBIJHI-UHFFFAOYSA-N
-rxn:4:213267:223040,CC(C)N1CCN(c2ccc(-c3ccc(C(=O)NC4CC4)c(F)c3)c(C(=O)OC(C)(C)C)n2)CC1,YSHQFIGLIQQQSN-UHFFFAOYSA-N
-rxn:4:213281:226416,Cc1onc(-c2ccccc2)c1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,HDMXTBFPFNAWAG-UHFFFAOYSA-N
-rxn:4:213381:224327,CCN1CCN(c2nc3ccc(OC(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCCC(C)C6)c5)cc4)cc3s2)CC1,YORFKOPRAHOUMX-UHFFFAOYSA-N
-rxn:4:213389:224834,CCCCn1c(C2CC(=O)N(c3ccccc3-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)C2)nc2ccccc21,NACBGOBFWFWQPV-UHFFFAOYSA-N
-rxn:4:213393:222948,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4s3)CC2)c1,REDSTJXOKFVDJA-UHFFFAOYSA-N
-rxn:4:213439:225123,O=C(Cn1ccc2c(-c3ccncc3OCC3CCCCO3)cccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,OIRPVUPBPUKOPM-UHFFFAOYSA-N
-rxn:4:213448:224740,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cccc(S(=O)(=O)N(C)C(C)(C)C)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,SPDLHPRAIADLGI-UHFFFAOYSA-N
-rxn:4:213449:224566,COC(=O)C1(c2ccc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccccc6OC)C5)c(-c5ccccc5)c4c3)cc2)CCCC1,KWFJDOAQPLOCDZ-UHFFFAOYSA-N
-rxn:4:213474:224247,CC1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)c(F)c2)CC1,BMSBQRKMJADQHB-UMSFTDKQSA-N
-rxn:4:213480:225601,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5(C#N)CCC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RKDUHKZUAVDUAJ-SIGULORKSA-N
-rxn:4:213480:225602,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5(C#N)CCC5)ccc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RIFQQKFNODRBEH-SIGULORKSA-N
-rxn:4:213480:226181,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5=CCCCC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RFWPZDNBOXYZHG-QPYSNBRXSA-N
-rxn:4:213480:226508,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCC5CC5)nc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YGCBWXQBWIFEQI-NFHREUMDSA-N
-rxn:4:213480:226576,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)N(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CPIALYSYSNPEBB-FGWXRDQWSA-N
-rxn:4:213481:225883,COC12CC(COC(=O)c3cncc(-c4cnc(C5CCOCC5)c(Cl)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,VTWYUANDQPSAMR-UHFFFAOYSA-N
-rxn:4:213653:222694,O=C(c1cncc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)c1)N1CC(CN2C(=O)COC2=O)C1,FDIHQNFIHSYZLX-UHFFFAOYSA-N
-rxn:4:213653:225294,CCN1CCN(c2ncc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)cn2)CC1,BTUJSONGNMOFIE-UHFFFAOYSA-N
-rxn:4:213653:225831,Cc1cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)cnc1N1CCOCC1,YVGLNKHSJIWHRW-UHFFFAOYSA-N
-rxn:4:213653:226275,Cc1cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)cnc1OCC(C)C,NHFHCMHXXLQTGR-UHFFFAOYSA-N
-rxn:4:213662:222808,CC(=O)N1CCC(COc2ncc(-c3cc(C(=O)NC(C)C)cc([N+](=O)[O-])c3)cn2)CC1,YMLQBDMHMMHEDK-UHFFFAOYSA-N
-rxn:4:213715:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1F,SOFZCXMRRCJLTD-UHFFFAOYSA-N
-rxn:4:213716:223743,Cc1ccc(-c2cnn(C3CCN(C(=O)OC(C)C)CC3)c2)cc1OCCCN1CCC(C)CC1,CMORCJMFGDOURY-UHFFFAOYSA-N
-rxn:4:213756:224718,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)s2)CC1,FJXYMHXZCCNSAU-UHFFFAOYSA-N
-rxn:4:213757:223054,CC(c1ccc(-c2cccc(CC3CCN(S(=O)(=O)N(C)C)C3)n2)s1)N1CCC(O)C1,GWIZRGRBJDUBDJ-UHFFFAOYSA-N
-rxn:4:213799:223065,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(N4CCNCC4)cc3F)ncn2)C1,UKJBLDPZQYQWIC-UHFFFAOYSA-N
-rxn:4:213833:224718,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccc(OCCN4CCOCC4)nc3)n2)CC1,UDLVZGHQFYGSIQ-UHFFFAOYSA-N
-rxn:4:213834:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,ARIBAZFYXPBUIS-UHFFFAOYSA-N
-rxn:4:213849:222948,O=C(C1CCCO1)N1CCC(Oc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)CC1,BTWBUVVSNYIINA-UHFFFAOYSA-N
-rxn:4:213872:225232,CC1CCN(c2cc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cnc2Cl)CC1,SPYSEFOAUTXDEF-UHFFFAOYSA-N
-rxn:4:213875:224759,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)n2)CC1,WMEMSROMNYEMHR-UHFFFAOYSA-N
-rxn:4:213875:225976,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3F)n2)CC1,KFVFSFOQJWQCSM-UHFFFAOYSA-N
-rxn:4:213887:223945,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)nc2)CC1,RVMBNPXUNAGBIO-UHFFFAOYSA-N
-rxn:4:213898:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)cc2)CC1,HTJCJJKGTMXKFE-RQNOJGIXSA-N
-rxn:4:213959:223527,Cc1ccc(CN2CCC(Oc3ncc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)cc1,FAXUDGPUFXJBTC-UHFFFAOYSA-N
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-rxn:4:213973:226708,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cc(C3OCCO3)ccc2Cl)CCO1)N1CCSCC1,YCWCUNIDDQGSEE-UHFFFAOYSA-N
-rxn:4:213982:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)cc1,BJMJQZYHQRBZLQ-UHFFFAOYSA-N
-rxn:4:213992:225768,COc1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)cc(Cl)c1OC(C)C,ILLMBLAAKIBHEA-UHFFFAOYSA-N
-rxn:4:213996:226021,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cc(Cl)ccc1OCC(F)(F)F,GDQUQUQHMGDOMN-UHFFFAOYSA-N
-rxn:4:213997:223556,CC1CN(c2ccncc2-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,CIAQOSMWYUHHQI-UHFFFAOYSA-N
-rxn:4:213999:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1,HGYDKSBLKHVUQX-UHFFFAOYSA-N
-rxn:4:214007:224329,CN(c1ccccn1)C1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)cc2)CC1,XZVKZKCXGNOEOQ-UHFFFAOYSA-N
-rxn:4:214011:226470,CCOC(=O)CCc1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)cs1,AWRCDRKRNGEBJB-UHFFFAOYSA-N
-rxn:4:214015:227258,CCCOc1ccc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCOCC3)c2)c(F)c1,QZUORFOQKPFRPA-UHFFFAOYSA-N
-rxn:4:214033:223122,CC(C)C(=O)Nc1cccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,ORHALROIZNHHKZ-DNQXCXABSA-N
-rxn:4:214033:227898,CC(C)Cc1cncc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1,FKUVIQBEOCALNY-DNQXCXABSA-N
-rxn:4:214046:223285,C[C@@H]1CN(c2ccc(-c3ccccc3NS(C)(=O)=O)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,NIWBMBINGJPCPF-DLBZAZTESA-N
-rxn:4:214061:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cc(C3=N[C@@H](c4ccccc4)CO3)nc(C3=N[C@@H](c4ccccc4)CO3)c2)c1,NLBPHIZEWVSAEB-RUAOOFDTSA-N
-rxn:4:214070:226340,N#Cc1cc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c(Cl)c(C2CC2)c1,PTCUUESSRVIFKI-UHFFFAOYSA-N
-rxn:4:214079:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCC3)c2)c1F,HJSAUBFVOTWTTE-UHFFFAOYSA-N
-rxn:4:214153:225472,CC1CCCCN1c1cccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c1,NSXVWHVSMQGCHX-UUSAFJCLSA-N
-rxn:4:214153:225498,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cc(C4CCCCC4)ccc3F)cnn2C1,ZEEXIPDJOZKPEP-GOSISDBHSA-N
-rxn:4:214231:225882,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(C5CCOCC5)c4)cccc3n2)C1,CTOSNXNVDHICTN-UHFFFAOYSA-N
-rxn:4:214273:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,XKVAZCIEHXOAEF-UHFFFAOYSA-N
-rxn:4:214276:224290,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(Cl)cc4OCCN4CCOCC4)cnc3[nH]2)CC1,PQJHVCGUBZLEFM-UHFFFAOYSA-N
-rxn:4:214306:224254,CC1CCCN(C(=O)c2cc(-c3cccc(C(=O)N4CCN(C(=O)c5cn(C)c6ccccc56)CC4)c3)ccc2F)C1,OOZGHBKZDSRPEV-UHFFFAOYSA-N
-rxn:4:214349:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1,RUMIESKHEAXSPH-UHFFFAOYSA-N
-rxn:4:214379:227222,CCN(CC)c1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cn1,IUFOOUVDKHDZRF-UHFFFAOYSA-N
-rxn:4:214627:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,GVYSXZVARHNVOX-UHFFFAOYSA-N
-rxn:4:214639:225947,CN1CCN(c2ncc(-c3cnc(N4CCCC(C(F)(F)F)C4)c([N+](=O)[O-])c3)cn2)CC1,GILZKZHFROWXGS-UHFFFAOYSA-N
-rxn:4:214681:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCCCC2C(F)(F)F)n1,VLVKPCSKDSUZGS-UHFFFAOYSA-N
-rxn:4:214684:225213,CN1CCN(C(=O)c2cc(-c3ccc(N4CCN(C)CC4)cc3Cl)cc([N+](=O)[O-])c2)CC1,RBSBQKKFVLVTNN-UHFFFAOYSA-N
-rxn:4:214684:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(C(=O)N2CCN(C)CC2)cc([N+](=O)[O-])c1,SKBPOJBZNRZOOE-UHFFFAOYSA-N
-rxn:4:214707:224627,CN(C)C1CN(C(=O)c2ccc(-c3cnn(C4CCN(S(=O)(=O)C5CC5)CC4)c3)cc2)C1,CQRWFDCMZOZXQV-UHFFFAOYSA-N
-rxn:4:214709:224810,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cn2)CC1,BUQAIVSQMKOFEA-UHFFFAOYSA-N
-rxn:4:214711:224316,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)cn2)CC1,PYDYCQIOKMCRNQ-UHFFFAOYSA-N
-rxn:4:214730:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)C1,XWQQZGFTVCYKET-UHFFFAOYSA-N
-rxn:4:214734:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)cn1,UFVKEAKYRRNHAB-UHFFFAOYSA-N
-rxn:4:214765:225050,CC1CCN(c2cc(F)cc(-c3cccc(N4CCC(N(C)C)CC4)c3[N+](=O)[O-])c2)CC1,CHWMFPJHNBPUBO-UHFFFAOYSA-N
-rxn:4:214766:224575,CC1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)c([N+](=O)[O-])c3)c(C#N)c2)CC1,CJVIRBDXAOMXPE-UHFFFAOYSA-N
-rxn:4:214766:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,POOFJRDCFYBTSD-UHFFFAOYSA-N
-rxn:4:214773:222717,Cc1cc(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)c(S(=O)(=O)NC(C)(C)C)cc1F,NYCQHGLJEMBHTP-UHFFFAOYSA-N
-rxn:4:214791:223712,COc1ccc(-c2ccc(N3CCN(CC4CC4)CC3)nc2C)cc1C12CC3CC(CC(C3)C1)C2,RHRZZXLVPXWMJU-UHFFFAOYSA-N
-rxn:4:214819:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)ccn2)CC1,UUHIIOSBWLNICN-UHFFFAOYSA-N
-rxn:4:214835:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,LDFOLVFOTUFJEQ-UHFFFAOYSA-N
-rxn:4:214835:225709,CN(C)CCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cn1,INYVOLFMTKKISC-UHFFFAOYSA-N
-rxn:4:214836:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,UZNKNJWULRVQCG-UHFFFAOYSA-N
-rxn:4:214852:225735,CCOc1cc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc(Cl)c1OCC,WRNCZXMAEAFSLT-UHFFFAOYSA-N
-rxn:4:214855:225881,Fc1nc(C2CCOCC2)ccc1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,ISUKRFBYAOPBER-UHFFFAOYSA-N
-rxn:4:214870:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)CC1,YUTPNLBBMQPQJJ-UHFFFAOYSA-N
-rxn:4:214871:224650,O=C(C1CCCN(c2ncc(-c3cc(F)ccc3OCC3CCOCC3)cc2Cl)C1)N1CCOCC1,DGEGHQRFMYQSIY-UHFFFAOYSA-N
-rxn:4:214872:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1Cl,BQCPEMJYUQOYMB-UHFFFAOYSA-N
-rxn:4:215026:224256,CC1CCCCN1C(=O)c1cc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3)ccc1Cl,PEVGEALHCXOPES-UHFFFAOYSA-N
-rxn:4:215170:225530,CCN(CC)Cc1ccc(F)cc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,CJWKNMJMQUEGHK-UHFFFAOYSA-N
-rxn:4:215184:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,QTTSGHUSXDAQTR-UHFFFAOYSA-N
-rxn:4:215197:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc1S(=O)(=O)NC1CCCCC1,JPIRHPQPWHTPAF-UHFFFAOYSA-N
-rxn:4:215197:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)CC1,IPMYAQONDLYRSW-UHFFFAOYSA-N
-rxn:4:215232:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4ccc(N5CCCC(C(=O)N6CCOCC6)C5)nc4c3)c2)CC1,SJOFZEOYJJDUPZ-UHFFFAOYSA-N
-rxn:4:215304:223737,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,RLZMYQIMQNHSQS-UHFFFAOYSA-N
-rxn:4:215309:225685,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3cnc(Cl)c(C4CCCCC4)c3)cccc1-2,TWBNTQYMZFEUIK-QHCPKHFHSA-N
-rxn:4:215725:223712,COc1ccc(-c2nc(OC)n(C3CCCCO3)n2)cc1C12CC3CC(CC(C3)C1)C2,BKEJIEDTBJHHKX-UHFFFAOYSA-N
-rxn:4:215725:223809,COc1nc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)nn1C1CCCCO1,PCSNIQYSXWYTIP-UHFFFAOYSA-N
-rxn:4:215772:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cc2F)CC1,BSPZCQSNEIIMJX-UHFFFAOYSA-N
-rxn:4:215800:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc(N3CCC(C(F)(F)F)CC3)n2)CC1,KLXVDXOYDVEREE-UHFFFAOYSA-N
-rxn:4:215800:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cncc(N2CCC(C(F)(F)F)CC2)n1,PSRZWLVPVUSJRX-UHFFFAOYSA-N
-rxn:4:215800:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cncc(N4CCC(C(F)(F)F)CC4)n3)c2)CC1,RMZZOQNXMLUZRQ-UHFFFAOYSA-N
-rxn:4:215800:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCC(C(F)(F)F)CC4)n3)cc2)CC1,RQYNCEWGJFBLQT-UHFFFAOYSA-N
-rxn:4:215802:223992,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,AQEQIVFDCKOZET-UHFFFAOYSA-N
-rxn:4:215802:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,RDYQYTKQZMGEIC-UHFFFAOYSA-N
-rxn:4:215802:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)nc3)cc2)CC1,HQYIPWQRCRMZMN-UHFFFAOYSA-N
-rxn:4:215802:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,VENXZEYVUNGBBD-UHFFFAOYSA-N
-rxn:4:215802:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1,JXVMWPJXEREMIB-UHFFFAOYSA-N
-rxn:4:215828:224407,CC1CN(c2ncc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)cc2[N+](=O)[O-])CCO1,SUEZSYINACRUNZ-UHFFFAOYSA-N
-rxn:4:215830:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1c(C(=O)N2CCC(F)(F)CC2)cnn1C,ZXLJMTZOIZNZPU-UHFFFAOYSA-N
-rxn:4:215848:224155,CN1CCN(c2cc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cc(C3CC3)c2)CC1,NZQSUSLPZWQVCJ-UHFFFAOYSA-N
-rxn:4:215854:223873,CC1CCN(C(=O)CCc2ccccc2-c2cccnc2C(=O)N2CCN(C)CC2)CC1,IQKKYMOXAHSQTB-UHFFFAOYSA-N
-rxn:4:215858:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCN(C)CC3)nc2)CC1,VEMVHGJPSMTXRK-UHFFFAOYSA-N
-rxn:4:215865:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2nc(C(=O)N3CCN(C)CC3)ccc2F)CC1,XNAUWUAUKRPCPH-UHFFFAOYSA-N
-rxn:4:215865:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3nc(C(=O)N4CCN(C)CC4)ccc3F)c2)C1,LMFRJFDXCFZHEG-UHFFFAOYSA-N
-rxn:4:215886:223602,CC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,UTNSCYXRQIMSPE-UHFFFAOYSA-N
-rxn:4:215899:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)cn2)c1,WRCQZDVRLKKLPT-UHFFFAOYSA-N
-rxn:4:215900:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1S(=O)(=O)NC1CCCC1,AWZPZNQIYTVMRD-UHFFFAOYSA-N
-rxn:4:215904:224155,CN1CCN(c2cc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc(C3CC3)c2)CC1,GXDVWNUAGPWNEA-UHFFFAOYSA-N
-rxn:4:215904:224378,CS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,KXUZVZGMBJPILB-UHFFFAOYSA-N
-rxn:4:215906:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cncc(S(=O)(=O)N2CCN(C)CC2)c1,DKTPYRLJGMZJJB-UHFFFAOYSA-N
-rxn:4:215907:222724,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,FVTLDEPRSYTEBY-UHFFFAOYSA-N
-rxn:4:215908:224155,CN1CCN(c2cc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cc(C3CC3)c2)CC1,UYKBXNHDKRXPRG-UHFFFAOYSA-N
-rxn:4:215912:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2F)CC1,YPGUBERBFPLLCF-UHFFFAOYSA-N
-rxn:4:215912:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2)CC1,FTWDOPZOIUDBAT-UHFFFAOYSA-N
-rxn:4:215913:224773,Cc1cc(-c2cnc(N3CCN(C)CC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCCC1,JXRZMBFLTKVTMP-UHFFFAOYSA-N
-rxn:4:215914:223992,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)cc1S(=O)(=O)N1CCN(C)CC1,DZQMSFHGVJBFOO-UHFFFAOYSA-N
-rxn:4:215914:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,KCYOPLYTTYWEEW-UHFFFAOYSA-N
-rxn:4:215914:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,SQPGHPHGIZTPRH-UHFFFAOYSA-N
-rxn:4:215914:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,MRTYBOIMRKXCPF-UHFFFAOYSA-N
-rxn:4:215914:224323,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)cc(C)c1S(=O)(=O)N1CCCC1,VBVOBAAKIOONCT-UHFFFAOYSA-N
-rxn:4:215940:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)c2)CC1,KZLJGQXSQCUNNZ-UHFFFAOYSA-N
-rxn:4:215940:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCC(N(C)C)CC2)cn1,OPJFAQWAFOGYBE-UHFFFAOYSA-N
-rxn:4:215942:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2F)CC1,ONFMJNDEHGVNDZ-UHFFFAOYSA-N
-rxn:4:215944:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2)CC1,FNKHXVILAOMTIU-UHFFFAOYSA-N
-rxn:4:215953:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCC(N(C)C)CC2)nc1,MHOQXYBABZDEBV-UHFFFAOYSA-N
-rxn:4:215955:223753,Cc1ccc(-c2cnccc2N2CCC(N(C)C)CC2)cc1OCCCN1CCN(C)CC1,GUJFPWQFZGAQAZ-UHFFFAOYSA-N
-rxn:4:215957:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccnc1N1CCC(N(C)C)CC1,FGJLDKJABCGWJN-UHFFFAOYSA-N
-rxn:4:215984:223959,CCN1CCN(C(=O)c2cc(-c3ccc(-n4cccc4C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3)ccc2Cl)CC1,NRAIREFWMNREEQ-UHFFFAOYSA-N
-rxn:4:216205:223811,COc1ccnc2c(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)nn(C3CCCCO3)c12,ADSYMLMJLKXCNQ-UHFFFAOYSA-N
-rxn:4:217155:223522,Cn1c(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cnc1N1CCCCC1,WSGXHIWJKPTANF-UHFFFAOYSA-N
-rxn:4:217204:222466,Cc1nc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc(N2CCC(C)CC2)n1,GBGQIONDTIQDNJ-UHFFFAOYSA-N
-rxn:4:217889:224782,CN1CCN(c2cc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc(F)c2F)CC1,UHYXHEONXHPWAJ-UHFFFAOYSA-N
-rxn:4:218538:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnn4c(Cl)c5c(nc34)CCC5)cc2Cl)CC1,XBLWZRNJMRKFLA-UHFFFAOYSA-N
-rxn:4:218567:227610,CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccn(C3CCCCO3)n2)cn1,JVPSMZNCRLYFEL-UHFFFAOYSA-N
-rxn:4:218585:224193,CCN1CCN(Cc2cc(-c3cnc(OCC4CCN(Cc5ccc(C#N)cc5F)CC4)nc3)ccc2F)CC1,QLGOGJXJRZEVIN-UHFFFAOYSA-N
-rxn:4:218615:223186,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cnn(C3CCCCO3)c2)cn1,NLQWKJSUKOKWDC-UHFFFAOYSA-N
-rxn:4:218617:224252,COc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)c(C(=O)N2CCN(CCn3cccn3)CC2)c1,OHXQEONNWWHGCM-UHFFFAOYSA-N
-rxn:4:218619:225156,O=C(CCc1ccccc1-c1cc(C(=O)N2CCCC2)ccc1F)N1CCC(n2cc(C3CC3)nn2)C1,ZUXNDZGEKIHJPR-UHFFFAOYSA-N
-rxn:4:218643:225217,CC1CCCN(c2cc(F)c(-c3cncc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)c3)cn2)C1,JZPWVSPXUPOGEA-UHFFFAOYSA-N
-rxn:4:218666:223945,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)C2)nn1,GSLDBOBUPXWCBQ-UHFFFAOYSA-N
-rxn:4:218666:225898,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)C2)nn1,ANTKUMKDXYBTPV-UHFFFAOYSA-N
-rxn:4:218681:225217,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnc(N5CCCC(C)C5)cc4F)cn3)CC2)CC1,SZLDNUFRWRNULM-UHFFFAOYSA-N
-rxn:4:218686:222404,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3ccc(C4NC(=O)NC4=O)cc3)CC2)CC1,PJFTYYDBAQAZNN-UHFFFAOYSA-N
-rxn:4:218698:222681,CC(C)(C)OC(=O)NCc1cccc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)c1F,ZSOFTHZOAAQSCR-UHFFFAOYSA-N
-rxn:4:218705:225898,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)n[nH]2)CC1,LCQBKBIMPPRMDR-UHFFFAOYSA-N
-rxn:4:218711:226634,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cncc(-c4ccncn4)c3)CC2)CC1,MJWWQOKJABJCRY-UHFFFAOYSA-N
-rxn:4:218746:224690,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5ccc(CN6CCC(=O)CC6)cc5F)cc4)nnc3s2)C1,LFAYJRJTTLIBSL-UHFFFAOYSA-N
-rxn:4:218804:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnn(CC2CN(Cc3cccc(C#N)c3)C2)c1,GVUPGMAYLLRVOD-UHFFFAOYSA-N
-rxn:4:218814:223598,CC(C)(C)OC(=O)Cn1nnn(-c2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)c1=O,NNOAQMZPELEGOL-UHFFFAOYSA-N
-rxn:4:218818:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c(C(=O)N2CC(Cn3ccnn3)C2)c1,VVHIEXKBPLHSOG-UHFFFAOYSA-N
-rxn:4:218867:225605,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)cnc3OC3CCCC3)c2)no1,NMEYNIWQMGMGOF-UHFFFAOYSA-N
-rxn:4:218867:225794,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCCCC4)nc3)c2)no1,PVKMHASNZVCIRJ-UHFFFAOYSA-N
-rxn:4:218868:222742,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)no1,QVGVLAIOKQGQEP-UHFFFAOYSA-N
-rxn:4:218868:225688,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(C4CCCCC4)c(Cl)c3)cc2)no1,ZESQDGLAWRQSBL-UHFFFAOYSA-N
-rxn:4:218868:225947,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCN(C)CC4)nc3)cc2)no1,ITRJIFDXEPCARU-UHFFFAOYSA-N
-rxn:4:218868:225979,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2)no1,MORUZGGGMVUCDV-UHFFFAOYSA-N
-rxn:4:218868:227657,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCOCC4)s3)cc2)no1,SMFNCFFFSKYNID-UHFFFAOYSA-N
-rxn:4:218879:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)c5ccccn5)CC4)nc3)c2)C1,BFJBZUICJRMCEE-UHFFFAOYSA-N
-rxn:4:218888:224777,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cnc(C4CCCC4)c(C(F)(F)F)c3)cn2)C1,UBIPYECWUDSQHU-UHFFFAOYSA-N
-rxn:4:218944:227213,CCCCSc1cncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,LASHXVPOFDSVKB-UHFFFAOYSA-N
-rxn:4:218945:223184,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCNCC4)nc3)cncc2[N+](=O)[O-])CC1,GOKIJMNHZSSSLE-UHFFFAOYSA-N
-rxn:4:218964:228974,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnn(S(C)(=O)=O)c4)cn3)C2)CC1,YYDBDDVHARFHSR-UHFFFAOYSA-N
-rxn:4:218965:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cnn2C)c1F,ZCYOIVGMHBZXKP-UHFFFAOYSA-N
-rxn:4:218998:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)CC1,VJYNMGMUBSLIOS-UHFFFAOYSA-N
-rxn:4:219001:223895,CCN1CCN(CCOc2ccc(-c3cccnc3OC3CCN(C(=O)N4CCN(CC)C(=O)C4=O)C3)cc2)CC1,MIFHOIOBRHKMTN-UHFFFAOYSA-N
-rxn:4:219043:222583,CC1CN(Cc2nn(C)cc2-c2ccc(C(=O)NCCN3CCOCC3)cc2)CCN1C(=O)OC(C)(C)C,KWAPYNIBMDLVBG-UHFFFAOYSA-N
-rxn:4:219043:228140,CC(c1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)s1)N(C)C,WEQJLEDXUSHRDE-UHFFFAOYSA-N
-rxn:4:219046:227218,O=C1C(N2CCCC(COc3ncc(-c4ccccc4OCCCF)cn3)C2)CCN1C1CC1,GHRONZLQJRQJOC-UHFFFAOYSA-N
-rxn:4:219067:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(N5CC(C(=O)N6CCC(Cn7ccnc7)CC6)CC5=O)c4)c3)cccc12,MNOOPQKTVGUPGF-UHFFFAOYSA-N
-rxn:4:219093:222892,CCC(=O)C1=C(c2ccc(-c3ccc(N4CCNCC4)cc3OC)cc2)N(C(=O)CC)n2cnnc2S1,TXOLUGGNQBHGJO-UHFFFAOYSA-N
-rxn:4:219120:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XAVDOEBQMSUSAW-UHFFFAOYSA-N
-rxn:4:219120:224772,O=C(c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c(Cl)c1)N1CCOCC1,NCEMKAAACSTKIT-UHFFFAOYSA-N
-rxn:4:219130:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c(Cl)c2)CC1,BHPBNLOOYHQDOW-UHFFFAOYSA-N
-rxn:4:219184:225877,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,MJXVZYNXXWXTQY-UHFFFAOYSA-N
-rxn:4:219274:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnn(CC2CN(c3cc(C(F)(F)F)ccn3)C2)c1,KCPFWMBKFHDGEP-UHFFFAOYSA-N
-rxn:4:219340:224394,Cc1ccc(-c2ccc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)o2)cc1S(=O)(=O)N1CCOCC1,ZLMBFBJIFRXWLF-UHFFFAOYSA-N
-rxn:4:219354:222633,CN(C1CCN(c2ncc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,AFQTZHITEXTRSN-UHFFFAOYSA-N
-rxn:4:219471:225518,CCCCCOc1ncc(C)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCCC2)C1,OKXROQIRLOEBKF-UHFFFAOYSA-N
-rxn:4:219477:224378,O=C(c1ccccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,IAYBDULROFAPBL-UHFFFAOYSA-N
-rxn:4:219492:222583,CC(C)c1nnc(C2CCN(C(=O)c3cncc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)c3)CC2)o1,WDQXLHXVHHGBEC-UHFFFAOYSA-N
-rxn:4:219500:226303,CCCC(=O)c1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c1,CQDYKHUJIMBDDP-UHFFFAOYSA-N
-rxn:4:219500:227495,CCN(C)c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c(F)cn1,NXDKYYHQKLKEGF-UHFFFAOYSA-N
-rxn:4:219500:227658,CN(C)c1cc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc1F,CDFOWSHEIVLKCL-UHFFFAOYSA-N
-rxn:4:219506:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1,MXXDCSYMRRJVTN-UHFFFAOYSA-N
-rxn:4:219516:224022,CN1CC(CN2CCC(Oc3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC2)CC1=O,SBIYZFAHNHNMAN-UHFFFAOYSA-N
-rxn:4:219516:225655,CC1CCN(c2cncc(-c3cnc(OC4CCN(CC5CC(=O)N(C)C5)CC4)nc3)c2)CC1,BYVAVINDLYEKIS-UHFFFAOYSA-N
-rxn:4:219517:224656,COc1ccc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)c(F)c1OC1CCCC1,XOAJFGHFXXLMOM-UHFFFAOYSA-N
-rxn:4:219524:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cncc(C(=O)N4CCCC(Oc5nc(C)cc(C)n5)C4)c3)c2)C1,XTMPRHPRWZNSNP-UHFFFAOYSA-N
-rxn:4:219532:228466,COC(=O)c1sc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)nc1OC,GMRHGSNNUUCMGF-UHFFFAOYSA-N
-rxn:4:219552:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,DNLWEUGRTJIFGB-UHFFFAOYSA-N
-rxn:4:219553:226231,CCCCOc1ncc(-c2ccc(Cl)c(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cc1C,QANRMKKIRXAVAT-UHFFFAOYSA-N
-rxn:4:219589:222546,CCCCCn1c(-c2ccc(OCCNC3CCCCC3)c(F)c2)nc2c1c(=O)n(C)c(=O)n2C,FIWKEKWSOJLLRD-UHFFFAOYSA-N
-rxn:4:219596:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5nc6ccc(OC)cc6s5)C4)c3)c(F)cc2C)CC1,SGMRFXCIDZAZMJ-UHFFFAOYSA-N
-rxn:4:219654:224198,CCN1CCN(Cc2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c(F)c2)CC1,DVDFFVWUIFHETI-UHFFFAOYSA-N
-rxn:4:219654:224373,COc1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)N1CCCC1,WWFWUHJOHFMKNP-UHFFFAOYSA-N
-rxn:4:219654:225984,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cnc(Cl)c(N5CCOCC5)c4)cc23)CC1,QNHAXHHRMHJBFV-UHFFFAOYSA-N
-rxn:4:219676:223992,Cc1ccc(-c2cncc(C(=O)N3CCC(Oc4cnc5ccccc5n4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PVIHGXSIOYMEJS-UHFFFAOYSA-N
-rxn:4:219704:225984,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3n2)CC1,RVONNJGTOHQHPT-UHFFFAOYSA-N
-rxn:4:219721:224132,CN(C(=O)c1ccccc1-c1cncc(C(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)c1)C1CCCCC1,NKZKMPICDKQCES-UHFFFAOYSA-N
-rxn:4:219848:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccccc1S(=O)(=O)N1CC(n2ccnn2)C1,QBDQEIFPXVWVIH-UHFFFAOYSA-N
-rxn:4:219859:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCC(n4nccn4)CC3)o2)CC1,VUYRGJPUBIPLII-UHFFFAOYSA-N
-rxn:4:219880:225212,CSc1ncc(-c2cc(F)cc(N3CCN(C)CC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,ZXCKUCIFLSPHDB-UHFFFAOYSA-N
-rxn:4:219890:224368,CCN1CCN(Cc2nn(C)cc2-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)CC1,YKEVAOGZCSCHKX-UHFFFAOYSA-N
-rxn:4:219908:224325,CN1CCCN(c2oc(-c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)o3)nc2C#N)CC1,BSCXSHOYBIPYTE-UHFFFAOYSA-N
-rxn:4:219932:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccccc3CN3CCN(c4ccncn4)CC3)c2Cl)CC1,ULYDLOGAWUXQSC-UHFFFAOYSA-N
-rxn:4:220162:226122,COCc1ccc(C2CC2)c(-c2cnc(SC)nc2N2CC(N3CC4CCCC4C3)C2)c1,PEUPSIYRCPPIFU-UHFFFAOYSA-N
-rxn:4:220162:226444,CSc1ncc(-c2ccc(C3CCCO3)nc2C)c(N2CC(N3CC4CCCC4C3)C2)n1,WWNCOBDXERKXFJ-UHFFFAOYSA-N
-rxn:4:220162:226464,COc1ccc2c(c1-c1cnc(SC)nc1N1CC(N3CC4CCCC4C3)C1)OCCO2,UZHDWOHRUYXWSM-UHFFFAOYSA-N
-rxn:4:220164:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC(c5nnc6ccccn56)CC4)cc3)ccc2Cl)CC1,OPLDXKVVKHPQAI-UHFFFAOYSA-N
-rxn:4:220171:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)cc2C)CC1,PVLRZYQHUOBKIK-UHFFFAOYSA-N
-rxn:4:220399:223508,CN1CCN(c2c(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cncc2[N+](=O)[O-])CC1,SOTZMPIFUMNWQO-UHFFFAOYSA-N
-rxn:4:220413:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(N(C)C)CC2)nc1,UEZHMZYTVTTXRN-UHFFFAOYSA-N
-rxn:4:220430:225165,COc1cc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)ccc1N1CCOCC1,SZTGEBGFPWBPMI-UHFFFAOYSA-N
-rxn:4:221121:224482,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCCCN6CCCC6)c5)ccc43)CC2)CC1,DKMZJMUSBGIEQZ-UHFFFAOYSA-N
-rxn:4:221152:222634,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,FLFOECNEKDRHSX-UHFFFAOYSA-N
-rxn:4:221153:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(COc5cc(C#N)ccn5)C4)nc3)c2Cl)CC1,BFWJJHKYPXXPLQ-UHFFFAOYSA-N
-rxn:4:221169:222432,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cn3)C2)cn1,FBWVHVLGRNEHAR-UHFFFAOYSA-N
-rxn:4:221172:223522,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)cn3)CC2)ccc1=O,IFKLFNZOFHMHJC-UHFFFAOYSA-N
-rxn:4:221175:227415,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(C)(C)C)nc4F)cn3)C2)C(=O)C1=O,IDPQHMKPKJKTBK-UHFFFAOYSA-N
-rxn:4:221175:228242,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)c(F)cc4OC)cn3)C2)C(=O)C1=O,JFCJXZAPTOWMOV-UHFFFAOYSA-N
-rxn:4:221175:228252,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(OC)ccc(C)c4F)cn3)C2)C(=O)C1=O,UREGJPKCSAHLIR-UHFFFAOYSA-N
-rxn:4:221175:228275,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C)cc(F)c4OC)cn3)C2)C(=O)C1=O,HHBDTZPFVBRNME-UHFFFAOYSA-N
-rxn:4:221175:228401,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)ccc(F)c4OC)cn3)C2)C(=O)C1=O,PQAVRTUTBJXKCB-UHFFFAOYSA-N
-rxn:4:221175:228422,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)ccc(Cl)c4OC)cn3)C2)C(=O)C1=O,FNRVEKTYOOULFS-UHFFFAOYSA-N
-rxn:4:221175:228423,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(Cl)c(F)c4OC)cn3)C2)C(=O)C1=O,DDQPONYSQLXCIQ-UHFFFAOYSA-N
-rxn:4:221175:228439,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(Cl)c4OC)cn3)C2)C(=O)C1=O,QKNVSZYYWGUDQJ-UHFFFAOYSA-N
-rxn:4:221175:228799,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(Cl)c4OC)cn3)C2)C(=O)C1=O,IPOPHJHGIDDCAE-UHFFFAOYSA-N
-rxn:4:221175:228914,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(F)c4OC)cn3)C2)C(=O)C1=O,OPSOYBHQTOCFIU-UHFFFAOYSA-N
-rxn:4:221181:223602,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)nn1C,CKDMBCYXONBGMF-UHFFFAOYSA-N
-rxn:4:221194:223054,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)CC2)cn1C,FEHLKVDCFQLQKF-UHFFFAOYSA-N
-rxn:4:221207:225357,CCOc1cc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(F)c(C(F)(F)F)c1,BJSJVUKGVIQZPI-UHFFFAOYSA-N
-rxn:4:221228:224101,CC1CCN(CCOc2cccc(-c3cnc(OCC4CCN(C(=O)c5cnc6ccccc6n5)CC4)nc3)c2)CC1,GWROZERKULNNSY-UHFFFAOYSA-N
-rxn:4:221232:225361,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cn(C5CCCC5)nc4C(F)(F)F)cn3)C1)CCOC2,FLDWJLFHDPNSDA-UHFFFAOYSA-N
-rxn:4:221333:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1C(=O)N1CC(c2nc(-c3cnccn3)no2)C1,VXRCJUYOONXKSV-UHFFFAOYSA-N
-rxn:4:221351:222522,COc1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,XGEPYRORKXLCEQ-UHFFFAOYSA-N
-rxn:4:221374:223812,Cn1ccnc(N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c1=O,OGPWEYJKBGEEMY-UHFFFAOYSA-N
-rxn:4:221379:222730,CCCc1cc(-c2cncc(C(=O)N3CCC(N(C)c4ncc(Cl)cn4)CC3)c2)cc(C2CCNCC2)n1,LMCUFBBZNORAPH-UHFFFAOYSA-N
-rxn:4:221395:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)ccn1,IRUAYCCQZJTDSS-UHFFFAOYSA-N
-rxn:4:221414:226419,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4ccc(N5CCCC5)cc4Cl)c3)CC2)cn1C,AWUIDGPMBDDSES-UHFFFAOYSA-N
-rxn:4:221431:223191,CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1F,LKMJNNJKULYQDT-UHFFFAOYSA-N
-rxn:4:221436:226844,O=C(c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,YANIAPHMSCNUSS-UHFFFAOYSA-N
-rxn:4:221449:222580,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)cc3)CC2)n1,QBVUCWGGLAKBHS-UHFFFAOYSA-N
-rxn:4:221449:228281,COc1cc(Cl)c(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,VPJRNIZCZGASAC-UHFFFAOYSA-N
-rxn:4:221498:224194,CCN1CCN(Cc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2Cl)CC1,NUBYHSMVMDUDAZ-UHFFFAOYSA-N
-rxn:4:221521:223595,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cn4)C3)n1)CCC2,OYTWYYQAACKTNM-UHFFFAOYSA-N
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-rxn:4:221543:223505,Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,LGDWOUPPSMSGFQ-UHFFFAOYSA-N
-rxn:4:221572:222891,COc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCC(C)C)c(=O)n3C)cc2)cc(C2CCNCC2)n1,RFQQYYNGIIULDN-UHFFFAOYSA-N
-rxn:4:221703:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(N2CC3CN(c4ncccc4C(F)(F)F)CC3C2)nc1,OJVVONZKJBVRDH-UHFFFAOYSA-N
-rxn:4:221726:222772,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(Cl)c(C(=O)NC4CCCC4)c3)cn2)CC1,BMGZHMBYWDFSGQ-UHFFFAOYSA-N
-rxn:4:221726:225805,CC(c1ccc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1)N1CCOCC1,USPBLOROYYKZGR-UHFFFAOYSA-N
-rxn:4:221727:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)c(F)c2s1,LZQDUVNNJMFIRP-UHFFFAOYSA-N
-rxn:4:221732:224761,Cn1c(N2CC3CN(C(=O)c4cncc(-c5cccc(S(=O)(=O)N6CCCCC6)c5)c4)CC3C2)nc2ccccc21,HWALQURAWHGNIT-UHFFFAOYSA-N
-rxn:4:221836:225227,CC1CCN(c2ncc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2Cl)CC1,PMKXIOWNFQUYPW-UHFFFAOYSA-N
-rxn:4:221920:222628,CCOc1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,ATSQJRXMXVHFGU-UHFFFAOYSA-N
-rxn:4:221937:222546,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)nn1,UTYNGGSWAKLUME-UHFFFAOYSA-N
-rxn:4:221980:222546,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)sc3n2)CC1,SHVGGODQUUFYMR-UHFFFAOYSA-N
-rxn:4:221980:225870,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)cc(N6CCOCC6)c5)c4)sc3n2)CC1,XISJAZSYWBTSAT-UHFFFAOYSA-N
-rxn:4:221981:223091,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cnc(NC(=O)OC(C)(C)C)s6)c5)no4)C3C2=O)cc1,BTSHBPJCGOASIV-UHFFFAOYSA-N
-rxn:4:222044:224394,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCOCC6)c5)cc4)CC3)nn2)n1,JZHKYUOCXWWCDC-UHFFFAOYSA-N
-rxn:4:222062:228938,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(C)cnc(Cl)c4F)cc3)CC2)n1,LVUKVLCGGMVBBT-UHFFFAOYSA-N
-rxn:4:222077:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)cc2[N+](=O)[O-])CC1,LGIWJHZDIIUBIP-UHFFFAOYSA-N
-rxn:4:222089:223054,CC(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)s1)N1CCC(O)C1,JUJNMPNNCLLQNS-UHFFFAOYSA-N
-rxn:4:222108:222853,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCC(O)CC7)cc6)cc5)no4)C3C2=O)cc1F,NNYJOWIYATYKLT-UHFFFAOYSA-N
-rxn:4:222108:223010,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(O)CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,UIWBLTABVATVSZ-UHFFFAOYSA-N
-rxn:4:222120:223043,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC7CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1C,MQGYTIJCINCMSQ-UHFFFAOYSA-N
-rxn:4:222148:222584,Fc1cc(-c2cnc(N3CCN(c4ccc(C(F)(F)F)nn4)CC3)nc2)ccc1OCCCN1CCNCC1,VBCZZIMSHSJDHN-UHFFFAOYSA-N
-rxn:4:222168:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,QDUXCNUDECWCSX-UHFFFAOYSA-N
-rxn:4:222192:222855,COc1cc(-c2cnc(N3CCN(c4nc(C5CC5)nc5c4CCC5)CC3)nc2)cc(C2CCCNC2)c1,POUVKLKJGZYDLC-UHFFFAOYSA-N
-rxn:4:222192:225044,C[Si](C)(C)c1cc(-c2cnc(N3CCN(c4nc(C5CC5)nc5c4CCC5)CC3)nc2)cc([Si](C)(C)C)c1,ZYECTGZYEBKMMS-UHFFFAOYSA-N
-rxn:4:222337:225883,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cnc(C5CCOCC5)c(Cl)c4)cn3)CC2)n1,ZFGCKSDNJBKJKW-UHFFFAOYSA-N
-rxn:4:222379:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)cc2[N+](=O)[O-])CC1,PYHZNFJVHIZABA-UHFFFAOYSA-N
-rxn:4:222389:214666,Cc1noc(C2CN(S(=O)(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)C2)n1,KISQIJRIHUNLSP-UHFFFAOYSA-N
-rxn:4:222432:213969,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,AMXXHDFENQQPFJ-UHFFFAOYSA-N
-rxn:4:222513:215143,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1,FKIWSBQFWBISKZ-UHFFFAOYSA-N
-rxn:4:222623:194734,CCC(C)c1cc(-c2ccc3cc(C4([N+](=O)[O-])COC(C)(C)OC4)ccc3c2)cc(C2CCNCC2)n1,ISPJEOXSRAFKMY-UHFFFAOYSA-N
-rxn:4:222630:219338,CN(C)C(=O)N1CCC(Oc2ncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)CC1,HMSNFNMTMOEELV-UHFFFAOYSA-N
-rxn:4:222740:183923,CC(C)c1cc(-c2ccc(OCC(=O)N(c3ccccc3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,NBEPVMYIAYMNPD-UHFFFAOYSA-N
-rxn:4:222740:215275,CC(C)c1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C(c2ccc([N+](=O)[O-])cc2)O3)cc(C2CCCNC2)n1,KRMUNJGOQTVYJF-UHFFFAOYSA-N
-rxn:4:222811:219959,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc(Cl)n1,ILKOYLGUHZZJFR-UHFFFAOYSA-N
-rxn:4:222891:219950,COc1cc(-c2cnc(SC)nc2N2CCN(C3CCC3)CC2)cc(C2CCNCC2)n1,IKIJVHCOFBDIDK-UHFFFAOYSA-N
-rxn:4:222902:204585,COC(=O)CNC(=O)c1cccc(-c2cnc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)c1,TYVLKAJCZMLRRP-UHFFFAOYSA-N
-rxn:4:222931:218868,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(N4CCCCC4O)c3)cc2)no1,SOVDWTFZEYKGND-UHFFFAOYSA-N
-rxn:4:222941:204683,CONS(=O)(=O)c1c(C)cc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1C,QJGCTOLPUBEBIU-UHFFFAOYSA-N
-rxn:4:222981:215989,CN1CCN(C2CCN(c3ccc(-c4ccnc(NC5CCCCC5)c4)cc3)CC2)CC1,LYVHZDOMNBDACR-UHFFFAOYSA-N
-rxn:4:222990:214855,OC1CCN(c2ccc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)cc2)CC1,CZLPZJLJVXPENN-UHFFFAOYSA-N
-rxn:4:223590:204409,CC(=O)CCn1ncc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cc2c1=O,GYWURVSZIQPANO-UHFFFAOYSA-N
-rxn:4:223771:178293,COC(=O)C1(c2ccccc2-c2cc3cc(OC)ccc3n2C(=O)OC(C)(C)C)CCC(=O)CC1,LPNMCMBRGXAPTF-UHFFFAOYSA-N
-rxn:4:223830:218818,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CC(Cn4ccnn4)C3)ccc2C)CC1,QBEPJOVCLIMJFB-UHFFFAOYSA-N
-rxn:4:223980:209879,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(F)(F)CC4)cc3C)c2)CC1,PJBSDHWNEKSAHK-UHFFFAOYSA-N
-rxn:5:176590:223054:223062,CCOC(=O)c1c(-c2ccc(C(C)N3CCC(O)C3)s2)cccc1-c1cnc(C2CCNCC2)cc1F,ZURLDJHAXMQSNW-UHFFFAOYSA-N
-rxn:5:176858:225800:223062,COC(=O)c1cc(-c2ccc(C(=O)N3CCSC3)cc2)c(OC)cc1-c1cnc(C2CCNCC2)cc1F,STWYZKUDUZTCJC-UHFFFAOYSA-N
-rxn:5:177184:223064:226654,CCOC(=O)c1c(-c2csc(N3CCC(C)CC3)n2)ccc(C)c1-c1ccc(C2CCNCC2)nc1F,YZQVHTCDACIVDC-UHFFFAOYSA-N
-rxn:5:177185:223061:225598,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cccc(CN2CCSCC2)c1,PGDAXVGUQQZORJ-UHFFFAOYSA-N
-rxn:5:177186:223063:225631,CCOC(=O)c1cc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cc(F)nc(C3CCNCC3)c2)cc1C,MVNGTKNFTORKKQ-UHFFFAOYSA-N
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-rxn:5:177190:225632:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2cccc(N3CCN(C)CC3)c2)c1,ZKDAMQHRFJKENF-UHFFFAOYSA-N
-rxn:5:177190:225636:225465,CCS(=O)(=O)Cc1ccc(-c2cccc(C3CCN(C)CC3)c2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,UZJOBBRYBSMRJP-UHFFFAOYSA-N
-rxn:5:177190:225639:225456,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCN(C)CC3)cc2)c(-c2cccnc2N2CCC(C)CC2)c1,HIOOKIUOPYBJNK-UHFFFAOYSA-N
-rxn:5:177190:226427:225679,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2F)c(-c2cc(N3CCC(C)CC3)cs2)c1,LZAIHWWWBYWHGQ-UHFFFAOYSA-N
-rxn:5:177190:227449:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCOCC3)s2)c1,QZDHNXBDSGLWNZ-UHFFFAOYSA-N
-rxn:5:177191:225601:223006,N#CC1(c2ccc(-c3cc(-c4ccc(F)c(C5CCNCC5)c4)ccc3CC(=O)C3CC3)c(F)c2)CCC1,PNQPLQNMXZIMOW-UHFFFAOYSA-N
-rxn:5:177191:225805:222996,CC(c1ccc(-c2cc(-c3ccc(F)cc3C3CCCNC3)ccc2CC(=O)C2CC2)s1)N1CCOCC1,CTJLUXMPCFIJQA-UHFFFAOYSA-N
-rxn:5:177373:222985:226733,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccc(S(=O)(=O)N(C)C)cc2)ccc1OCC1OCCO1,GGEWCJJJHMSCDC-UHFFFAOYSA-N
-rxn:5:177373:227803:226428,CC1CCCCN1c1csc(-c2ccc(OCC3OCCO3)c(-c3ccnn3S(=O)(=O)N(C)C)c2)c1,FKYNEMOKSJWYQU-UHFFFAOYSA-N
-rxn:5:177373:227804:225833,O=[N+]([O-])c1cc(-c2cc(-c3ccnc(N4CCCCC4)c3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,SRFUDZJGNLWQNJ-UHFFFAOYSA-N
-rxn:5:177373:227804:225834,O=[N+]([O-])c1cc(-c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,PWVHPFZQSURAFP-UHFFFAOYSA-N
-rxn:5:177446:225805:225986,COc1c(OC(C)C)cc(-c2ccc(C(C)N3CCOCC3)s2)cc1-c1ccccc1N1CCCS1(=O)=O,OFTOJRWURHLSOX-UHFFFAOYSA-N
-rxn:5:177730:223294:223054,CC(c1ccc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,PAGGRDCHESAION-UHFFFAOYSA-N
-rxn:5:177730:225439:223064,CC(c1cccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(C(=O)OC(C)(C)C)c2)c1)N1CCCC1,KAPFQLQHTJBJHH-UHFFFAOYSA-N
-rxn:5:177732:226663:223056,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,KZHDCXLCCLQHKZ-UHFFFAOYSA-N
-rxn:5:177733:223054:223113,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)c2)s1)N1CCC(O)C1,BRFUROQRXOQJAW-UHFFFAOYSA-N
-rxn:5:177734:226779:226054,Cc1cc(-c2ccc(C(=O)C(F)(F)F)cc2)c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1C(=O)OC(C)C,BGOPJLJFTDFVOZ-UHFFFAOYSA-N
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-rxn:5:177736:225978:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(N3CCOCC3)nc2F)c1,DSXIXCPFGQUYOO-UHFFFAOYSA-N
-rxn:5:177738:225394:222405,COc1cc(-c2cccc(C3NC(=O)NC3=O)c2)c(-c2cc(C3CCC3)cc(C3CC3)c2)cc1OC1CCC1,VBTXJXWCDYWCCS-UHFFFAOYSA-N
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-rxn:5:180021:226428:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(N2CCCCC2C)cs1,JLNHPYQNLDHAQV-UHFFFAOYSA-N
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-rxn:5:180022:225514:226182,COc1c(-c2cccnc2C2CCCCC2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,JVKULMYRFZDJKM-UHFFFAOYSA-N
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-rxn:5:181904:225672:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(C2OCCO2)c1C,JFNRHYPXBSETGG-UHFFFAOYSA-N
-rxn:5:181906:225683:225653,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)nc1,GTYLXXHYTFKQBR-UHFFFAOYSA-N
-rxn:5:181907:222959:225881,Cc1cc(-c2ccc(C3CCNCC3)c(C)c2)c(-c2ccc(C3CCOCC3)nc2F)c(C2OCCO2)c1,KMQNLPQIJKRALD-UHFFFAOYSA-N
-rxn:5:181907:223056:226686,Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,ILQMAKZISKMFGE-UHFFFAOYSA-N
-rxn:5:181907:223140:225805,Cc1cc(-c2ccnc(C3CCCNC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,FPQSQBGVDIDNDU-UHFFFAOYSA-N
-rxn:5:181907:226686:223062,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cnc(C3CCNCC3)cc2F)c(C2OCCO2)c1,CHIWYJFNIVZVCX-UHFFFAOYSA-N
-rxn:5:181907:227386:225832,Cc1cc(-c2cnn(C3CCCCC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,AXHWFIZKQCHLQN-UHFFFAOYSA-N
-rxn:5:181908:226686:225683,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,MWLBQUUIYCATNV-UHFFFAOYSA-N
-rxn:5:182012:222988:222998,Cc1cc(-c2ccc(-c3cc(F)cc(C4CCCNC4)c3)c(C3CCCOC3)c2)cc(C2CCNCC2)n1,WTMRYDMXSCKSJG-UHFFFAOYSA-N
-rxn:5:183189:222958:225881,Cc1ccc(-c2cc(-c3ccc(C4CCOCC4)nc3F)cc3c2OC(C)(C)OC3)cc1C1CCNCC1,XVRUHRBRKYCHIP-UHFFFAOYSA-N
-rxn:5:183189:222988:225880,Cc1cc(-c2cc(-c3cc(C4CCOCC4)ncc3F)cc3c2OC(C)(C)OC3)cc(C2CCNCC2)n1,NLKAEWCCGRBEAR-UHFFFAOYSA-N
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-rxn:5:188253:222984:225461,COC(=O)c1cc(C#N)cc(-c2ccc(CN3CCC(O)C3)cc2)c1-c1ccc(N2CCCCC2)cc1C,NWEQTIGLHZULNL-UHFFFAOYSA-N
-rxn:5:188459:225455:226366,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(N3CCCCC3)ccc2C)cc1-c1ccnc(N2CCCCC2)c1,YJPAVRMWARUZNB-UHFFFAOYSA-N
-rxn:5:188460:225514:223133,COC(=O)c1cc([N+](=O)[O-])c(-c2ccccc2N2CCNCC2)cc1-c1cccc2c1OCC1(CC1)CO2,UMKHLDDQOMJDIQ-UHFFFAOYSA-N
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-rxn:5:188930:225937:227803,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(F)(F)F)ncc2C(C)C)cc1-c1ccnn1S(=O)(=O)N(C)C,XLNCCRZXVYUXEZ-UHFFFAOYSA-N
-rxn:5:189209:225465:226199,CC(C)n1ncc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cccc(C5CCN(C)CC5)c4)c3)ccc21,NHICQRARNXNZFN-UHFFFAOYSA-N
-rxn:5:189209:226424:228706,CC1CCCN(c2csc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccnc(N(C)C)c4)c3)c2)C1,PHHLSVHNOBSTKO-UHFFFAOYSA-N
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-rxn:5:189210:226152:223309,COc1cc(C2CC2)cc(-c2cccc(-c3ccc(NC(C)C)cc3)c2C(=O)ON2C(=O)CCC2=O)c1C,UXEGIDJRRNUBDG-UHFFFAOYSA-N
-rxn:5:189210:226846:225702,COC(=O)n1c(-c2cccc(-c3ccc(C(F)(F)F)nc3OC)c2C(=O)ON2C(=O)CCC2=O)cc2ccccc21,DZXUGSZGUBYOLZ-UHFFFAOYSA-N
-rxn:5:189337:227611:222988,COc1c(-c2cc(C)nc(C3CCNCC3)c2)cc(C(=O)N(C)C)cc1-c1ccnn1C1CCCCO1,RZPXMXLMAHCHSH-UHFFFAOYSA-N
-rxn:5:189513:225868:223006,O=[N+]([O-])c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1S(=O)(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1,VNQAXEGAMILZTG-UHFFFAOYSA-N
-rxn:5:189665:225498:227592,COc1cc(F)cc(-c2cc(-c3cc(C4CCCCC4)ccc3F)cnc2OCC2CCOCC2)c1OC,BRIFARIALOCYBZ-UHFFFAOYSA-N
-rxn:5:189665:225499:227371,COc1c(C)ccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)cnc2OCC2CCOCC2)c1OC,HOVYJVPADWHVPS-UHFFFAOYSA-N
-rxn:5:189666:226211:226863,CC(=O)N1CCc2cc(-c3cc(/C=N/[S@](=O)C(C)(C)C)ccc3-c3ccc(OC(F)(F)F)cc3F)ccc21,DPRJWJKYDSHCDT-VAZMXCMMSA-N
-rxn:5:189670:226032:227309,CCC(C)c1cc(-c2ccc(-c3cc(OC)cc(C(F)(F)F)c3F)cc2/C=N/S(=O)C(C)(C)C)cc(F)n1,CSFJDBCFQHMQBW-PUHLOBNQSA-N
-rxn:5:189718:225935:228572,Cc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(C(C)C)nc(C(F)(F)F)c2)cc1C#N,GLIZTPADGYVLLL-UHFFFAOYSA-N
-rxn:5:189952:225833:227376,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,LFJDQBHPVNIHQC-UHFFFAOYSA-N
-rxn:5:189952:225834:226644,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCCC2)ncc1F,ZJWKVWCHDNMBSQ-UHFFFAOYSA-N
-rxn:5:189952:227983:226177,COc1c(-c2ccnc(C3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccccc1[Si](C)(C)C,NIZLBZSLLPKLDY-UHFFFAOYSA-N
-rxn:5:190127:222417:225784,COC1CCN(C(=O)c2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(CN3CCOCC3)nc2)CC1,LOPXBTRHZDMFKD-UHFFFAOYSA-N
-rxn:5:190131:226679:225871,COc1c(-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(=O)N2CCCCC2)cc1-c1cnc(N2CCCC2)cc1F,KGOBFLFMUHXPMJ-UHFFFAOYSA-N
-rxn:5:190194:225498:227073,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)ccc2F)cc(C2CC2)c1,BIBLIHNKMJBVNH-UHFFFAOYSA-N
-rxn:5:190194:227103:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2sccc2C2CCCCC2)cc(F)c1OC,PDYMKXFEWQYUQJ-UHFFFAOYSA-N
-rxn:5:190196:223017:222986,COC(=O)c1cccc2cc(-c3ccc(CN(C)C4CCOCC4)c(-c4cc(C)nc(C5CCCNC5)c4)c3)[nH]c12,ZYLCSPDQTLZBFK-UHFFFAOYSA-N
-rxn:5:190196:225819:223231,CNC(=O)c1ccc(-c2cc(-c3cc(C(F)(F)F)ccc3C3CC3)ccc2CN(C)C2CCOCC2)cc1C,RCJGIXYPUGBAJU-UHFFFAOYSA-N
-rxn:5:190196:226148:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc(C#C[Si](C)(C)C)c2)ccc1CN(C)C1CCOCC1,BXZRNZSSEKURPI-UHFFFAOYSA-N
-rxn:5:190197:225655:223113,CC1CCN(c2cncc(-c3cc(-c4ccc5c(c4)C(C)(C)C(=O)N5)ccc3CN(C)C3CCOCC3)c2)CC1,GMIMAQKCQVRPDB-UHFFFAOYSA-N
-rxn:5:190197:226649:226429,CC1CCCN(c2ccc(-c3ccc(CN(C)C4CCOCC4)c(-c4cccnc4N4CCOCC4)c3)s2)C1,QMANJFMUWYAQGL-UHFFFAOYSA-N
-rxn:5:190199:222417:225978,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1CN(C)C1CCOCC1,PZUIAWFGNMHVPM-UHFFFAOYSA-N
-rxn:5:190199:223113:226645,CN(Cc1cc(-c2ccnc(N3CCOCC3)c2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,KKZKXIHBNNJRGR-UHFFFAOYSA-N
-rxn:5:190199:223113:227491,CN(Cc1cc(-c2cnc(OC3CCC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,FGLRWDQIXANAOV-UHFFFAOYSA-N
-rxn:5:190200:225936:227833,CCc1cc(C)cc(C)c1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(F)(F)F)cnc2C(C)C)c1,YSJLKBZGKVSCLO-UHFFFAOYSA-N
-rxn:5:190201:226924:226422,Cc1cc(-c2ccc(-c3cc(F)ccc3N3CCCC3)c(CCN3CCOC(C)C3)c2)c(C)c(C2CC2)c1,LNLQSVBTVRAEHX-UHFFFAOYSA-N
-rxn:5:190231:226446:227956,COc1c(-c2cc(C)nc(C(C)C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C2CCOC2)nc1C,QSOFLWGVFULMSE-UHFFFAOYSA-N
-rxn:5:190231:226733:226737,COc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C(F)(F)F)c(C#N)c1,NIYQLCIMDFORBL-UHFFFAOYSA-N
-rxn:5:190335:226881:227822,COc1c(-c2c(C)cccc2C(C)C)cc(C(=O)N2CCCCC2C)cc1-c1c(F)c(F)c(OC)c(F)c1F,SDLIDZATTUTMJR-UHFFFAOYSA-N
-rxn:5:190337:227444:225880,COc1c(-c2cncc(C3CCCO3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(C2CCOCC2)ncc1F,YQIIVSSRILKFPT-UHFFFAOYSA-N
-rxn:5:190404:223004:223388,O=C(c1ccc(-c2ccc(C3CCNCC3)c(F)c2)o1)N1CCSC(c2ccccc2-c2ccc(S(=O)(=O)O)cc2)CC1,JKBXFYQVEFLEBH-UHFFFAOYSA-N
-rxn:5:190484:223142:227501,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,BXCVDSFNJINSIA-UHFFFAOYSA-N
-rxn:5:190484:223427:226848,COc1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccccc4/C=N/O)c3)CCS2(=O)=O)c(C(F)(F)F)n1,ISPJILOCDZXBSZ-ZSNJKBEMSA-N
-rxn:5:190484:225679:226446,Cc1nc(C2CCOC2)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(N4CCCCC4)cc3F)c2)CCS1(=O)=O,VPWZBJLUONQHDI-UHFFFAOYSA-N
-rxn:5:190484:227657:223146,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2cccc(C3CNCCO3)c2)S(=O)(=O)CC1,BCPZYHROTCTXMO-UHFFFAOYSA-N
-rxn:5:190582:223007:225943,CCOC(=O)n1cc(-c2cc(F)cc(C3CCNCC3)c2)c2c(-c3ccc(C(=O)N4CCOCC4)s3)cccc21,VHTKZUDXJYNSLI-UHFFFAOYSA-N
-rxn:5:190741:225655:223064,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,CBYVLCOYHUBKJQ-UHFFFAOYSA-N
-rxn:5:190742:225881:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccnc(N2CCOCC2)c1F,QBINBSWZIJHMBU-UHFFFAOYSA-N
-rxn:5:190743:225834:223064,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,HWBWRBNKXVNWNB-UHFFFAOYSA-N
-rxn:5:190743:225976:223064,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,ODHFKSMICQTMBI-UHFFFAOYSA-N
-rxn:5:190744:223056:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,CJVXBKGCQPFIAW-UHFFFAOYSA-N
-rxn:5:190744:225655:223064,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,JLIHBZBNAHZDHW-UHFFFAOYSA-N
-rxn:5:190744:225833:225982,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,NZMUXCMTQCDFTM-UHFFFAOYSA-N
-rxn:5:190832:223064:226366,CCOC(=O)c1cnc2cc(C)c(-c3ccc(C4CCNCC4)nc3F)c(C)c2c1-c1ccnc(N2CCCCC2)c1,UKUIBCWIIALLCT-UHFFFAOYSA-N
-rxn:5:190832:226664:225655,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCC4)ncc3F)c(C)c2c1-c1cncc(N2CCC(C)CC2)c1,OBZAASIFUOFOEW-UHFFFAOYSA-N
-rxn:5:190833:227811:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(CC(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,FGBAVWXDLRSPHW-UHFFFAOYSA-N
-rxn:5:190859:227920:222980,CCC(=O)c1ccc(-c2ccc3c(c2-c2ccc(CN4CCNCC4)cc2)CCN3C(=O)OC(C)(C)C)cc1,WNAJMZRBUQXSSL-UHFFFAOYSA-N
-rxn:5:190998:225834:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC1=O,ZFIIERDEENRXKO-UHFFFAOYSA-N
-rxn:5:192571:225834:225986,O=C(c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1ccccc1N1CCCS1(=O)=O)N1CCC1,TZQJPEDTENCFBU-UHFFFAOYSA-N
-rxn:5:193055:225784:225507,COC(=O)C1CCc2cc(-c3cc(-c4ccc(CN5CCOCC5)nc4)ccc3C3(C#N)CCCC3)ccc21,QAJALYLAYYJFFX-UHFFFAOYSA-N
-rxn:5:193226:223061:225976,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccnc(N3CCOCC3)c2F)c1)N1CCOCC1,KQKZCBCXKYELMX-UHFFFAOYSA-N
-rxn:5:193226:225655:223065,CC1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3-c3ccc(N4CCNCC4)cc3F)c2)CC1,JHUJZLVFYSXSTF-UHFFFAOYSA-N
-rxn:5:193226:225683:226587,Cc1nc(C2CCCOC2)ccc1-c1ccc(C(=O)N2CCOCC2)cc1-c1cnc(OC2CCC2)cc1F,TUJJMZNYECQZTN-UHFFFAOYSA-N
-rxn:5:193226:225980:226679,O=C(c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2cnc(N3CCCC3)cc2F)c1)N1CCOCC1,IBJCYJHOMXSZFF-UHFFFAOYSA-N
-rxn:5:193229:226664:225833,O=C(c1cccc(-c2cc(N3CCCC3)ncc2F)c1-c1ccnc(N2CCCCC2)c1F)N1CCOCC1,NYHVMZVDDMDMPB-UHFFFAOYSA-N
-rxn:5:193230:228214:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CC3)cc2F)ccc1C(=O)N1CCOCC1,XYANCOLTQLKPFL-UHFFFAOYSA-N
-rxn:5:193331:225803:223113,CC1(C)C(=O)Nc2ccc(-c3cc(-c4ccnc(OC5CCOCC5)c4)ccc3CN3CCOCC3)cc21,SWFIDRLQSQUHBM-UHFFFAOYSA-N
-rxn:5:193333:226779:223065,O=C(c1ccc(-c2ccc(CN3CCOCC3)cc2-c2ccc(N3CCNCC3)cc2F)cc1)C(F)(F)F,ZRLYXYWJDOXXAA-UHFFFAOYSA-N
-rxn:5:193382:223147:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(C4CNCCO4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1,GVBRACOMEJSLAN-UHFFFAOYSA-N
-rxn:5:193382:223149:223054,CCOc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,CVUUBQNRYOKVDB-UHFFFAOYSA-N
-rxn:5:193382:225805:228211,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCCC4)cs3)c2)s1)N1CCOCC1,OAZDNRKJAKDBPK-UHFFFAOYSA-N
-rxn:5:193382:225834:226366,O=S(=O)(c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,YKPKCTLOJPROCT-UHFFFAOYSA-N
-rxn:5:193382:226733:226749,COc1cccc(C(F)(F)F)c1-c1cc(-c2ccc(S(=O)(=O)N(C)C)cc2)ccc1S(=O)(=O)N1CCOCC1,ZYKFYGNBILGPFW-UHFFFAOYSA-N
-rxn:5:193382:227684:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2cnn(CC3OCCO3)c2)ccc1S(=O)(=O)N1CCOCC1,WLJOBHHCUYEMTF-UHFFFAOYSA-N
-rxn:5:193461:227415:223056,CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)c(F)n1,DEJPMDWQRBGWJG-UHFFFAOYSA-N
-rxn:5:193464:227025:225985,CCc1ncc(C2CC2)cc1-c1ccc(C2(C#N)CCCCC2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,FUFAKYBRXRSVJW-UHFFFAOYSA-N
-rxn:5:193465:226710:226664,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(N3CCCC3)ncc2F)c1-c1ccc(F)c([Si](C)(C)C)c1F,MTKPENQQJMUBSK-IBGZPJMESA-N
-rxn:5:193465:226850:225935,COc1cc(-c2c(C(=O)N3CCC[C@@H]3C)cccc2-c2cc(C(C)C)nc(C(F)(F)F)c2)cc(C(F)(F)F)n1,GMDGVDHCJIAXLC-INIZCTEOSA-N
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-rxn:5:193972:227961:227375,Cc1cc(-c2ccc(C3CC3)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC2)nc1,MUIZBENQNDOUEM-UHFFFAOYSA-N
-rxn:5:193972:228137:226158,CCOc1ncc(-c2cc(C)c(-c3ccccc3N3CCCCC3)cc2S(=O)(=O)N2CCCCCC2)cc1C,FTOKSOQNUWFHTF-UHFFFAOYSA-N
-rxn:5:193972:228556:225655,COCc1ccc(-c2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1,ATFLSSJLIADDEA-UHFFFAOYSA-N
-rxn:5:193972:228574:226382,Cc1ccc(-c2cc(C)c(-c3cnc(C4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(C#N)c1,OXRDTTLADXMCCQ-UHFFFAOYSA-N
-rxn:5:193972:228577:225631,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,SJTKWALVVPSIOM-UHFFFAOYSA-N
-rxn:5:193972:228648:227390,Cc1cc(C)c(F)c(-c2cc(C)c(-c3ccnn3C3CCCCC3)cc2S(=O)(=O)N2CCCCCC2)c1,UDJCPTDDLUMKPC-UHFFFAOYSA-N
-rxn:5:193972:228681:227413,Cc1cc(-c2ccnn2CC2CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C2CCC2)cc1F,DZDKTURTANICQP-UHFFFAOYSA-N
-rxn:5:193972:228818:226323,Cc1cc(-c2cc(C)c(=O)n(C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(OC2CCCC2)nc1,KCJKYATVDSEAOY-UHFFFAOYSA-N
-rxn:5:194058:223054:222980,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCC(O)C1,AMCNKIGFYBTJGC-UHFFFAOYSA-M
-rxn:5:194058:223054:225456,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C3CCN(C)CC3)cc2)s1)N1CCC(O)C1,HHXZHPCVLABHKJ-UHFFFAOYSA-M
-rxn:5:194058:223054:225464,CC1CCCN(c2cccc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)c2)C1,KHOYOQGHCLFXLG-UHFFFAOYSA-M
-rxn:5:194058:225469:225805,CC1CCCN(c2ccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCOCC4)s3)cc2)C1,DXUMGDKHXVARRR-UHFFFAOYSA-M
-rxn:5:194058:225607:225653,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3C)nc2)s1)N1CCCCC1,WWVWETPIVSUJET-UHFFFAOYSA-M
-rxn:5:194058:225652:225805,CC1CCCN(c2cncc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCOCC4)s3)c2)C1,VKFSAHVSZMVIQA-UHFFFAOYSA-M
-rxn:5:194058:226424:223054,CC1CCCN(c2csc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)c2)C1,KZCZRHXBJLMTAH-UHFFFAOYSA-M
-rxn:5:194398:222984:223288,CNS(=O)(=O)c1cccc(-c2cc(-c3ccc(CN4CCC(O)C4)cc3)ccc2C(=O)N2CC3CC3C2)c1,SMFXTCFQSKFUAN-UHFFFAOYSA-N
-rxn:5:194575:225931:226664,Cc1cc(-c2ccccc2S(=O)(=O)N2CCc3sc(-c4cc(N5CCCC5)ncc4F)cc3C2)cc(S(=O)(=O)N(C)C)c1,CSYALXNGNYKCNY-UHFFFAOYSA-N
-rxn:5:194575:226364:225656,CC1CCCCN1c1cncc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(N4CCCCC4)nc2)C3)c1,QKECMZCINUOFBM-UHFFFAOYSA-N
-rxn:5:194688:226644:225980,COc1cc(-c2cc(N3CCOCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3cncc(N4CCOCC4)c3)cc1)C2,JXAGJQYUDBSCQW-UHFFFAOYSA-N
-rxn:5:194733:227145:222994,COc1cccc2sc(-c3ccc(-c4cccc(N5CCC(O)CC5)c4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cc12,YJKLVTPTYUOTLV-UHFFFAOYSA-N
-rxn:5:194733:229162:223001,COc1cnc(-c2ccc(-c3cc(C4CCCNC4)ccc3F)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cn1,NOALOJGMBBYUGN-UHFFFAOYSA-N
-rxn:5:194767:228703:226395,O=C1OC2(CCCN(C(=O)c3cc(-c4cnn(C5CCC5)c4)ccc3-c3cncc(N4CCCCC4)c3)C2)c2ccccc21,DHRDSZKBEGKKJX-UHFFFAOYSA-N
-rxn:5:194792:225591:228592,CC(C)c1cncc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cc(CN7CCCC7)ccc6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1,QFTLZCJHPINGKB-UHFFFAOYSA-N
-rxn:5:194792:227913:226136,Cc1cc(C#N)c(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(OC(C)C)cc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1C1CC1,GPYPVPGHBCERRZ-UHFFFAOYSA-N
-rxn:5:196533:226175:225849,Cc1cc(N2CCCC2)ccc1-c1ccc(N2C(=O)CC(c3cnc(N4CCCCC4)cc3F)C2=O)cc1,KMUDIVREJYPJBA-UHFFFAOYSA-N
-rxn:5:196670:225832:225884,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2ccc(C3COCCO3)c(F)c2)c1C1CCCC1,FRENUEVJOPJNCB-UHFFFAOYSA-N
-rxn:5:196791:223061:226583,O=C1COCCN1c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1ccc(CN2CCOCC2)s1,YZRRKXBPXIHAGL-UHFFFAOYSA-N
-rxn:5:196794:223113:225803,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(N4CCOCC4=O)c3)cc21,PBMPLEAGGKTZAG-UHFFFAOYSA-N
-rxn:5:196858:225684:222988,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCNCC2)n1,DLWCZANYXWPWRR-UHFFFAOYSA-N
-rxn:5:196858:226652:222998,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cc(F)cc(C3CCCNC3)c2)n(C2CCCCO2)n1,DMKDYOFSULQVPE-UHFFFAOYSA-N
-rxn:5:196858:226686:222957,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2c(C)cnn2C2CCCCO2)cc(C2CCCNC2)c1,DDQQJOGSMXZWNG-UHFFFAOYSA-N
-rxn:5:196859:222986:223008,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2cc(C3CCNCC3)ccc2F)cc(C2CCCNC2)n1,IZRWAENIXZOWOR-UHFFFAOYSA-N
-rxn:5:196859:225832:227390,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccnn1C1CCCCC1,OYBWCUFPBQKCLK-UHFFFAOYSA-N
-rxn:5:196969:222986:226686,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2c(C)cnn2C2CCCCO2)cc(C2CCCNC2)n1,WCGBIZZPEUNFIY-UHFFFAOYSA-N
-rxn:5:196969:226176:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccncc1C1CCCCC1,COXVZZABHWFVIG-UHFFFAOYSA-N
-rxn:5:196970:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(C2CCCCCC2)cc1,ISRONIQZPJGZMS-UHFFFAOYSA-N
-rxn:5:196971:225832:227386,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCC3)c2)c(C2CCCCC2)cn1,RNCLJNPVRBEUHF-UHFFFAOYSA-N
-rxn:5:196971:225985:225465,CN1CCC(c2cccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ncc3C3CCCCC3)c2)CC1,MSZNWXKDALZOHM-UHFFFAOYSA-N
-rxn:5:196971:226686:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2c(C)cnn2C2CCCCO2)c(C2CCCCC2)cn1,VIFUNWKTXXJWCK-UHFFFAOYSA-N
-rxn:5:196978:225441:225985,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(N2CCCCC2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,XXFTYPHAMOGTBY-UHFFFAOYSA-N
-rxn:5:196978:225832:223134,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2cnccc2C2CCCNC2)c1,MUCXSRDCZOUAID-UHFFFAOYSA-N
-rxn:5:197526:226441:223063,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(N3CCCC3)cc1F)c2-c1cc(F)nc(C2CCNCC2)c1,IWVXUFCNCIQYNW-UHFFFAOYSA-N
-rxn:5:197876:227907:226062,CCC(C)c1cncc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UWDWMRALJBAHMZ-UHFFFAOYSA-N
-rxn:5:197876:228184:226035,COc1ccc(-c2cc3c(cc2-c2c(OC)ccc(C(F)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1SC,OISKOZPURVIYHL-UHFFFAOYSA-N
-rxn:5:197884:225453:225823,Cc1ccc(N2C(=O)c3ccc(-c4cc(C(C)C)cc(C(F)(F)F)c4)cc3C2=O)cc1-c1cccc(SC2CCCCC2)c1,ROGPWZYSPKUHDJ-UHFFFAOYSA-N
-rxn:5:199129:225677:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCC3)nc2F)cc2c1OCCN=C2,WBXYAFWKGGHHCE-UHFFFAOYSA-N
-rxn:5:222985:182011:222958,Cc1ccc(-c2cc(C3CCOCC3)ccc2-c2ccc(C3CCCNC3)nc2C)cc1C1CCNCC1,VRMSRNFCKDBRDE-UHFFFAOYSA-N
-rxn:5:225454:193972:229224,CCn1nccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(C3=CCN(C)CC3)cc2)cc1C,FMDSIGVFSCEAHO-UHFFFAOYSA-N
-rxn:5:225461:194058:223054,Cc1cc(N2CCCCC2)ccc1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,YLQXVTALRUNHMG-UHFFFAOYSA-M
-rxn:5:225498:178467:227979,CCOC(=O)C1=Cc2cc(-c3c(C)cc(C)cc3OC)cc(-c3cc(C4CCCCC4)ccc3F)c2OC1,WFLVKYMOQUSOHK-UHFFFAOYSA-N
-rxn:5:225679:179629:225636,COc1ccc(-c2ccc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccnc(N2CCC(C)CC2)c1,FUNHQZPFHCUXFL-UHFFFAOYSA-N
-rxn:5:225679:193506:229080,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2cnc(C3CC3)s2)CC1,WINXPFHTTHDKGR-UHFFFAOYSA-N
-rxn:5:225794:193464:227710,CS(=O)(=O)Oc1ccc(-c2cc(-c3cnc(OC4CCCCC4)nc3)ccc2C2(C#N)CCCCC2)cc1,QWTCXAFGBFPRRZ-UHFFFAOYSA-N
-rxn:5:225805:183189:223134,CC(c1ccc(-c2cc(-c3cnccc3C3CCCNC3)cc3c2OC(C)(C)OC3)s1)N1CCOCC1,UMWSZAKGGSACCL-UHFFFAOYSA-N
-rxn:5:225832:182010:226176,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)ccc1C1CCOCC1,FTJHSKYSXJAGIY-UHFFFAOYSA-N
-rxn:5:225832:182011:222998,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1cc(F)cc(C2CCCNC2)c1,PZZLOGQRJMMOBJ-UHFFFAOYSA-N
-rxn:5:225832:183189:223141,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cncc(C3CCNCC3)c2)cc2c1OC(C)(C)OC2,ZXAJNFYPKCOZFH-UHFFFAOYSA-N
-rxn:5:225832:196970:226452,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccc(C2OCCCO2)cc1,HZKYKDGFOALJQW-UHFFFAOYSA-N
-rxn:5:225833:193506:228631,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2-c2ccsc2C2CCC2)CC1,KAGHDSPCMFVTFU-UHFFFAOYSA-N
-rxn:5:225833:193870:228722,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(C#N)c2C)cc1-c1ccnc(N2CCCCC2)c1F,NSSPCZUPSLHHQB-UHFFFAOYSA-N
-rxn:5:225834:179629:222989,COc1ccc(-c2cc(N3CCCCC3)ncc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCNCC2)cc1C,RMFJWFFEAHIZEH-UHFFFAOYSA-N
-rxn:5:225834:193506:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)ncc3F)cc2-c2csc(C3CC3)n2)CC1,DTDBZGPYBNYUKD-UHFFFAOYSA-N
-rxn:5:225849:179629:222989,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCNCC2)cc1C,QLJBAVMSZULYBU-UHFFFAOYSA-N
-rxn:5:225849:179629:223065,COc1ccc(-c2cnc(N3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(N2CCNCC2)cc1F,HVYZLFORGAEZJM-UHFFFAOYSA-N
-rxn:5:225849:193506:229079,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2csc(C3CC3)n2)CC1,MUWAFDGUDWBVCC-UHFFFAOYSA-N
-rxn:5:225886:193866:226059,CC(C)c1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c(C(C)C)c1,KMONTIFXVYUXDM-UHFFFAOYSA-N
-rxn:5:225982:193506:229011,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2-c2ccc(C3CC3)s2)CC1,WXLGJSJJNDFSGU-UHFFFAOYSA-N
-rxn:5:225985:196917:226183,CC1(C)COC(c2cc(-c3cnccc3C3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,WDRPBMHOHKIZFQ-UHFFFAOYSA-N
-rxn:5:225985:196971:225456,CN1CCC(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)ncc3C3CCCCC3)cc2)CC1,UGJYZDPEUNJRIN-UHFFFAOYSA-N
-rxn:5:226058:178295:227901,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,ONGLEXLZRUCNMN-UHFFFAOYSA-N
-rxn:5:226058:178295:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,DXKGBTFTBNDNNP-UHFFFAOYSA-N
-rxn:5:226058:190484:227415,CC(C)c1cccc(C(C)C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C)nc3F)S(=O)(=O)CC2)c1,KXESTDFPNNJJSN-UHFFFAOYSA-N
-rxn:5:226059:178295:227907,CCC(C)c1cncc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZXQOBVGZWNWFTK-UHFFFAOYSA-N
-rxn:5:226062:178295:223398,CNCc1ccc(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,MKSPDLZBILVLLG-UHFFFAOYSA-N
-rxn:5:226067:178295:223421,CNC(C)c1ccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,YAVSNKSQEAZKNU-UHFFFAOYSA-N
-rxn:5:226068:178295:228800,COC(=O)C1(c2cc(-c3cc(F)ccc3SC)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,NCAPXLZIKQRVTI-UHFFFAOYSA-N
-rxn:5:226069:178295:227910,CCC(C)c1ccc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,DTGYSBGPQLAADC-UHFFFAOYSA-N
-rxn:5:226084:178295:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,PYYOXHNUZQBTDN-UHFFFAOYSA-N
-rxn:5:226085:178295:228556,COCc1ccc(-c2ccc(-c3ccc4c(c3)CCC(C)(C)O4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,FKUOXIUMHFRZPB-UHFFFAOYSA-N
-rxn:5:226140:178295:228918,COC(=O)C1(c2cc(-c3cnccc3C(F)F)ccc2-c2cc(C(C)(C)C)ccc2OC)CCC(=O)CC1,JJTXRTUOOPAVFP-UHFFFAOYSA-N
-rxn:5:226144:178295:228622,CCc1cc(F)ccc1-c1ccc(-c2ccc(C#C[Si](C)(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,BXJRAUZTTCKURC-UHFFFAOYSA-N
-rxn:5:226154:178295:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,IRAJQZDWSNCEQI-UHFFFAOYSA-N
-rxn:5:226154:178295:228789,COC(=O)C1(c2cc(-c3ccc(F)cc3OC)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,DHDCXGJRQCGHOA-UHFFFAOYSA-N
-rxn:5:226183:180022:225880,COc1c(-c2cc(C3CCOCC3)ncc2F)ccc(-c2cnccc2C2CCCCC2)c1C1OCCO1,BZVOYRCHXRIYGW-UHFFFAOYSA-N
-rxn:5:226189:189212:228490,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(S(=O)(=O)F)c2)c(-c2ccc(C3CCCC3)c(F)c2)c1,MXRHDSYXICJMEB-UHFFFAOYSA-N
-rxn:5:226191:178295:227941,COCc1cc(C)cc(-c2ccc(-c3cc(C4CCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,CHJZMASAUXCMRM-UHFFFAOYSA-N
-rxn:5:226191:178295:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C3CCCC3)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,NUKSUTOCDPSZGQ-UHFFFAOYSA-N
-rxn:5:226324:180022:223063,COc1c(-c2cc(F)nc(C3CCNCC3)c2)ccc(-c2cccnc2OC2CCCC2)c1C1OCCO1,NTTBTYIYOZSEED-UHFFFAOYSA-N
-rxn:5:226395:193972:228572,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)cc1C#N,NGVWUORJYFOSGQ-UHFFFAOYSA-N
-rxn:5:226395:193972:228575,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCCC4)c3)cc2C)ccc1C#N,WQANCRKDZXHWGS-UHFFFAOYSA-N
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-rxn:5:226579:178295:228765,CCc1cc(F)c(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,OGAKMXJNNREVMW-UHFFFAOYSA-N
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-rxn:5:227057:190194:226150,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCC3)c2)c1C1CC1,MMSUYXJSKDNRJJ-UHFFFAOYSA-N
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-rxn:5:227371:178225:225677,COc1c(C)ccc(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3CCCCC3)nc2F)c1OC,WHTCRBBDXPTDIJ-UHFFFAOYSA-N
-rxn:5:227371:178295:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2ccc(C)c(OC)c2OC)CCC(=O)CC1,NXMGHWNOEOSLAN-UHFFFAOYSA-N
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-rxn:5:227409:190484:227409,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c(F)cn1,SCLAHCCBGDHGGF-UHFFFAOYSA-N
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-rxn:5:227808:178295:227353,COC(=O)C1(c2cc(-c3c(C)cc(OC)cc3OC)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,ZHNSQEGEZMEOJF-UHFFFAOYSA-N
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-rxn:5:227935:178295:227568,CCc1cc(-c2ccc(-c3c(F)cc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,NYJJLNUCFSQSPC-UHFFFAOYSA-N
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-rxn:5:228214:193506:227656,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2-c2cc(N3CCOCC3)cs2)CC1,WARCSDCJXWMSKQ-UHFFFAOYSA-N
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-rxn:5:228223:193506:223133,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)nc3F)cc2-c2ccccc2N2CCNCC2)CC1,QMBDHULBYLASAW-UHFFFAOYSA-N
-rxn:5:228234:193506:226411,O=C1CCN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2-c2ccc(N3CCOCC3)cc2)CC1,DTEDHACCEZUCMQ-UHFFFAOYSA-N
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-rxn:4:173508:222742,COc1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)ccc1OCCOC1CCCCO1,YFDBZJIQHKFSFZ-UHFFFAOYSA-N
-rxn:4:173525:223568,COC(=O)C(CC(=O)c1cccc(C)c1)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc1,OHOYJPQUCPAIFI-UHFFFAOYSA-N
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-rxn:4:173577:222636,COc1ccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1COC(=O)c1ccc(C(C)(C)C)cc1,STJIBOBKXDFTTO-OAQYLSRUSA-N
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-rxn:4:175933:224127,CCN1CCN(C(C)c2ccc(-c3ccc(C4(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,CWHQOXGAFXOQGF-UHFFFAOYSA-N
-rxn:4:176101:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1c(F)cc(CO[Si](C)(C)C(C)(C)C)cc1F,BBBFZECPJSTKKD-UHFFFAOYSA-N
-rxn:4:176140:224877,CC(F)(F)c1cc(-c2ccc(COC3CCCCC3)cc2)ccc1OCC1CCCCC1,NZGJCARROUXLEB-UHFFFAOYSA-N
-rxn:4:176195:222540,COC(=O)c1c(C)oc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c(OC(C)=O)cc12,JGIDECSFUDVNIT-UHFFFAOYSA-N
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-rxn:4:176308:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,BRYWZLHRKWKDLL-UHFFFAOYSA-N
-rxn:4:176322:227239,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(CC(=O)OC)cc2)C(C)(C)CC1(CC)CC,ZUNXVTAFOXSTMF-UHFFFAOYSA-N
-rxn:4:177024:223559,CC(=O)CCc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1F,KHYZSCXWJVURRM-UHFFFAOYSA-N
-rxn:4:177105:223507,COC(=O)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C,AROUUPXMUHRDFV-UHFFFAOYSA-N
-rxn:4:177232:223521,CCS(=O)(=O)c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)F)c1,YDSFCNXSPMPAMQ-UHFFFAOYSA-N
-rxn:4:177245:223542,CC(C)COc1ccccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,BJUUVSAQEYNGLJ-UHFFFAOYSA-N
-rxn:4:177360:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3c(C)cccc3OCC(C)(F)F)cc2)C1,HQFMPDBSRYZGFZ-UHFFFAOYSA-N
-rxn:4:177977:223928,COC(=O)C1(C)OC1(C)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,IMMRRMVPIQZJIX-UHFFFAOYSA-N
-rxn:4:178254:223926,O=S(=O)(CC1CCOCC1)c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1,UOVOJBAIGMBHKC-UHFFFAOYSA-N
-rxn:4:178295:222906,COC(=O)C1(c2cc(Cl)ccc2-c2cnccc2NC(=O)OC(C)(C)C)CCC(=O)CC1,INVKRMJVSNMANO-UHFFFAOYSA-N
-rxn:4:178384:223066,COC(=O)c1n[nH]c2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)ccc12,LBETYQAPSAQKOK-UHFFFAOYSA-N
-rxn:4:178384:226265,COCCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1C,ONCLCTLMKQTVBG-UHFFFAOYSA-N
-rxn:4:178384:226927,Cc1c(C)c(C)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1C,DDXFBNXWQMIUJK-UHFFFAOYSA-N
-rxn:4:178384:227150,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc2cnn(C)c12,RNQBDPHUILFLCE-UHFFFAOYSA-N
-rxn:4:178384:228188,CCOc1c(Cl)cccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,PBZIUXGJNIOJHZ-UHFFFAOYSA-N
-rxn:4:178384:228923,CSc1ccnc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,BHUUGGJIHIEQEO-UHFFFAOYSA-N
-rxn:4:178506:223671,CCOC(=O)C1CCc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C1,IMHKZZZTUUEGML-UHFFFAOYSA-N
-rxn:4:178588:222947,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3cnc(N4CCCC(O)C4)nc3Cl)ccc2C1,MSEAPZPUMKPGOL-UHFFFAOYSA-N
-rxn:4:178597:225969,Cn1ncc(-c2cccc(F)n2)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,ZKJQRFNEDOTWPP-UHFFFAOYSA-N
-rxn:4:178598:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2cccc(C3OC4CCCCC4c4cc(OC)c(OC)cc43)c2)c1,PEODUSNGMMAGHA-UHFFFAOYSA-N
-rxn:4:178747:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cccc(OC(F)=C(F)F)c3)c2)CC1,KAGGHACOGULFDY-UHFFFAOYSA-N
-rxn:4:178926:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(F)F)cc(C(F)F)c3)cc21,FGXCPTOGRHDDSJ-UHFFFAOYSA-N
-rxn:4:179628:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccccc3C3(C(F)(F)F)CC3)cn2)CC1,DJWMHSCELUVPKK-UHFFFAOYSA-N
-rxn:4:179967:223521,Cc1ccc(CC2CC2)cc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,IHFZIMTWGUHMEL-UHFFFAOYSA-N
-rxn:4:180264:223608,Cc1cccc(OC(C)(C)C)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,KEEHEUVJJCCNDD-UHFFFAOYSA-N
-rxn:4:180430:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3ccc(S(=O)(=O)C4CCCCC4)cc3)ccc21,FBJFZJCYGTYYLJ-UHFFFAOYSA-N
-rxn:4:180455:222389,Cc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1OC1CCCCC1,RGRUONAFSRBQPO-UHFFFAOYSA-N
-rxn:4:180509:225804,COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(-c2ccc(C(=O)N3CCC3)c(F)c2)c1,ORRMXQRLBAECNV-UHFFFAOYSA-N
-rxn:4:180679:223582,COC(=O)c1ccc2cc(-c3ccc4c(c3)C(=O)CC(C(=O)OC)O4)n(C(=O)OC(C)(C)C)c2c1,CFTTXNSCDYYZEQ-UHFFFAOYSA-N
-rxn:4:180724:224720,COC(=O)C1(C)Cc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc2C(=O)O1,CVAAGIRLWRZHRY-UHFFFAOYSA-N
-rxn:4:180792:224175,CCOC1CCC2(CC1)Cc1ccc(-c3cc(OC)ccc3C(=O)OCC(C)(C)C)cc1C2=O,CQLWHLBEXGRFPZ-UHFFFAOYSA-N
-rxn:4:180792:224608,CCOC1CCC2(CC1)Cc1ccc(-c3cc(OCC4CC4)cc(C(=O)OC)c3)cc1C2=O,ULEMZYVLHGMFOA-UHFFFAOYSA-N
-rxn:4:180792:224662,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3CN3CCN(C)CC3)cc1C2=O,KMOXEJHPHHVBGF-UHFFFAOYSA-N
-rxn:4:180815:223813,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,HRCFJMSANBXHJL-UHFFFAOYSA-N
-rxn:4:181463:223500,CSc1c(F)ccc(C)c1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,PXAFCENMADTNSQ-UHFFFAOYSA-N
-rxn:4:182374:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C,PCMPURPZKWZLPJ-UHFFFAOYSA-N
-rxn:4:182416:223494,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc1,AXSGFCHIFJUGOP-UHFFFAOYSA-N
-rxn:4:183272:227101,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(Cl)cc1C1CC1,AISXACNTQMEFBE-UHFFFAOYSA-N
-rxn:4:183273:223239,c1cc2c(cc1-c1cncc(C3CCCN3)c1)OCCOCCOCCOCCOCCOCCO2,OCFSWGUFZUQAOA-UHFFFAOYSA-N
-rxn:4:183510:223885,CCOC(=O)Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(C(F)F)cc1C#N,VHFPMBLOAGCHNS-UHFFFAOYSA-N
-rxn:4:183585:224406,COC(=O)C(C(=O)OC)c1cc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1[N+](=O)[O-],YKUQXNSEVTVJNM-UHFFFAOYSA-N
-rxn:4:183783:224420,Cc1cc2c(cc1-c1ccc(N(C)CCC(=O)OC(C)(C)C)cc1)C(C)(C)CCC2(C)C,WIRUDMUMKQZCIC-UHFFFAOYSA-N
-rxn:4:183818:223482,CC(C)(C)OC(=O)N(Cc1ccccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1)C1CC1,RQYDOGJWHRPVJM-UHFFFAOYSA-N
-rxn:4:183872:222623,CCC(C)c1cc(-c2ccc(C(=O)N3CCCCC3)c(OCCOC)c2)cc(C2CCNCC2)n1,ZKRUJJSFBVBRSH-UHFFFAOYSA-N
-rxn:4:183873:225548,CCOC(=O)c1ccc(CC)cc1-c1cc(OCCN2CCCCC2)cc(C(=O)OC)c1,JORLPAZCPLYEDN-UHFFFAOYSA-N
-rxn:4:183893:226844,O=C(c1cc(-c2cccc(F)c2OCCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,GAIMYFXOXJHEAU-UHFFFAOYSA-N
-rxn:4:183909:223098,COc1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(S(=O)(=O)NC(C)=O)cc1,XHKHFDYPKCNCCQ-UHFFFAOYSA-N
-rxn:4:183970:223108,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(CNCC(C)C)cc3)ccc2OC)CC1,WYULXIHXZHKAAC-UHFFFAOYSA-N
-rxn:4:183994:225547,CCCCOc1cc(F)c(C)cc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)cc1,OQDODJWOSDPXTE-UHFFFAOYSA-N
-rxn:4:184017:226310,CC(C)COc1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,PMMHXNXSYRNAIK-UHFFFAOYSA-N
-rxn:4:184027:226102,CN(Cc1ccccc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1)C1CC1,LYLWMHQJZXWUKE-UHFFFAOYSA-N
-rxn:4:184032:225233,CC1CCCN(c2cc(-c3cc(F)cc(OCC4CCCCN4C(=O)OC(C)(C)C)c3)cnc2Cl)C1,NCBCKBBVISURPP-UHFFFAOYSA-N
-rxn:4:184053:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)cc1,QRFXUCZKQPSVNN-UHFFFAOYSA-N
-rxn:4:184065:223837,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)cc1)C1CCCCC1,RJZKWRIHZUOHDY-UHFFFAOYSA-N
-rxn:4:184084:226896,COCn1cc(-c2c(C)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)n1,KUGBDURURWVXEJ-UHFFFAOYSA-N
-rxn:4:184099:228509,CC(C)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,YGQSFISLHYQIOT-UHFFFAOYSA-N
-rxn:4:184158:225743,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(CC(=O)OC)ccc3OC)cc1)C2=O,WOBDKESUHUQTIF-UHFFFAOYSA-N
-rxn:4:184164:224658,COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4ccc(N5CCN(C(C)=O)CC5)cc4)cc3)cc12,USZZHXRJUIAVEB-UHFFFAOYSA-N
-rxn:4:184178:224172,CCCCOc1cccc2c1CCN(Cc1ccc(-c3cccc(CN(C)C(=O)OC(C)(C)C)c3)cc1)C2=O,ZWPPSNMZUNEZOL-UHFFFAOYSA-N
-rxn:4:184183:222654,COc1ccc(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1CCC(=O)N1C2CCC1CC(SC)C2,QCFOOEGYPLOBQK-UHFFFAOYSA-N
-rxn:4:184216:226126,COCc1cc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)ccc1C1CC1,IAKMGZIQHKIZDD-UHFFFAOYSA-N
-rxn:4:184312:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc([N+](=O)[O-])c2OC(C(F)(F)F)C(F)(F)F)c(Cl)c1,WSAUKWLYHIZUKX-UHFFFAOYSA-N
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-rxn:4:185038:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(OCC4CCN(CC(F)F)CC4)cc3)cc2F)C1,QSDHUEHXVDMVLG-UHFFFAOYSA-N
-rxn:4:185110:226722,COC(=O)c1cc(-c2ccc(CN3CCC(OC)CC3)c(OC(F)(F)F)c2)cnc1OC,LTGUXBOOUJEHMO-UHFFFAOYSA-N
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-rxn:4:185200:223740,COC(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc3ccccc23)c(CN2CCC(OC)CC2)c1,YBTIPGDETAMSSC-UHFFFAOYSA-N
-rxn:4:185264:224667,CN1CCN(Cc2cc(-c3ccc(C4CN(CC(=O)OC(C)(C)C)C(=O)CO4)cc3)ccc2Cl)CC1,HKKBLNFPGXJUEN-UHFFFAOYSA-N
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-rxn:4:185332:222845,CCc1ccccc1N(C(=O)c1ccc(-c2ccc(C(C)N3CCNCC3)cc2)cc1)C1C=CS(=O)(=O)C1,OIKRHUMFSMXDHJ-UHFFFAOYSA-N
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-rxn:4:185434:224170,COc1cc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,HEPZUZQCWNLEQN-UHFFFAOYSA-N
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-rxn:4:185574:224588,COc1cc(CN2CCc3c(cccc3-c3cc(F)cc(CN4CCC(C)CC4)c3)C2)cc(OC)c1OC,BVKHBUKYDGVVLP-UHFFFAOYSA-N
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-rxn:4:185690:223638,CCOC(=O)c1nc(C(F)(F)F)sc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,ISEHIADJCNGOQD-UHFFFAOYSA-N
-rxn:4:186543:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2C(F)(F)F)cn1,GZQFOBTXIIBCOY-UHFFFAOYSA-N
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-rxn:4:186855:223788,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,DFQONWQRAUEJTA-UHFFFAOYSA-N
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-rxn:4:186997:222524,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1CN1CCC(F)(F)C1,STUYGLUOERLILZ-UHFFFAOYSA-N
-rxn:4:187000:224890,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCCC4)c3)cc2)C1,CQWRKXNJFCTWPL-UHFFFAOYSA-N
-rxn:4:187003:224650,O=C(COc1ccc(-c2cc(F)ccc2OCC2CCOCC2)cc1)N1CCCC(F)(F)C1,FOLDPPZVSKOPBZ-UHFFFAOYSA-N
-rxn:4:187031:222614,CC(C)N(C(=O)c1ccccc1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F)C(C)C,FJGRDRJHDJWGJF-UHFFFAOYSA-N
-rxn:4:187092:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cc(CN4CCC(F)(F)CC4)ccc3OC(F)(F)F)ccc21,YELKROCOCQZUFP-UHFFFAOYSA-N
-rxn:4:187117:224847,C#Cc1ccc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)cc1N1CCC(C(=O)OC)CC1,COXNWLDUXJRYEY-UHFFFAOYSA-N
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-rxn:4:187277:222629,COc1nc(C)c(CC2CC2)c(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)c1C(C)C,WPGJGFYMALGXLU-UHFFFAOYSA-N
-rxn:4:187290:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1OCCN1CCC(C)CC1,OOWIHNOUQCBNTA-UHFFFAOYSA-N
-rxn:4:187315:224198,CCOc1ccc(CN2CCC(F)(F)CC2)cc1-c1ccc(CN2CCN(CC)CC2)cc1F,SNFAWMSTJPSNNX-UHFFFAOYSA-N
-rxn:4:187328:223166,CC(C)(C)OC(=O)N1C(c2ccc(-c3ccc(N4CCNCC4)nc3)cc2)COS1(=O)=O,QLWAFBIKCXPMPT-UHFFFAOYSA-N
-rxn:4:187340:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(=O)c4cccc(CN5CC=CC5)c4)cc3F)cc2)CC1,CNYBSVCTRYXZHS-UHFFFAOYSA-N
-rxn:4:187384:222724,CC(C)(C)OC(=O)N1CCC(=O)C1c1cccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1,HJPLYEYRVSVCBQ-UHFFFAOYSA-N
-rxn:4:187405:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(OCC(=O)N3CCC(C)CC3)cc2C)c1,XGMJJLGRWSNFMY-UHFFFAOYSA-N
-rxn:4:187418:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1,IBLJRXQVFORSCY-UHFFFAOYSA-N
-rxn:4:187435:224846,CCC1CCC(c2ccc(-c3cc(C)cc(CN4CCC(C(=O)OC)CC4)c3)cc2)CC1,UIDNREMNDLMVLD-UHFFFAOYSA-N
-rxn:4:187438:222905,Cc1cc(-c2cccnc2NC(=O)OC(C)(C)C)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,QURLEZNEHWIRRT-UHFFFAOYSA-N
-rxn:4:187447:222498,Cc1ccc(S(=O)(=O)NCc2ccccc2)c(-c2ccccc2CCC(=O)N2CCC3(CC2)CC3(F)F)c1,YFYHRRYWJHXBEJ-UHFFFAOYSA-N
-rxn:4:187483:224818,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(OC)c1,HXLCGPMCYRAWEN-UHFFFAOYSA-N
-rxn:4:187492:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c(F)ccc21,KXWATHRKJSJTEE-UHFFFAOYSA-N
-rxn:4:187500:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(OC)c(C(=O)N2CCCCC2C)c(OC)c1,RRFGNPCHVRBNMK-UHFFFAOYSA-N
-rxn:4:187541:224592,CC(C)Oc1cc(OC2CCN(C)CC2)ccc1-c1cc(C2(C#N)CCCCC2)ccc1F,DWCVZQPKHYZVJN-UHFFFAOYSA-N
-rxn:4:187542:224885,COc1cc(-c2ccccc2CN2CCC(C)CC2)cc(OC)c1CN1CCC(C)CC1,KHEBLPUCTQYOMR-UHFFFAOYSA-N
-rxn:4:187543:225200,COc1cc(-c2ccc(F)c(OC3CCCC3)c2F)cc(OC)c1CN1CCCC(C)C1,HKUUGZZTJSDSQX-UHFFFAOYSA-N
-rxn:4:187550:225902,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1ccc(C(=O)N(C)OC)c(F)c1,YDUUWGXAMOJWHW-UHFFFAOYSA-N
-rxn:4:187571:225721,CCN(CC)C(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,LEKPVCJNTHRPKE-UHFFFAOYSA-N
-rxn:4:187583:224884,CC1CCN(Cc2cccc(-c3ccc(Cl)c(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,ULKIVPDHLUNQJM-UHFFFAOYSA-N
-rxn:4:187616:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccccc2C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,UXNFMMAULLISGK-UHFFFAOYSA-N
-rxn:4:187641:225007,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3cccc(CN4CCCCC4)c3F)cc2)CC1,OAYAREJGSOIHKE-UHFFFAOYSA-N
-rxn:4:187648:225189,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3cccc(CN4C(=O)CCC4=O)c3)cc2)C1=O,WCVAKCUXGJPYFQ-UHFFFAOYSA-N
-rxn:4:187668:224607,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(C(=O)OCC[Si](C)(C)C)cc2)cc1,MYUNZBPARFAMSD-UHFFFAOYSA-N
-rxn:4:187677:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(C2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1,IPSWWJRXNOTFRW-UHFFFAOYSA-N
-rxn:4:187684:225285,CC(C)Cc1ncc(-c2cccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c2)cc1C(F)(F)F,CBAXWPZMRIFKLA-UHFFFAOYSA-N
-rxn:4:187689:223184,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2cnc(N3CCNCC3)nc2)cc1F,KDBYRJCUSDBVIB-UHFFFAOYSA-N
-rxn:4:187690:222490,O=C(Nc1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)ccc1F)OCc1ccccc1,VCHKYLLNIKFVHY-UHFFFAOYSA-N
-rxn:4:187876:222769,COc1cc2c(cc1-c1ccc(C(=O)NC3CCCC3)c(F)c1)CC(Cc1ncccc1C(F)(F)F)C2=O,ZLBIUTDTQOWDDG-UHFFFAOYSA-N
-rxn:4:187883:224015,CCOc1ccc(-c2cc(S(=O)(=O)N3CCOCC3)c(C)cc2F)cc1S(=O)(=O)N1CCc2ccccc21,VQXMQDLTQGMAIU-UHFFFAOYSA-N
-rxn:4:187912:224420,COc1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c2c1CCN(C(=O)OC(C)(C)C)C2,BUZPEBLPSRQPDE-UHFFFAOYSA-N
-rxn:4:187916:223109,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C(C)NC2CC2)cc1,SHKSWLOTLLYXPZ-UHFFFAOYSA-N
-rxn:4:187916:224867,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(OCC2CCCCC2)cc1,ZJHPCUZVXGHOBP-UHFFFAOYSA-N
-rxn:4:187945:224022,COC(=O)C1=Cc2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2N(CC(C)C)CCC1,KVUURJAKLRJIBV-UHFFFAOYSA-N
-rxn:4:187969:222636,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cccc21,UPGYCURSYZXQMH-HSZRJFAPSA-N
-rxn:4:187995:224855,CCc1cc(-c2cc(C)ccc2-c2ccc(C)cc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,GGOYEWBQWRRYFU-UHFFFAOYSA-N
-rxn:4:188499:224570,CC(c1ccc(-c2cc(C(F)(F)F)c(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCN(C)CC1,XDCDWOMPSCDPAW-UHFFFAOYSA-N
-rxn:4:189286:223559,COc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C(=O)N(C)C,KKQYFBDEQUAMHQ-UHFFFAOYSA-N
-rxn:4:189505:224155,CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCC3)cc(C3CC3)c2)CC1,AVGWABKLNNANDI-UHFFFAOYSA-N
-rxn:4:189505:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC1,KEWSNTSISXVBCE-UHFFFAOYSA-N
-rxn:4:189505:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC1,CUQBNJCURMGLBT-UHFFFAOYSA-N
-rxn:4:189506:224770,Cc1cc(-c2ccc(C(F)(F)F)cc2CN2CC(F)(F)C2)cc(S(=O)(=O)N2CCCC2)c1,XVYCVIHWKJKVHR-UHFFFAOYSA-N
-rxn:4:189507:224394,Cc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)cc1S(=O)(=O)N1CCOCC1,WDLIPCWXVOAWCZ-UHFFFAOYSA-N
-rxn:4:189507:224396,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)ccc1S(=O)(=O)N1CCOCC1,HARNLPLDJOQTMJ-UHFFFAOYSA-N
-rxn:4:189703:224283,COC(=O)C1CC(=O)N(c2cccc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)c2)C1,KUKKTJDZJGDMGS-UHFFFAOYSA-N
-rxn:4:189705:223814,N#CC1(C(=O)c2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)c2)CCOCC1,WCRMZIQETMHOHE-UHFFFAOYSA-N
-rxn:4:189737:224690,O=C1CCN(Cc2ccc(-c3cc(F)ccc3CC(=O)N3CCC(F)(F)C3)c(F)c2)CC1,LORQQIOATGHJLK-UHFFFAOYSA-N
-rxn:4:189766:225173,O=C(c1ccc(-c2ccc(C(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)c(F)c1)N1CCCC1,CBYNVNABDLFASC-UHFFFAOYSA-N
-rxn:4:189847:224582,CC(=O)N(c1ccc(-c2cccc(N3CCN(C4CC4)CC3)c2)cc1)C1C=CS(=O)(=O)C1,JYLPKTXGTSHRID-UHFFFAOYSA-N
-rxn:4:189866:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,FCABAIKYFPHGKM-UHFFFAOYSA-N
-rxn:4:189866:224323,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)cc(C)c1S(=O)(=O)N1CCCC1,GTBHVEVCECGILG-UHFFFAOYSA-N
-rxn:4:189866:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,OFNJGHZJEUEADX-UHFFFAOYSA-N
-rxn:4:189866:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,JMOSLMKMYCJWSO-UHFFFAOYSA-N
-rxn:4:189867:224773,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)ccc1S(=O)(=O)N1CCCC1,WUIWSQMKQBSAMR-UHFFFAOYSA-N
-rxn:4:189918:223973,CC1CCCN(c2ccc(-c3ccc([N+](=O)[O-])c(OC4CCCCC4)c3)c(C(F)(F)F)c2)C1,ZOKSHLVTCFYAOY-UHFFFAOYSA-N
-rxn:4:189973:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1,MJSJIWHWXGBWJO-UHFFFAOYSA-N
-rxn:4:189973:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1,WTVFQLAUTYKDBO-UHFFFAOYSA-N
-rxn:4:189980:223815,COc1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1CN1CCOCC1,GQHVKRSENCRHGN-UHFFFAOYSA-N
-rxn:4:189997:223815,Cc1ccc(/C=N/S(=O)C(C)(C)C)c(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1,MWOKGKPREJDHIK-OGLMXYFKSA-N
-rxn:4:190025:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)CN2CCCCC2=O)CC1,GSQNDFKBGWBMRP-UHFFFAOYSA-N
-rxn:4:190108:224404,CC1CN(C(=O)Cc2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c2)CCO1,FQDVBAVIRGVVKS-UHFFFAOYSA-N
-rxn:4:190165:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,YTZWRXRKDUCFSO-UHFFFAOYSA-N
-rxn:4:190174:226574,CN(C)C(=O)c1cc(-c2cc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c(F)cc2F)ccc1Cl,CVCSQDRIVDWCBT-UHFFFAOYSA-N
-rxn:4:190228:224394,Cc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCOCC1,IAKAWBTUVQRXII-UHFFFAOYSA-N
-rxn:4:190323:224811,CC(C)c1cc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1C(=O)N1CCSCC1,NOPPIDOPLMCQFI-UHFFFAOYSA-N
-rxn:4:190330:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)C(C)C)cc1,RBSSJHDOSSCZPA-UHFFFAOYSA-N
-rxn:4:190354:223166,Cc1cc(-c2ccc(N3CCNCC3)nc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,ZMPGGILAVSBZAY-UHFFFAOYSA-N
-rxn:4:190354:226364,Cc1cc(-c2ccc(N3CCCCC3)nc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,JRBKERAKFQPVCC-UHFFFAOYSA-N
-rxn:4:190388:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCN(S(=O)(=O)C3CC3)CC2)cc1,UDJFTINSMDAZKE-UHFFFAOYSA-N
-rxn:4:190392:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)c(F)c2)cc1C,KCBFEDCZQPVFQS-UHFFFAOYSA-N
-rxn:4:190392:224277,CC(C)C(=O)C1CCCN(c2ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc2F)C1=O,UCKHYEKFYLBKKG-UHFFFAOYSA-N
-rxn:4:190419:224753,CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccccc2-c2cc(S(=O)(=O)N3CCCC3)ccc2C)C1=O,DIJRJDKKYNIBQV-UHFFFAOYSA-N
-rxn:4:190425:225313,Cc1cc(S(=O)(=O)N2CCCC2)c(C(C)C)cc1-c1ccc(N2CCN(C)CC2)nc1F,LYGRPNOEEYVGPO-UHFFFAOYSA-N
-rxn:4:190452:223926,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,GFPUAEQEEOHNPC-UHFFFAOYSA-N
-rxn:4:190493:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(c2ccccc2)S(=O)(=O)CC1,ZEOZLDUCPLKXOM-UHFFFAOYSA-N
-rxn:4:190634:223957,COCCN1C(=O)C(=O)c2ccc(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)cc21,LWZZHCWSMKBCCA-UHFFFAOYSA-N
-rxn:4:190748:222545,CCOC(=O)C1(C)CCc2cc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cnc21,SNTQMYXRYCRPNO-UHFFFAOYSA-N
-rxn:4:190777:222447,COc1ccc2c(c1-c1ccc3ccn(C(=O)OC(C)(C)C)c3c1)N=C(NC(=O)OC(C)(C)C)C2,BSVSYGBVVSOTIO-UHFFFAOYSA-N
-rxn:4:190814:224060,COc1c(C(C)(C)C)cc(-c2ccc3cc(C(=O)ON4C(=O)CCC4=O)ccc3c2)cc1C(C)(C)C,TZWHYGWCESSDJG-UHFFFAOYSA-N
-rxn:4:190869:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)CO2,OKTAIEDBGJODHJ-UHFFFAOYSA-N
-rxn:4:190927:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4=O)cnc21,UHVFQHHHYOXRPE-UHFFFAOYSA-N
-rxn:4:190929:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3=O)cc1,JWXXCJQUWDJPDH-UHFFFAOYSA-N
-rxn:4:190956:223482,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc21,VEGKEZWHTLWMHL-UHFFFAOYSA-N
-rxn:4:191006:225617,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(OC3CCCCO3)cc2)cc1,YCVJMXUPUVSVAU-UHFFFAOYSA-N
-rxn:4:191019:222524,CSc1ccc(CN2Cc3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)ccc3OCC2=O)cc1,KNWICCUAKSMMMB-UHFFFAOYSA-N
-rxn:4:191030:224420,Cc1cc2c(cc1-c1ccc3c(c1)C(C)(C)N(C(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,SPHWHMUEBQBOGR-UHFFFAOYSA-N
-rxn:4:191031:225144,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(N4CCOCC4)cc3C#N)cc2CC1,JBADOKWIFKOMDM-UHFFFAOYSA-N
-rxn:4:191039:222907,CC(C)(C)OC(=O)Nc1cnccc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,FFYBAKYQPDMBDH-UHFFFAOYSA-N
-rxn:4:191041:226330,CC(c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)s1)N1CCCC1,CHTDNLGKEZGGPU-UHFFFAOYSA-N
-rxn:4:191058:222994,COC(=O)C1CCN(C2CCc3cc(-c4cccc(N5CCC(O)CC5)c4)ccc32)CC1,MWIWEJCBGUAXAA-UHFFFAOYSA-N
-rxn:4:191058:225679,COC(=O)C1CCN(C2CCc3cc(-c4ccc(N5CCCCC5)cc4F)ccc32)CC1,DNJUPPVDVWOTMH-UHFFFAOYSA-N
-rxn:4:191062:227078,COc1ccc(C2CC2)c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,HVUOZWQZLDRJNR-UHFFFAOYSA-N
-rxn:4:191063:227197,CN1Cc2ccc(-c3ccc4c(c3)OC3(CC4=O)CN(C(=O)OC(C)(C)C)C3)cc2C1=O,VEMJXJJNSICIQV-UHFFFAOYSA-N
-rxn:4:191067:225312,CN1CCCN(c2ncc(-c3cc(C4SCCN4S(=O)(=O)c4ccc5c(c4)CCO5)ccc3F)cn2)CC1,QNJKDOAVPBPPQF-UHFFFAOYSA-N
-rxn:4:191087:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C,DSCKGXQITWRREZ-UHFFFAOYSA-N
-rxn:4:191087:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,VDLRNNREKCIOFF-UHFFFAOYSA-N
-rxn:4:191089:225721,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cn1,PADSZUHZFRQXBB-UHFFFAOYSA-N
-rxn:4:191105:222407,CCNC(=O)Nc1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,RFLSVSGKXQGIOZ-UHFFFAOYSA-N
-rxn:4:191109:223573,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,CQDGZTLGJKHKGV-UHFFFAOYSA-N
-rxn:4:191109:224968,COc1ccc(-c2cc(C)ccc2OCC2CCCO2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,OLGGXWQQRYYNAI-UHFFFAOYSA-N
-rxn:4:191123:226920,Cc1ccc(C(C)(C)C)cc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,RMCOTDZIEHOZDV-UHFFFAOYSA-N
-rxn:4:191124:227063,Cc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(OC(C)C)c1,XLPWXVRCMFSITA-UHFFFAOYSA-N
-rxn:4:191125:227117,Cc1cc(C2CC2)cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1F,MWLLPDKWZOPPBS-UHFFFAOYSA-N
-rxn:4:191127:223348,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc4c(c3)C(=O)NC4)cc1O2,DXOBCYGYNKXGGR-UHFFFAOYSA-N
-rxn:4:191173:223183,CNS(=O)(=O)c1ccc(-c2cccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)c2)c(C)c1,SIYHNNYGALQMPJ-UHFFFAOYSA-N
-rxn:4:191186:223933,CC(C)(C)OC(=O)n1c(-c2cccc(C3c4c(oc5ccc(F)cc5c4=O)C(=O)N3CC3CCCO3)c2)cc2cc(F)ccc21,NWRAVXJOUUZYEK-UHFFFAOYSA-N
-rxn:4:191187:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(F)cc2)N(CC2CCCO2)C4=O)c(F)c1,SVAZNLDHINRNEX-UHFFFAOYSA-N
-rxn:4:191195:227901,CC(C)Cc1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cn1,BWUBERWCEFREOQ-UHFFFAOYSA-N
-rxn:4:192245:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C3=C(C#N)C(=O)OC3)cc2)CC1,BRVLTJSEOAINGQ-UHFFFAOYSA-N
-rxn:4:193131:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2)cc1,XOQDHWJTDVNHMU-UHFFFAOYSA-N
-rxn:4:193186:222514,COc1ccc(-c2ccc(CN3CCCS3(=O)=O)cc2)cc1S(=O)(=O)NC1CCCCC1,DETKILFTPNOIMX-UHFFFAOYSA-N
-rxn:4:193191:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCC2)c1,QMHVXCQWMDOHGV-UHFFFAOYSA-N
-rxn:4:193281:223917,CN(C(=O)c1cc(F)cc(-c2cc(F)c(C(=O)N3CCOCC3)c(Cl)c2)c1)C1CCCCC1,RQHQJHMXDNOOGH-UHFFFAOYSA-N
-rxn:4:193289:224018,CCN1C(=O)C(=Cc2ccc(F)c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)c2)SC1=S,SLRQXVQTWWXYBM-UHFFFAOYSA-N
-rxn:4:193293:222656,O=C(NC1CCCCC1)c1ccc(-c2cc(N3CCCS3(=O)=O)cc(C(F)(F)F)c2)cc1F,LNQNXFSSENEMAY-UHFFFAOYSA-N
-rxn:4:193293:224571,CC(C)N1CCN(c2ccc(-c3cc(N4CCCS4(=O)=O)cc(C(F)(F)F)c3)cc2)CC1,WSDDKUJNESOSMH-UHFFFAOYSA-N
-rxn:4:193433:223712,COc1ccc(-c2cnc(OC3CCOCC3)c(C)c2)cc1C12CC3CC(CC(C3)C1)C2,RCCQKYINKKHLSK-UHFFFAOYSA-N
-rxn:4:193503:223682,Cc1c(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)ccc(S(C)(=O)=O)c1C1=NOCC1,ZGHQWXBEIGKSNU-UHFFFAOYSA-N
-rxn:4:193503:224011,Cc1c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,KPBFKFNHRQJOEU-UHFFFAOYSA-N
-rxn:4:193503:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(S(C)(=O)=O)c(C4=NOCC4)c3C)c2)CC1,MDFJJNUGEVDOQK-UHFFFAOYSA-N
-rxn:4:193503:224312,Cc1c(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,INQFPWBUYFXRMN-UHFFFAOYSA-N
-rxn:4:193602:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)c(F)c3)c2)CC1,ISIQIURGEPQTJR-UHFFFAOYSA-N
-rxn:4:193623:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cc(S(=O)(=O)N2CCCCC2)c(F)cc1F,NGDIARLJYVFRTO-UHFFFAOYSA-N
-rxn:4:193646:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(N3CCCC(F)(F)C3)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1,KYSPBZCJSWTGGK-UHFFFAOYSA-N
-rxn:4:193683:223926,C[C@H]1COCCN1Cc1ccc(F)c(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1,OXODCXAQOCLNBJ-FQEVSTJZSA-N
-rxn:4:193844:224407,Cc1cc(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)cc(S(=O)(=O)N2CCCCC2)c1,ZEDXVGMEDJBLHQ-UHFFFAOYSA-N
-rxn:4:193881:224986,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCCC3)cc2C#N)CC1,CRXXZDTYXNRHFG-UHFFFAOYSA-N
-rxn:4:193914:224336,FC(F)(F)c1cc(N2CCCCC2)ccc1-c1ccc(CN2CCC3(CC2)COC3)cc1,DOMDQGVALDYHJY-UHFFFAOYSA-N
-rxn:4:193942:222538,Cc1ccc(CN2CCC(C)CC2)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1,GBBFPVOFDZTPNV-UHFFFAOYSA-N
-rxn:4:193961:224782,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,RTRYMAVLSBGUCT-UHFFFAOYSA-N
-rxn:4:193963:222724,Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1,KWLNDZHJCZKRRX-UHFFFAOYSA-N
-rxn:4:193964:222724,Cc1cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCC(C)CC2)c1,QRHYYJGOYKTVGF-UHFFFAOYSA-N
-rxn:4:193989:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCOC34CCCCC4)cc2)cc1,JFYNRNMIJZHSOU-UHFFFAOYSA-N
-rxn:4:194368:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc4c(c3)CN(C(=O)C(F)(F)F)CC4)cc2)CC1,TZFOKFHBJOOTHI-UHFFFAOYSA-N
-rxn:4:194371:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc4c3CCN(C(=O)C(F)(F)F)C4)cc2)CC1,WDDGARIFOQLLRA-UHFFFAOYSA-N
-rxn:4:194375:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc4c(c3)CCC(=O)N4CC(F)(F)F)cc2)CC1,YNLDVHAGFGLKJH-UHFFFAOYSA-N
-rxn:4:194411:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CN2CC3CCC2C3)o1,WSYPNRSBVICHHY-UHFFFAOYSA-N
-rxn:4:194461:222648,COC(=O)C1(C)CCc2c(cncc2-c2cc(NC(=O)OC(C)(C)C)c(C)cc2C)C1=O,HTKAWYXTSOAMNK-UHFFFAOYSA-N
-rxn:4:194461:223743,COC(=O)C1(C)CCc2c(cncc2-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)C1=O,XDGHGYFGAWHDSO-UHFFFAOYSA-N
-rxn:4:194512:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(F)c(CN4C(=O)c5ccccc5C4=O)c3)cc2F)CC1,WFBZKCSUNXTMML-UHFFFAOYSA-N
-rxn:4:194702:223969,Cc1ccc(S(=O)(=O)N2CC(=O)c3cccc(-c4cc(C(F)(F)F)ccc4N4CCC(C)CC4)c3C2)cc1,LGHDMOGQLFMUOU-UHFFFAOYSA-N
-rxn:4:194709:222706,O=C1COc2ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cc2N1CC1CCCCC1,MWMHDWJUONDUNV-UHFFFAOYSA-N
-rxn:4:194710:222982,O[C@@H]1CCN(Cc2ccc(-c3ccc4c(c3)CCC4N3CCC(C(F)(F)F)CC3)cc2)C1,VJWYRDFSKIMCIT-XQZUBTRRSA-N
-rxn:4:194728:224656,COc1ccc(-c2ccc3c(c2)CCN(CC2CCOCC2)C3)c(F)c1OC1CCCC1,OXEISUXWINYVRF-UHFFFAOYSA-N
-rxn:4:194753:224400,Cc1ccc(S(=O)(=O)N2CCC(=O)c3ccc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cc3C2)cc1,OTZPHACVIKKCOK-UHFFFAOYSA-N
-rxn:4:194753:224404,Cc1ccc(S(=O)(=O)N2CCC(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)cc3C2)cc1,LBHYOOJJPKFRCE-UHFFFAOYSA-N
-rxn:4:194768:225052,COC1CCN(C2CCCc3cc(-c4cc(F)cc(N5CCCCC5C)c4)ccc32)CC1,WJKCIXDOFPMBOI-UHFFFAOYSA-N
-rxn:4:194852:225766,CCCOc1c(F)cc(-c2ccc3c(c2)C2CC(C)(O3)N(C)C(=O)C2S(=O)(=O)c2ccccc2)c(C)c1F,VMNFGTGPRXUYII-UHFFFAOYSA-N
-rxn:4:196171:223598,Cc1cc(Cl)c(S(N)(=O)=O)c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1,GSYPGENVEVBOLG-UHFFFAOYSA-N
-rxn:4:196884:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1c(F)cc(N2CCOCC2)cc1F,VXFZAKUSXVRYGJ-UHFFFAOYSA-N
-rxn:4:197604:223521,CCN1Cc2cccc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2C1,TXPASHFJMVCNQK-UHFFFAOYSA-N
-rxn:4:197870:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,OABQZHZPSOXAFU-UHFFFAOYSA-N
-rxn:4:197958:224061,CCCC1CCC(c2ccc(-c3cccc4c3CCCC4N3CCOCC3)c(F)c2)CC1,IWKMCEHWIBGWJO-UHFFFAOYSA-N
-rxn:4:197963:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)CN([C@H]1CC[C@H](C)CC1)C2=O,HCJKIZODHHCRRB-RUCARUNLSA-N
-rxn:4:199471:222468,COC(=O)C(C(=O)OC)c1ncc(-c2ccc3cc(NC(=O)OC(C)(C)C)ccc3c2)cc1[N+](=O)[O-],CGZQEIXXMMKYGQ-UHFFFAOYSA-N
-rxn:4:199500:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(C(C(=O)OC)C(=O)OC(C)(C)C)nc2)cc1,NASKXOGVIGBRRV-UHFFFAOYSA-N
-rxn:4:199536:224679,CCN(Cc1ccc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)cn1)C(=O)OC(C)(C)C,JIAWJMYCEQYZCO-UHFFFAOYSA-N
-rxn:4:199539:225805,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1,FXYCOGYXKCYCNI-UHFFFAOYSA-N
-rxn:4:199570:225977,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2cc(Cl)cnc2N2CCOCC2)c1,KFDLJXYPQRSXKI-GOSISDBHSA-N
-rxn:4:199574:222628,O=[N+]([O-])c1ccc(OCCN2CCCC(C(F)(F)F)C2)c(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1,DAYMHMWWSXHNME-UHFFFAOYSA-N
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-rxn:4:202648:222795,O=C(Nc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1)N1CCOCC1,DNJLHHBEDXDFKG-UHFFFAOYSA-N
-rxn:4:202675:224720,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)c2cccnc21,GNBOTUCEQVQXMR-UHFFFAOYSA-N
-rxn:4:202677:223687,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccnc21,ATCUDZIQBLFATL-UHFFFAOYSA-N
-rxn:4:202712:229015,CC(C)c1sccc1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,BOQJRZQBCXAOCM-IBGZPJMESA-N
-rxn:4:202800:223418,CC#Cc1cc2c(c(F)c1-c1c[nH]cc3nccc1-3)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,FTGMXWPBFXGIJP-LJQANCHMSA-N
-rxn:4:202807:223945,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1,ZQEKHXJEJSGVRE-UHFFFAOYSA-N
-rxn:4:202811:228557,COCc1cccc(-c2cccnc2OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1,SLJVUISUTMWULO-UHFFFAOYSA-N
-rxn:4:202877:223541,N#CCc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1[N+](=O)[O-],GOMJTNSPHXVNHU-UHFFFAOYSA-N
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-rxn:4:203564:222537,COC(=O)c1cnn(C2CCCCO2)c1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,GKDJAUJTINGIOT-UHFFFAOYSA-N
-rxn:4:203579:224008,COC(=O)C1CCCN1c1ccc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cn1,KBQRLCOJRYASFQ-UHFFFAOYSA-N
-rxn:4:203687:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cncc(CC(=O)N4CCC(F)(F)CC4)c3)c2)C1,UMPNDHKXFNZHKC-UHFFFAOYSA-N
-rxn:4:203712:225454,CN1CC=C(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)cc2)CC1,RETKATVYMGQRAA-UHFFFAOYSA-N
-rxn:4:203712:226327,N#CC1(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c(Cl)c2)CC1,PBUFNKJAVYKEII-UHFFFAOYSA-N
-rxn:4:203728:223790,COC(=O)C1CCN(c2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cn2)CC1,KKOBXKDUPLBZQC-UHFFFAOYSA-N
-rxn:4:203730:223528,COc1ncc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C(=O)N1CCCCC1,GEDYXCZDYTWSHZ-UHFFFAOYSA-N
-rxn:4:203737:222723,COC(=O)C1CCN(c2ccncc2-c2cccc(NS(=O)(=O)N3CCOCC3)c2)CC1,YEIWZIPUPAGEAH-UHFFFAOYSA-N
-rxn:4:203775:224376,COC1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,LEFNFAPNFDGNTB-UHFFFAOYSA-N
-rxn:4:203786:222724,O=C(c1cccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)c1)N1CC(N2C(=O)CCC2=O)C1,WTCLOKZMMKHVDW-UHFFFAOYSA-N
-rxn:4:203786:225087,CN(C)CCCOc1ccc(-c2cccc(C(=O)N3CC(N4C(=O)CCC4=O)C3)c2)cc1F,PJEAGVARLJIMPX-UHFFFAOYSA-N
-rxn:4:203797:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(/C(C=[N+](C)C)=C/N(C)C)cc3)cnc21,BGQSEFOQGIPZCY-UHFFFAOYSA-N
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-rxn:4:203880:222826,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)n2)C1,XCXQWYBEXWWWKJ-UHFFFAOYSA-N
-rxn:4:203903:225232,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(N4CCC(C)CC4)c3)cc2F)CC1,ZUNWHWSUQJNFRS-UHFFFAOYSA-N
-rxn:4:203909:225313,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(C)CC3)nc2F)CC1,MUAJNVGIDAMCGQ-UHFFFAOYSA-N
-rxn:4:203962:224400,CCN1CCN(C(=O)c2ccc(C)cc2-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)CC1,WIJZXYGRSCHORS-UHFFFAOYSA-N
-rxn:4:204013:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N(C)C)CC2)cc1S(=O)(=O)NC1CCCCC1,NOOFYCLQGKCTRY-UHFFFAOYSA-N
-rxn:4:204015:225212,CCN1CCN(S(=O)(=O)c2cc(-c3cc(F)cc(N4CCN(C)CC4)c3)ccc2C)CC1,BCWDMXQMQROYDW-UHFFFAOYSA-N
-rxn:4:204015:225213,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)cc3Cl)ccc2C)CC1,RWPSJZCHBCGZIE-UHFFFAOYSA-N
-rxn:4:204015:225228,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)cc3F)ccc2C)CC1,RSHMBGBFGAGCEV-UHFFFAOYSA-N
-rxn:4:204025:225047,Cc1cc(-c2ccc(CN3CCN(C)CC3)c(S(C)(=O)=O)c2)cnc1N1CCC(C)CC1,DKLWLIBOZMINSG-UHFFFAOYSA-N
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-rxn:4:204026:225313,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(N3CCN(C)CC3)nc2F)CC1,ZJZGEARPXWPTCR-UHFFFAOYSA-N
-rxn:4:204063:222465,Cc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,URVRTNUQYRQMBR-UHFFFAOYSA-N
-rxn:4:204067:224679,O=C(c1cc(Cl)cc(-c2ccc(CN3CCCC3)c(N3CCOCC3)c2)c1)N1CCCCC1,XEDFKQVXPXGBJK-UHFFFAOYSA-N
-rxn:4:204100:225654,CC1CCCN(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCC5)CC4)c3)cn2)C1,GNYZMYPCFQXTIW-UHFFFAOYSA-N
-rxn:4:204101:223076,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CCC(N2CCCC2)CC1,GIDIBLBQSYAFSM-UHFFFAOYSA-N
-rxn:4:204114:223285,CS(=O)(=O)Nc1ccccc1-c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)o1,NRDLHWMJSDTHDV-UHFFFAOYSA-N
-rxn:4:204115:222409,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1S(N)(=O)=O,FTZOVBVGQINYSB-UHFFFAOYSA-N
-rxn:4:204134:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c1,MCEYVLQVRSGDGP-UHFFFAOYSA-N
-rxn:4:204141:226122,COCc1ccc(C2CC2)c(-c2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)c1,XZLFOWAPCXEUDW-UHFFFAOYSA-N
-rxn:4:204158:225182,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccnc(OC5CCCCC5)c4Cl)cc3Cl)CC2)cc1,GNYITQPWEZJMMK-UHFFFAOYSA-N
-rxn:4:204169:223533,CC1CN(Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc2N2CCCCC2)CCO1,FTXVFUOWRHLLEF-UHFFFAOYSA-N
-rxn:4:204169:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOC(C)C2)c(N2CCCCC2)c1,VNZMCMGCTCCTLO-UHFFFAOYSA-N
-rxn:4:204172:226123,COCc1ccc(-c2ccc(CN3CCC(C)CC3)c(N3CCCCC3)c2)cc1C1CC1,AWAJJZAURHPMSJ-UHFFFAOYSA-N
-rxn:4:204172:226344,COc1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCCCC3)c2)c(C2CC2)cc1Cl,DJHBJELMLNWMIR-UHFFFAOYSA-N
-rxn:4:204409:223588,CC(=O)CCn1ncc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2c1=O,BEACCMVVNXIEEW-UHFFFAOYSA-N
-rxn:4:204507:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1,MLPJEEDEBFUBRQ-UHFFFAOYSA-N
-rxn:4:204551:222774,COC(=O)C1C2CCC1CN(c1nc(-c3ccc(F)c(CN4CCC(O)CC4)c3)cs1)C2,GATBAWNOJZFQBO-UHFFFAOYSA-N
-rxn:4:204609:224022,COC(=O)c1nn(C2CCCCO2)c2cccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c12,CDUAMUPUHSCZME-UHFFFAOYSA-N
-rxn:4:204642:222702,O=C(CN1CCOCC1)N1CCc2cc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)ccc21,NJYABNBLNLTWLY-UHFFFAOYSA-N
-rxn:4:204648:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)o1)N1CC(N2CCc3sccc3C2)C1,BYSBMNDBSWRKGG-UHFFFAOYSA-N
-rxn:4:204683:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,DTMDFIPYHANJFK-UHFFFAOYSA-N
-rxn:4:204714:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2c(c1)CN(CCc1ccncc1)C(=O)C(C)O2,FGIIMVSRVVTIEQ-UHFFFAOYSA-N
-rxn:4:204753:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(N2C(=NC(=O)c3ccccc3)SC3CS(=O)(=O)CC32)cc1,XBMXNSXVBORAPJ-UHFFFAOYSA-N
-rxn:4:204780:226484,COCCOc1cc(Cl)ccc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,DPVPGOLGTMLBSP-UHFFFAOYSA-N
-rxn:4:204808:227253,CCCOc1ccc(Cl)cc1-c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1,ORCYGNRGQOXXET-UHFFFAOYSA-N
-rxn:4:204867:222697,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccc(Cl)c(C(=O)N5CCC(O)CC5)c4)c3)c3cc(Cl)ccc3S2(=O)=O)CC1,CSKRVRQNRCIGSF-UHFFFAOYSA-N
-rxn:4:204868:222722,CC1CCN(C(=O)C2=CN(c3ccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,QEFFIGZFFUSVHL-UHFFFAOYSA-N
-rxn:4:204915:225101,CCC1Oc2c(OC)cc(-c3ccc(Cl)c(C(=O)N(CC)CC)c3)cc2C2CC(c3ccc(Cl)cc3)=NN12,ARRINJHOLQDNDQ-UHFFFAOYSA-N
-rxn:4:205411:223499,COc1nc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(N)(=O)=O,WGCBANTVOHOJDZ-UHFFFAOYSA-N
-rxn:4:205973:224323,Cc1cc(-c2ccccc2N2N=C(C(F)(F)F)CC2=O)cc(C)c1S(=O)(=O)N1CCCC1,DVZCJALLSWKVGA-UHFFFAOYSA-N
-rxn:4:206439:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(F)c(C(=O)N2CCOCC2)c1,YUZMANDLIGKHOQ-UHFFFAOYSA-N
-rxn:4:206444:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)c(Cl)c3)cc2F)CC1,JNIDGSJOIMEZMN-UHFFFAOYSA-N
-rxn:4:206452:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccc(N3CCC(F)(F)C3)c([N+](=O)[O-])c2)CC1,FCWSJNFOEGAMRY-UHFFFAOYSA-N
-rxn:4:206453:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCC(F)(F)C4)ccc3[N+](=O)[O-])c3ccccc23)CC1,WVVRKXKTUMLJLI-UHFFFAOYSA-N
-rxn:4:206594:223841,Cc1cc(F)c(-c2cccc(CN3CCN(C)C3=O)c2)cc1S(=O)(=O)N1CCN(C)CC1,SZFZOBBJAFPOOO-UHFFFAOYSA-N
-rxn:4:206634:224326,Cc1cc(-c2ccc(N3CCC(F)(F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCCCC1,CWHVOFPFKOAMDX-UHFFFAOYSA-N
-rxn:4:206641:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(C#N)c3N3CCCC(F)(F)C3)c2)CC1,YQSDHALXEDFUOJ-UHFFFAOYSA-N
-rxn:4:206643:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cc(C#N)ccc3N3CCCC(F)(F)C3)cc2)CC1,QNURDSNRVSDYMW-UHFFFAOYSA-N
-rxn:4:206651:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(C(=O)N4CCC(F)(F)CC4)c(Cl)c3)cc2)C1,HRCCMSGUJKZJAU-UHFFFAOYSA-N
-rxn:4:206704:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cc(S(N)(=O)=O)ccc3N3CCCC3)cc2)CC1,SHGUHPLSDNMGFH-UHFFFAOYSA-N
-rxn:4:206714:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CCCN2S(C)(=O)=O)nc1,KNBPWRROXFCYNE-UHFFFAOYSA-N
-rxn:4:206714:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4S(C)(=O)=O)nc3)cc2)CC1,CWDHOIWDGHQNTH-UHFFFAOYSA-N
-rxn:4:206721:222658,O=C(NC1CCCCC1)c1cc(F)cc(-c2cc(N3CCCCC3)c([N+](=O)[O-])cc2F)c1,NCGQYBBRLSFGOO-UHFFFAOYSA-N
-rxn:4:206758:224770,Cc1cc(-c2cc(Cl)cnc2N2CCC(C(F)(F)F)CC2)cc(S(=O)(=O)N2CCCC2)c1,DNKZAOUOEYKHLG-UHFFFAOYSA-N
-rxn:4:206767:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc(N3CCCC(F)(F)C3)c([N+](=O)[O-])cc2F)c1,ZXWUIOJXBWRJMQ-UHFFFAOYSA-N
-rxn:4:206776:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(C(=O)N3CCCCC3)n(C)c2)CC1,CSDYNNWXLBLVRJ-UHFFFAOYSA-N
-rxn:4:206807:225213,CN1CCN(c2ccc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c(Cl)c2)CC1,GTWUYXGVIXITGU-UHFFFAOYSA-N
-rxn:4:206926:223994,CCN1CCN(c2cc(Cl)cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)c2)CC1,YTXJNCWUADSPIT-UHFFFAOYSA-N
-rxn:4:206944:224312,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)N4CCN(C)CC4)c3)nc2)CC1,KYXPTFVBEHKWNO-UHFFFAOYSA-N
-rxn:4:206944:224318,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)nc2)CC1,JXPXPMNABAXACL-UHFFFAOYSA-N
-rxn:4:206958:224349,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,GOKKEJKANWTUCU-UHFFFAOYSA-N
-rxn:4:206964:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)c2)CC1,KTNUALPPQVGFKY-UHFFFAOYSA-N
-rxn:4:206976:224705,CC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3F)c(F)c2F)CC1,KWYNEROOLKCSFW-UHFFFAOYSA-N
-rxn:4:206978:224761,CC1CCN(c2ncc(C(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,OKGOOZQJZVFYEU-UHFFFAOYSA-N
-rxn:4:206983:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCC(C)CC2)cc1C(F)(F)F,UJHHEDFBTARMGE-UHFFFAOYSA-N
-rxn:4:206985:222826,CN1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2C(F)(F)F)CC1,HVXHIQGFYOBFAJ-UHFFFAOYSA-N
-rxn:4:206985:224818,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2C(F)(F)F)CC1,GYYPRQZDDCGXRC-UHFFFAOYSA-N
-rxn:4:206990:225227,CC1CCN(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2Cl)CC1,WOSIVTMEUKYITJ-UHFFFAOYSA-N
-rxn:4:207017:224773,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)c(Cl)cc1C(=O)N1CCN(C)CC1,FFYPBZIEOKZRTG-UHFFFAOYSA-N
-rxn:4:207019:224676,Cc1cc(-c2ccccc2C(=O)N2CCN(C)CC2)cc(C(=O)N2CCN(C)CC2)c1F,JSBIBZLJRHZNTG-UHFFFAOYSA-N
-rxn:4:207021:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C)c(C(=O)N2CCN(C)CC2)c(F)c1,OCTYCFQUFFFBDR-UHFFFAOYSA-N
-rxn:4:207022:224811,Cc1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C(=O)N2CCN(C)CC2)c1F,JGCSNMAZUYFBGN-UHFFFAOYSA-N
-rxn:4:207024:224770,Cc1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2C)cc(S(=O)(=O)N2CCCC2)c1,ZBMZGBIYOUQEEG-UHFFFAOYSA-N
-rxn:4:207057:222724,Cc1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,QJGUJKZTRSKIJR-UHFFFAOYSA-N
-rxn:4:207057:224705,Cc1ccc(-c2ccc(N3CCC(C)CC3)c(F)c2F)cc1S(=O)(=O)N1CCN(C)CC1,AIMURMDAZUCLQD-UHFFFAOYSA-N
-rxn:4:207057:224765,Cc1ccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1,NNHBAMMUNWJISC-UHFFFAOYSA-N
-rxn:4:207057:224766,Cc1ccc(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,ZAKSYADOIDUIJL-UHFFFAOYSA-N
-rxn:4:207058:222724,Cc1cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GSJSQNNLCQLZEY-UHFFFAOYSA-N
-rxn:4:207058:224704,Cc1cc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,BDLDVVNHCFUPLM-UHFFFAOYSA-N
-rxn:4:207059:224769,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(N2CCCC2)cc1C(F)(F)F,ZLJOVJSKVPCILK-UHFFFAOYSA-N
-rxn:4:207061:224668,CCN1CCN(c2cc(F)cc(-c3cccc(S(=O)(=O)N4CCCN(C)CC4)c3)c2)CC1,UGSDYBCAGUEZLW-UHFFFAOYSA-N
-rxn:4:207061:224810,CN1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)c2)CC1,MQOCWHTXGBXLMR-UHFFFAOYSA-N
-rxn:4:207062:224705,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCC(C)CC2)c(F)c1F,PDDNHTWZUXRAHV-UHFFFAOYSA-N
-rxn:4:207062:224765,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(F)(F)F)ccc1N1CCCC1,KGJMIIZIFNLCLK-UHFFFAOYSA-N
-rxn:4:207062:224766,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(N2CCCC2)cc(C(F)(F)F)c1,LHLDCNDUGWZAFO-UHFFFAOYSA-N
-rxn:4:207062:224769,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCCC2)cc1C(F)(F)F,YYIGHOWNQKREMQ-UHFFFAOYSA-N
-rxn:4:207062:224780,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCOC2)c(C(F)(F)F)c1,RWRJNKLWHKKONU-UHFFFAOYSA-N
-rxn:4:207064:224782,Cc1cc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,ZKWFDFDVFDPBHL-UHFFFAOYSA-N
-rxn:4:207064:224810,Cc1cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,JVWNSACPKLJUAO-UHFFFAOYSA-N
-rxn:4:207064:225223,Cc1cc(-c2cnc(N3CCC(C)CC3)cc2F)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,PIPZRVLJGSWILX-UHFFFAOYSA-N
-rxn:4:207077:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2cncc(C(=O)N3CCC(=C4CCC4)CC3)c2)c1,VTUSAMRJCUNTBA-UHFFFAOYSA-N
-rxn:4:207079:224811,Cc1cc(C(=O)N2CCN(C)CC2)cc(C)c1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,CLLXEHUNVWNGBU-UHFFFAOYSA-N
-rxn:4:207085:224782,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,HJWXMMBFYHWKQF-UHFFFAOYSA-N
-rxn:4:207311:223813,COC(=O)c1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)nc2n1CCOC2,BQWZXKNFXYEZER-UHFFFAOYSA-N
-rxn:4:207623:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc(OC3CN4CCC3CC4)nc2)cc1C(F)(F)F,IGZAALOGKBVNMU-UHFFFAOYSA-N
-rxn:4:207712:223809,COc1cc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc2c1cnn2C1CCCCO1,SGKCLDMZOYXURB-UHFFFAOYSA-N
-rxn:4:207736:222465,CN1C2CCC1CC(Oc1ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn1)C2,FDHYCSYORQEERS-UHFFFAOYSA-N
-rxn:4:207854:222777,OC1CCN(Cc2ccc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cc2Cl)CC1,HWINGVHLUCJIOG-UHFFFAOYSA-N
-rxn:4:208232:223493,CSc1ncc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c(Cl)n1,BFJFZVRDNFZJKY-UHFFFAOYSA-N
-rxn:4:208388:223492,Cc1cc(-c2cncc([N+](=O)[O-])c2C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FDQCQDBTJGNMLZ-UHFFFAOYSA-N
-rxn:4:209764:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCC(F)CC4)nc3)c(F)cc2C)CC1,RRONFSZTZLTFJQ-UHFFFAOYSA-N
-rxn:4:209784:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(N4CCC(F)(F)CC4)c3)ccc2C)CC1,BDSFQHZJJAXBAQ-UHFFFAOYSA-N
-rxn:4:209869:223712,COc1ccc(-c2ccc(N3CCN(C)CC3)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,WSKKLRKOCHCWKB-UHFFFAOYSA-N
-rxn:4:209871:223712,COc1ccc(-c2cc(Cl)cc(N3CCN(C)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,WNPHHHWDCWSTCJ-UHFFFAOYSA-N
-rxn:4:209880:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(F)(F)CC4)nc3C)cc2)CC1,JXBIGDAJWIGJIE-UHFFFAOYSA-N
-rxn:4:210681:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C3=CSC4=NCCN34)cc2)CC1,QXIOMGADMMDXJL-UHFFFAOYSA-N
-rxn:4:210689:223813,Cn1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1C12CCCOC1O2,QRGRUKMIWRDWCN-UHFFFAOYSA-N
-rxn:4:210794:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C3CN4CCSC4=N3)cc2)CC1,GGAUHHPIQJJJMR-UHFFFAOYSA-N
-rxn:4:211047:222524,CN1C(=O)CN=C(c2ccccc2Cl)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)ccc21,WJZPUYSOKVCSQC-UHFFFAOYSA-N
-rxn:4:211068:224407,N#CC1=C2CCCN2c2cc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)ccc2S1(=O)=O,BFZMEPKWDOEVHO-UHFFFAOYSA-N
-rxn:4:211099:222742,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCNCC5)nc(C5CC5)c4)ccc2OC32CCCC2)cc1,RFXXMYWYOIQBON-UHFFFAOYSA-N
-rxn:4:211099:223753,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)ccc2OC32CCCC2)cc1,VCXAVQBVQHODBD-UHFFFAOYSA-N
-rxn:4:211101:222639,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)ccc2OC32CCC(C)CC2)cc1,GZLLGMLVAJIPEX-QZWBIKMDSA-N
-rxn:4:212529:222771,O=C(NC1CCCC1)c1cc(-c2cnc(OC3CCN(C(=O)CCC(F)(F)F)CC3)nc2)ccc1F,SUBLLAKYBRLOBV-UHFFFAOYSA-N
-rxn:4:212532:223770,CC(C)(C)OC(=O)n1c(-c2cnn(CC3CN(C(=O)c4cccc(OC(F)(F)F)c4)C3)c2)cc2c(C#N)cccc21,GUDIOJDLZHNGPB-UHFFFAOYSA-N
-rxn:4:212547:224650,CCOCCN1CCC(Oc2ncc(-c3cc(F)ccc3OCC3CCOCC3)cn2)CC1,PJXIUIKKGINVFK-UHFFFAOYSA-N
-rxn:4:212585:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C(C)C)cc1,IGKDYCCUIUIUAY-UHFFFAOYSA-N
-rxn:4:212593:223681,CN(C(=O)c1ccc(-c2cc3cc([N+](=O)[O-])ccc3n2C(=O)OC(C)(C)C)nc1)C1CN(C(=O)OC(C)(C)C)C1,VWLQGIIZFRQRBL-UHFFFAOYSA-N
-rxn:4:212622:225126,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(F)ccc3OCC3CCCO3)cn2)C1,MVYTZISABWEGQP-UHFFFAOYSA-N
-rxn:4:212631:222961,CCCCNC(=O)c1cccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c1,HLQQNRASSYKQEY-UHFFFAOYSA-N
-rxn:4:212649:224592,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)C1,QVVUPBIYMXSGLY-UHFFFAOYSA-N
-rxn:4:212649:224595,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCCC(C)C4)cc3OC)cn2)C1,HONZNKBFKUNOGK-UHFFFAOYSA-N
-rxn:4:212649:226512,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccncc3OCC3CCO3)cn2)C1,YYPYWOFHCYBYJR-UHFFFAOYSA-N
-rxn:4:212649:228466,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)sc3C(=O)OC)cn2)C1,DRVRCZPTFDOBEW-UHFFFAOYSA-N
-rxn:4:212650:224718,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,KZQJXGLFJLGPFB-UHFFFAOYSA-N
-rxn:4:212667:222442,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cn3)C2)cc1,NHWPXHVVEAOLFB-UHFFFAOYSA-N
-rxn:4:212741:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,KBZDRFIOCXXCHK-UHFFFAOYSA-N
-rxn:4:212771:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc2nc(N(CCN(C)C)C(=O)C3=COCCO3)sc2c1,JKFSAMIZSCROLL-UHFFFAOYSA-N
-rxn:4:212799:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(N(CCN(C)C)C(=O)C4CCCCC4)sc3c2)cc1,PUTNNFNWGHTXOE-UHFFFAOYSA-N
-rxn:4:212887:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CCN(CC(=O)OC)C4)c3)c(F)c2)CC1,DGLBVVXUJDGGKP-HBCBNPTOSA-N
-rxn:4:212936:222808,CC(=O)OCCN1CCN(c2ccc(-c3cc(C(=O)NC(C)C)cc([N+](=O)[O-])c3)cn2)CC1,MUOLURVGRGZNKW-UHFFFAOYSA-N
-rxn:4:212976:222610,CC(C)(C)OC(=O)Nc1cc(-c2cnccc2OC2CCN(Cc3ccc(C#N)cc3)C2)cc([N+](=O)[O-])c1,PEXMCMWPEBOJMJ-UHFFFAOYSA-N
-rxn:4:212980:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(F)cn5)C4)c3)cc2)C1,AXBWIQVEPPHOIC-UHFFFAOYSA-N
-rxn:4:212990:223998,Cc1cccc(CC(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c(F)c4)cn3)C2)c1,SDTLMWHVTTXICW-UHFFFAOYSA-N
-rxn:4:212992:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)C3CC3)C2)nc1,NLXDWOGMSMZARL-UHFFFAOYSA-N
-rxn:4:213011:223080,CC(C)NS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)C(C)C)C3)nc2)cc1,MRTISPPQXWVPGW-UHFFFAOYSA-N
-rxn:4:213040:222396,Cc1nc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,OLEXUTMACKXYNE-UHFFFAOYSA-N
-rxn:4:213053:224592,N#CC1(c2ccc(F)c(-c3cnc(OCC4CCCN(C(=O)C5CC(F)(F)C5)C4)nc3)c2)CCCCC1,VJZAEAMNYIUMCT-UHFFFAOYSA-N
-rxn:4:213053:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,KEIYRPFSMPXUKM-UHFFFAOYSA-N
-rxn:4:213053:227965,Cc1ccnc(C(C)C)c1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,SEMIUOZGRLDNOG-UHFFFAOYSA-N
-rxn:4:213055:222541,COc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c(C(=O)N(C)C2CN(c3ccccn3)C2)c1,PQZJVHIRBAKRDV-UHFFFAOYSA-N
-rxn:4:213066:226127,CCOc1ccc(C(C)C)cc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)o1,AQUOOVCEFRILRR-UHFFFAOYSA-N
-rxn:4:213070:222648,Cc1cc(C)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1NC(=O)OC(C)(C)C,SHEOVCIFLVYEGG-UHFFFAOYSA-N
-rxn:4:213081:223294,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc(N4CCNCC4)n3)cc2C#N)CC1,NLOBZYQSHIPJKJ-UHFFFAOYSA-N
-rxn:4:213100:226021,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(Cl)ccc3OCC(F)(F)F)c(C(F)(F)F)n2)CC1,QCMXWJCVZVSPEQ-UHFFFAOYSA-N
-rxn:4:213130:226661,CN1CCN(c2csc(-c3cncc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,GXILPGSGCRLKGN-UHFFFAOYSA-N
-rxn:4:213131:224718,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,YJZMCHSPRQNEIS-UHFFFAOYSA-N
-rxn:4:213133:226477,CCCCOc1ncc(Cl)cc1-c1cnc(OCC2CCN(CC3CCCO3)CC2)nc1,POBQFEICGREWLW-UHFFFAOYSA-N
-rxn:4:213136:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OCC2CCCN(CC3CCCO3)C2)nc1,PQXVPFJNHMBIMT-UHFFFAOYSA-N
-rxn:4:213178:224194,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)oc5C)C4)nc3)cc2Cl)CC1,BLOKVIGLDSZXDZ-UHFFFAOYSA-N
-rxn:4:213195:225547,CCCCOc1cc(F)c(C)cc1-c1cnc(OCC2CCN(C(=O)C3CCOCC3)CC2)nc1,USCGRTWTPPYNLA-UHFFFAOYSA-N
-rxn:4:213197:222579,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(Cl)c(C(=O)Nc5ccccc5C)c4)cc3)C2=O)CC1,UJRIOFREMVAYII-UHFFFAOYSA-N
-rxn:4:213264:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(CC(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c2)C1,CDPNSRRWFBJKNQ-UHFFFAOYSA-N
-rxn:4:213274:223959,CCN1CCN(C(=O)c2cc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCOC(c6ccccc6)C5)n4)cc3)ccc2Cl)CC1,ORFZNAHVJSNQOH-UHFFFAOYSA-N
-rxn:4:213278:223557,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)C3)n2)c1,IIHBJNMAQADOQU-UHFFFAOYSA-N
-rxn:4:213279:225059,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(N5CCC(C)CC5)cc4Cl)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,RVWMTUMCGXNYQJ-UHFFFAOYSA-N
-rxn:4:213281:225421,CN(C)c1cccc2c(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cccc12,QPOONBFHFLUVCS-UHFFFAOYSA-N
-rxn:4:213291:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3ccc(CC(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)ccc21,LHGXHGPLFISMIJ-UHFFFAOYSA-N
-rxn:4:213311:223809,C[Si](C)(C)CCOCn1nc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c2cccnc21,CQAKGKQEXUPJGF-UHFFFAOYSA-N
-rxn:4:213353:222484,Cc1ccc(NC(=O)c2cc(F)cc(-c3cnccc3OC3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)c(C)c1,YGMZCLFCMMVZCU-UHFFFAOYSA-N
-rxn:4:213363:224502,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cccc(OCC6CCCCN6C)c5)c4)CC3)nc2c1,ZFLFQXGAGVFVAT-UHFFFAOYSA-N
-rxn:4:213395:224188,CC(C)N(C(=O)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c3c2)c(Cl)c1)C(C)C,MVUNXLDVRMLDOQ-UHFFFAOYSA-N
-rxn:4:213427:222883,CC(C)(C)NC(=O)c1ccc(-c2ccc(-n3c(SCC(=O)N4CCCc5ccccc54)nc4c(c3=O)SCC4)cc2)c(Cl)c1,YKMHRCHFEIGNJC-UHFFFAOYSA-N
-rxn:4:213439:225585,O=C(Cn1ccc2c(-c3ccccc3CN3CCOCC3)cccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,OGLNWTVXFPIAOD-UHFFFAOYSA-N
-rxn:4:213451:222392,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(NC(=O)Nc6ccc(Cl)cc6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZLRMUUWNHZQLNL-UHFFFAOYSA-N
-rxn:4:213459:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c2)CC1,ILKDJVXITCACIJ-HHHXNRCGSA-N
-rxn:4:213475:225898,COc1cc(-c2cnn(CCN3CCOCC3)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,PWJUQIIBCQBGEU-DDNMIIFDSA-N
-rxn:4:213480:223041,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C(=O)NC5CC5)ccc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,IYFCVSAKKLCRQC-VAALAVNJSA-N
-rxn:4:213480:224397,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FMZBRURMVOMWEY-QPYSNBRXSA-N
-rxn:4:213480:224680,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C(=O)N5CCCCC5)ccc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,BUXICRWNLYWRJA-NXEFQXHYSA-N
-rxn:4:213480:225188,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(CN5CCOCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DDTQMOPVGZXXAG-QPYSNBRXSA-N
-rxn:4:213480:225594,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)cc4CN4CCCC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QKBJCAJERMMIHI-QPYSNBRXSA-N
-rxn:4:213480:226107,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C)cc(OCC5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ATULPODUKWASRJ-IYYFJEEQSA-N
-rxn:4:213480:226643,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCOCC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZCLTVDDOVBQTGX-QUOLTWHMSA-N
-rxn:4:213686:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn(CC3CN(C(=O)C(C)(C)C)C3)c2)c1,ODXUVUZLQLLEAS-UHFFFAOYSA-N
-rxn:4:213686:224571,CC(C)N1CCN(c2ccc(-c3cnn(CC4CN(C(=O)C(C)(C)C)C4)c3)cc2)CC1,WZBDQAGDQLAPNF-UHFFFAOYSA-N
-rxn:4:213698:223534,Cc1nc(C(=O)N2CCC(Oc3ccc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cn3)C2)cs1,UFWJKKUPJLNXBY-UHFFFAOYSA-N
-rxn:4:213764:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)cc2F)CC1,QSELZHOXJOJYAD-UHFFFAOYSA-N
-rxn:4:213795:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3CCCOC3)C2)c1,UZYSFTHOZRHOES-UHFFFAOYSA-N
-rxn:4:213798:225170,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(F)ccc3CN3CCOCC3)cn2)C1,JNIPNONRRXVFLY-UHFFFAOYSA-N
-rxn:4:213799:225882,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnc(Cl)c(C4CCOCC4)c3)ncn2)C1,VPYJRICZCONBBF-UHFFFAOYSA-N
-rxn:4:213800:225172,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc(CN3CCOCC3)ccc2F)ncn1,HXQAMPVLWCLEJS-UHFFFAOYSA-N
-rxn:4:213800:225875,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(N3CCOCC3)cc2Cl)ncn1,FUUWGMYDYAHQSA-UHFFFAOYSA-N
-rxn:4:213803:223049,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(C(=O)NC3CC3)cc2F)cn1,LVNMCTWSOYDGGB-UHFFFAOYSA-N
-rxn:4:213834:224969,Cc1cc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1C(=O)OC(C)(C)C,PQWDPWZEHRMVJV-UHFFFAOYSA-N
-rxn:4:213879:225050,CC1CCN(c2cc(F)cc(-c3ncccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IXRQLKYZRKICCB-UHFFFAOYSA-N
-rxn:4:213880:222457,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1,ZXVIVYQEDUZRMO-UHFFFAOYSA-N
-rxn:4:213886:222684,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)n2)CC1,HNHCKCHENKTUNA-UHFFFAOYSA-N
-rxn:4:213894:222887,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCNCC4)c3)cn2)CC1,QMMOBPOOAGHHRV-UHFFFAOYSA-N
-rxn:4:213896:225161,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(F)c(C(=O)N4CCCC4)c3)cn2)CC1,ZDSQHVIXRTVQMK-UHFFFAOYSA-N
-rxn:4:213898:225172,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,GBAAALDJFCTUGX-UHFFFAOYSA-N
-rxn:4:213899:224878,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccccc1COC1CCCCC1,SVJYCSOKCUHDAH-UHFFFAOYSA-N
-rxn:4:213906:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4cccn4)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,SISXKGILOACWAR-UHFFFAOYSA-N
-rxn:4:213908:223894,CC(C)c1nnc(C2CCN(C(=O)c3ccc(-c4cccc(OCCCN5CCN(C)CC5)c4)o3)CC2)o1,DKJUBDDAUYSZLA-UHFFFAOYSA-N
-rxn:4:213948:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(CC5CCCC5)CC4)nc3)cc2)CC1,SJGMNIXZWZWUTQ-HCGLCNNCSA-N
-rxn:4:213948:225677,Fc1nc(C2CCCCC2)ccc1-c1cnc(OC2CCN(CC3CCCC3)CC2)nc1,BUXUONTUTAOPKF-UHFFFAOYSA-N
-rxn:4:213974:222723,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,LIPZJDKUCZNDJQ-UHFFFAOYSA-N
-rxn:4:213983:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc1,DFUBCIGIBDFGTP-UHFFFAOYSA-N
-rxn:4:213988:223046,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(F)c(C(=O)NC4CC4)c3)cn2)CC1,FSTKMVHYDFDUCN-UHFFFAOYSA-N
-rxn:4:213989:226252,CCCCOc1cc(Cl)ccc1-c1cnc(OCC2CCCN(C3CCOCC3)C2)nc1,SFXLQXJCBQQMQN-UHFFFAOYSA-N
-rxn:4:213989:226448,Clc1ncc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)cc1C1CCCC1,CFCSZOBWZKSBQV-UHFFFAOYSA-N
-rxn:4:213991:225710,CCOC(OCC)c1ncccc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,GRDLODHHGGDANQ-UHFFFAOYSA-N
-rxn:4:213994:226289,COc1cccc(OC(C)C)c1-c1cncc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1,IGINMXWABQNQCQ-GOSISDBHSA-N
-rxn:4:214013:225899,COc1cc(N2CCN(C(=O)c3cccc(-c4cc(C)nn4C(=O)OC(C)(C)C)c3C)CC2=O)ccn1,UIRFBPURMFWSEU-UHFFFAOYSA-N
-rxn:4:214027:223156,CCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,MGUUYIHYAYJIBK-UHFFFAOYSA-N
-rxn:4:214033:224566,COC(=O)C1(c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)CCCC1,DKZJVBPTCAYIFT-CLJLJLNGSA-N
-rxn:4:214033:227861,CC(C)[C@H]1COC(c2cc(-c3cnc4c(c3)CCCC4)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,FHKUVLNIUGENHU-DNQXCXABSA-N
-rxn:4:214062:224486,CCN1CCN(Cc2ccc(-c3cccc(C(=O)N(C(C)C)C(C)C)c3)cc2N2CCOCC2)CC1,XUHKOWUVYARMQC-UHFFFAOYSA-N
-rxn:4:214071:224274,CC(C)(C)OC(=O)n1c(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)cc2cnccc21,DEXZJFFROFRUEQ-UHFFFAOYSA-N
-rxn:4:214074:223137,Cc1nn(S(=O)(=O)c2ccc(-c3cncc(C4CCCNC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,RKDHPNNHWWTAME-UHFFFAOYSA-N
-rxn:4:214162:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc4[nH]c(C(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)c2)CC1,OBDPROXSXOZVFE-UHFFFAOYSA-N
-rxn:4:214254:223582,COC(=O)c1ccc2cc(-c3cnc4c(cnn4[Si](C(C)C)(C(C)C)C(C)C)c3)n(C(=O)OC(C)(C)C)c2c1,CDOFMEJASAQZLK-UHFFFAOYSA-N
-rxn:4:214254:223940,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cnc21,IJOMYCUGIMRTIO-UHFFFAOYSA-N
-rxn:4:214255:222636,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c2c(Cl)ncnc21,VJYQMFDCXPALQF-HXUWFJFHSA-N
-rxn:4:214275:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,LBBRVSPZELRSCV-UHFFFAOYSA-N
-rxn:4:214321:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)cc1,OLFOAEMGJSFOSF-UHFFFAOYSA-N
-rxn:4:214379:223312,O=C(c1ccc(-c2ccc(C3CNC3)cc2)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,GKCRKMHMYSLSDQ-UHFFFAOYSA-N
-rxn:4:214379:227455,CCn1cnc2cc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc6c7c(c5)CCN7C(=O)CC6)CC4)o3)cnc21,YCBZAJXFEPIFKP-UHFFFAOYSA-N
-rxn:4:214627:224323,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)cc(C)c1S(=O)(=O)N1CCCC1,UBTGFQLRVRHUDA-UHFFFAOYSA-N
-rxn:4:214627:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,DIFJVCSBQMMDHD-UHFFFAOYSA-N
-rxn:4:214668:224325,CCN1CCN(C(=O)c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)nc2)CC1,FOQKKSXYRXKMBN-UHFFFAOYSA-N
-rxn:4:214706:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)c(C(F)(F)F)c1,ZGEXVYHGVNIGHI-UHFFFAOYSA-N
-rxn:4:214706:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)c1,RQJHSZXOHRNKMZ-UHFFFAOYSA-N
-rxn:4:214710:222805,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(F)c(F)c(N4CCC(O)CC4)c3)c2)CC1,TXQMLQHLXCDQEA-UHFFFAOYSA-N
-rxn:4:214710:224575,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCC(C)CC4)cc3C#N)c2)CC1,ZWUPGMGRNJSQDU-UHFFFAOYSA-N
-rxn:4:214735:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1,KFCYIIFQUGWLBD-UHFFFAOYSA-N
-rxn:4:214742:224195,CCN1CCN(Cc2cc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)ccc2Cl)CC1,YWACJWBRIAGLNW-UHFFFAOYSA-N
-rxn:4:214743:224672,CCN1CCN(c2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)c(Cl)c2)CC1,LPRSZQHKYUUNSI-UHFFFAOYSA-N
-rxn:4:214745:222624,CC(C)Cc1cc(-c2ccc(C#N)c(N3CCC(N(C)C)CC3)c2)cc(C2CCNCC2)n1,NLLIAIPDGFGLAF-UHFFFAOYSA-N
-rxn:4:214760:223671,Cc1cnccc1OC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)C1,RWRLCKIAWPKYEM-UHFFFAOYSA-N
-rxn:4:214771:222892,COc1cc(N2CCNCC2)ccc1-c1cc([N+](=O)[O-])ccc1N1CCC(N(C)C)CC1,HSPOFEHPVPMYCH-UHFFFAOYSA-N
-rxn:4:214773:223569,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)CC1,ZTRHGCYTDNISEZ-UHFFFAOYSA-N
-rxn:4:214773:224782,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CC1,QNOKJPNSXFBLRE-UHFFFAOYSA-N
-rxn:4:214774:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,INIIZWPSGTYMRC-UHFFFAOYSA-N
-rxn:4:214774:225294,CCN1CCN(c2ncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)CC1,OABODZASBPKDSA-UHFFFAOYSA-N
-rxn:4:214802:222584,O=C(C1CN(c2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CCO1)N1CCCC1,MNGIRWYFNPRWSL-UHFFFAOYSA-N
-rxn:4:214802:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,GKSMPRFJDCUHJD-UHFFFAOYSA-N
-rxn:4:214820:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c(F)c2)CC1,JXXNSGPLIMTSKO-RZWCHVLBSA-N
-rxn:4:214826:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)cn2)cc1,ORZMLBPDOZOWQI-UHFFFAOYSA-N
-rxn:4:214830:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc21,GBKQMWLZMOWZCR-UHFFFAOYSA-N
-rxn:4:214837:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2F)CC1,PBJLPASQSMHMOP-UHFFFAOYSA-N
-rxn:4:214839:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,ZMMIFOKEJAAJFN-UHFFFAOYSA-N
-rxn:4:214865:226231,CCCCOc1ncc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1C,KKUZESIBBOYDHH-UHFFFAOYSA-N
-rxn:4:214868:222865,CCCCNC(=O)c1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1Cl,AJUUKOVVMYQJNP-UHFFFAOYSA-N
-rxn:4:214872:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,BCXHIRLKLMXBAC-UHFFFAOYSA-N
-rxn:4:214874:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)ccc1Cl,JJXURCDEPLDWCO-UHFFFAOYSA-N
-rxn:4:214875:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,PKRBNYRREGDMQW-UHFFFAOYSA-N
-rxn:4:215075:225688,FC(F)(F)CN1C2CCC1CC(n1cc(-c3cnc(C4CCCCC4)c(Cl)c3)cn1)C2,ADDRBDHBDCCKJH-UHFFFAOYSA-N
-rxn:4:215097:222809,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3cc(Cl)ncc3NC(=O)OC(C)(C)C)n21,QMEWIFYCDYCMDT-UHFFFAOYSA-N
-rxn:4:215103:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)cc1,BKMMBCXPLKBASB-UHFFFAOYSA-N
-rxn:4:215166:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3C4CCC3CC(n3cccn3)C4)c2)CC1,VHWAJQNBRLPHPL-UHFFFAOYSA-N
-rxn:4:215780:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)c2)CC1,YQOLJXUBAOUJLZ-UHFFFAOYSA-N
-rxn:4:215802:223993,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,XVPBBARRMLLECM-UHFFFAOYSA-N
-rxn:4:215826:222465,COc1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(N2CCCCC2)n1,QLHNCCPMHGJFEI-UHFFFAOYSA-N
-rxn:4:215846:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cnn(C)c3C(=O)N3CCOC(C)C3)c2)C1,LCVXOSRHDVJGQY-UHFFFAOYSA-N
-rxn:4:215859:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCN(C)CC2)c(C#N)c1,JFXUFSCIZXCUAZ-UHFFFAOYSA-N
-rxn:4:215864:222588,CN1CCN(C(=O)c2cc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)cnc2F)CC1,YGTRUQKEKISVHS-UHFFFAOYSA-N
-rxn:4:215865:223841,Cc1cc(F)c(-c2nc(C(=O)N3CCN(C)CC3)ccc2F)cc1S(=O)(=O)N1CCN(C)CC1,QDDXUXTVITVTON-UHFFFAOYSA-N
-rxn:4:215872:223842,CCN1CCN(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)n2)CC1,LJSVPMZZEISIIU-UHFFFAOYSA-N
-rxn:4:215879:223785,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)C4)nc3)cc2Cl)CC1,CHFLDJOVJBTZSX-UHFFFAOYSA-N
-rxn:4:215891:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1,FRQBFHBBEFBZCT-UHFFFAOYSA-N
-rxn:4:215895:224155,CC1CCN(c2cc([N+](=O)[O-])cc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)n2)CC1,BUKYRCRTXKKIDU-UHFFFAOYSA-N
-rxn:4:215913:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,AFDWOCDIBJYNRJ-UHFFFAOYSA-N
-rxn:4:215943:223841,Cc1cc(F)c(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,KERKTFYGIMEGKQ-UHFFFAOYSA-N
-rxn:4:215943:223992,Cc1ccc(-c2ccnc(N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,MAYZQKOFMPXXHV-UHFFFAOYSA-N
-rxn:4:215943:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,GITXMDOSNBCSOJ-UHFFFAOYSA-N
-rxn:4:215944:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2F)CC1,NYPDLAKNCDIMLW-UHFFFAOYSA-N
-rxn:4:215945:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(N2CCC(N(C)C)CC2)ccn1,CFEVDGKETKPZFO-UHFFFAOYSA-N
-rxn:4:215953:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2)CC1,PABSEBHRUFAVFE-UHFFFAOYSA-N
-rxn:4:215956:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c2)CC1,IDGLQJXUCQQDJU-UHFFFAOYSA-N
-rxn:4:215956:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,JHLTYWGHCIFUBW-UHFFFAOYSA-N
-rxn:4:215956:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,DWWJQSUKQZQQLI-UHFFFAOYSA-N
-rxn:4:215956:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,PCFUQNDXJQQQSF-UHFFFAOYSA-N
-rxn:4:215959:224660,Cc1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCN(C)CC2)cc1,DKRXPICMHOOKHG-UHFFFAOYSA-N
-rxn:4:215988:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2nc(N3CCCC(C)C3)cc(C(C)(C)C)n2)c1,SRUGTAFDPVYGFC-UHFFFAOYSA-N
-rxn:4:215989:223069,CCCS(=O)(=O)Nc1cccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)c1,UBDVBQBDOXHQRW-UHFFFAOYSA-N
-rxn:4:216218:222537,COc1nc(N2CC3CCCC3C2)ncc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,ZAGPXFXNPIMNGB-UHFFFAOYSA-N
-rxn:4:216245:224304,CN1CCN(C(=O)C(C)(C)C)c2cc(-c3c(F)ccc(O[Si](C)(C)C(C)(C)C)c3Cl)cnc21,HNPQORGFFCRFID-UHFFFAOYSA-N
-rxn:4:216351:225010,CCC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(F)c(CN4CCCCC4)c3)cc12,FHTFZRLZMRAOSU-UHFFFAOYSA-N
-rxn:4:217040:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c[nH]c(N4CCOCC4)n3)cc2F)CC1,PUIQKZXOKBHLOL-UHFFFAOYSA-N
-rxn:4:217214:223842,Cc1nc(N2CCN(C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,WPRFSYOYPHZRCL-UHFFFAOYSA-N
-rxn:4:217889:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,NUXPKVWKNXVYBY-UHFFFAOYSA-N
-rxn:4:217889:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2)CC1,YWXZTRACYPJURI-UHFFFAOYSA-N
-rxn:4:217905:223187,CONS(=O)(=O)c1cccc(-c2ccc3c(c2)C2CC(c4ccc(C)o4)=NN2C2(CCN(C)CC2)O3)c1,QMIJOPUSECFRTI-UHFFFAOYSA-N
-rxn:4:218621:227889,COCCc1ccccc1-c1cnc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc1,GUEVJIFCFPZJEF-UHFFFAOYSA-N
-rxn:4:218630:224751,COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)o2)CC1,PGUUMYIGLLYOGZ-UHFFFAOYSA-N
-rxn:4:218655:224650,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)ccc3OCC3CCOCC3)cn2)CC1,QPRUMHISEWNVFN-UHFFFAOYSA-N
-rxn:4:218686:229161,COc1ncncc1-c1cnccc1N1CCC(OCC#CCN2CCN(C)CC2)CC1,SHIYXLLKMMSBNT-UHFFFAOYSA-N
-rxn:4:218687:223524,COc1ccc2c(c1)c(-c1cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)c1)cn2S(=O)(=O)c1ccc(C)cc1,UPDGJCFHTQXUOY-UHFFFAOYSA-N
-rxn:4:218711:226789,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cnccn4)nc3)CC2)CC1,FROIKRICWKLUCI-UHFFFAOYSA-N
-rxn:4:218718:224485,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3)c(C)nn12,XOSUMPMVTHPBSU-UHFFFAOYSA-N
-rxn:4:218745:223598,O=C(Cn1c(=O)oc2ccccc21)N1CCCC(COc2ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,BWGKDEVNVKELGI-UHFFFAOYSA-N
-rxn:4:218786:227729,Cc1nn(-c2cscn2)cc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,CCZZRADYZLYIPJ-UHFFFAOYSA-N
-rxn:4:218832:222634,O=C(c1cscn1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,OGHVFCVUZLHIBF-UHFFFAOYSA-N
-rxn:4:218867:225182,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCCCC4)c3Cl)c2)no1,CJLJQVYJKXEIQA-UHFFFAOYSA-N
-rxn:4:218867:226158,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3N3CCCCC3)c2)no1,ACTONXKJKKBSCU-UHFFFAOYSA-N
-rxn:4:218868:226174,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C4CCCCC4)nc3)cc2)no1,QDGAEQXTDPJETR-UHFFFAOYSA-N
-rxn:4:218884:224318,CN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)cc2F)CC1,WWVDUOFKKBPKIP-UHFFFAOYSA-N
-rxn:4:218886:224761,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)C1,UAKYWHQZMRSGJU-UHFFFAOYSA-N
-rxn:4:218892:222546,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)C2)nn1,LZXQQUVENWQIDZ-UHFFFAOYSA-N
-rxn:4:218897:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)c2)CC1,IBJVVICCFDBHSY-UHFFFAOYSA-N
-rxn:4:218899:225217,CC1CCCN(c2cc(F)c(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cn2)C1,ITQGSYRSUHPUGC-UHFFFAOYSA-N
-rxn:4:218944:224071,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)cc2[N+](=O)[O-])CC1,KDVZDJDBKGCCRB-UHFFFAOYSA-N
-rxn:4:218945:228347,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCC4)nc3)cncc2[N+](=O)[O-])CC1,VIAGSZUSFIEJQM-UHFFFAOYSA-N
-rxn:4:218976:226374,O=C1C(N2CCC(Oc3ncc(-c4cncnc4C4CCCCC4)cn3)CC2)CCN1CC(F)(F)F,GMKNLNJJCVTSFE-UHFFFAOYSA-N
-rxn:4:218983:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,VYQRTIIKJAXVBI-UHFFFAOYSA-N
-rxn:4:219001:225385,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)C2)C(=O)C1=O,PWRLTMULAIKCCT-UHFFFAOYSA-N
-rxn:4:219002:223903,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccccc4CCC(=O)N4CCC(=O)CC4)cn3)C2)c1=O,MOZYDKVRLQJPTE-UHFFFAOYSA-N
-rxn:4:219053:225975,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccnc(N5CCOCC5)c4Cl)c3)cn2)CC1,CWWZMPGEEQOJIH-UHFFFAOYSA-N
-rxn:4:219120:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)CC1,BTUUONCEKFUESX-UHFFFAOYSA-N
-rxn:4:219353:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N(C)C)CC4)nc3)cc2)CC1,BNSDITGFOKZPOB-YHBQERECSA-N
-rxn:4:219405:225172,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cc(CN4CCOCC4)ccc3F)n2)CC1,KRNFPJXJYFJDNU-UHFFFAOYSA-N
-rxn:4:219451:222896,Cn1cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,NBGIDCMDVJRVBX-UHFFFAOYSA-N
-rxn:4:219471:226473,CSc1ncc(-c2cccnc2OCCN(C)C)c(N2CCOC(C(=O)N3CCCC3)C2)n1,HRPITZXFRWRYPS-UHFFFAOYSA-N
-rxn:4:219473:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)nc1OC,ILFJNLPDZFVOMV-UHFFFAOYSA-N
-rxn:4:219475:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccnc1OC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1,GIHVQQCKOYKUNB-UHFFFAOYSA-N
-rxn:4:219506:224502,CN1CCCCC1COc1cccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)c1,CZRWUBMCODPSOF-UHFFFAOYSA-N
-rxn:4:219506:225636,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)ccn2)CC1,LUCUUMRZUBHLRX-UHFFFAOYSA-N
-rxn:4:219516:226323,CN1CC(CN2CCC(Oc3ncc(-c4ccc(OC5CCCC5)nc4)cn3)CC2)CC1=O,QJPDEZLMRQITSX-UHFFFAOYSA-N
-rxn:4:219523:222648,Cc1cc(C)c(-c2ccccc2C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1NC(=O)OC(C)(C)C,VSEDETURHNKHTR-UHFFFAOYSA-N
-rxn:4:219543:225825,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)CC2)n1,NDZUVCBZOMQNMT-UHFFFAOYSA-N
-rxn:4:219543:225827,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)CC2)n1,ONHZYOBEISZBNL-UHFFFAOYSA-N
-rxn:4:219543:225877,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4N4CCOCC4)cc3)CC2)n1,IDKRIHPWYUKJCK-UHFFFAOYSA-N
-rxn:4:219552:225217,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(N2CCCC(C)C2)cc1F,NJWJITZFSJOWJC-UHFFFAOYSA-N
-rxn:4:219562:225223,CC1CCN(c2cc(F)c(-c3cncc(C(=O)N4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)c3)cn2)CC1,NTXJJHBRDYFKMG-UHFFFAOYSA-N
-rxn:4:219565:225827,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCN(C)CC5)c4)cc3)CC2)n1,UTAJJXCYQYLNJK-UHFFFAOYSA-N
-rxn:4:219565:225867,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(N5CCCCC5)c4)cc3)CC2)n1,CDBZJFZYSQPHKB-UHFFFAOYSA-N
-rxn:4:219627:227610,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3ccn(C4CCCCO4)n3)s1)C2,NKHLHVAGDKVEBJ-UHFFFAOYSA-N
-rxn:4:219653:223059,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCNCC5)cc4Cl)nc3s2)CC1,VQAIXQWFGIFRPE-UHFFFAOYSA-N
-rxn:4:219675:222624,CC(C)Cc1cc(-c2cccc(Cn3nc4ccc(S(=O)(=O)N5CCCC5)cn4c3=O)c2)cc(C2CCNCC2)n1,KFEWFYUDPASZDK-UHFFFAOYSA-N
-rxn:4:219750:222729,CCCc1cc(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc(C2CCCNC2)n1,QLAPWLDMRMGPQE-UHFFFAOYSA-N
-rxn:4:219750:225984,COc1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,OMWMVJKPOJZZLP-UHFFFAOYSA-N
-rxn:4:219759:226490,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(OCCOC)ccc4F)cc2)OC3)CC1,ZWYAVIGVJMPOJT-UHFFFAOYSA-N
-rxn:4:219853:224197,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cc2F)CC1,FTOHLIYJXGKYEQ-UHFFFAOYSA-N
-rxn:4:219853:224325,CC(=O)N1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2C#N)CC1,QQBKDBKNDHXBKA-UHFFFAOYSA-N
-rxn:4:219904:223054,CC(c1ccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)s1)N1CCC(O)C1,OJHODIQOVLFOIX-UHFFFAOYSA-N
-rxn:4:219954:223754,CC1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CCCCC4c4ccnn4C)c3)cc2Cl)CC1,BEZGRSXCURCRES-UHFFFAOYSA-N
-rxn:4:219955:227611,O=C(C1CN(c2ncc(-c3ccnn3C3CCCCO3)cn2)CCO1)N1CCSCC1,YYNUXFALRBOGBC-UHFFFAOYSA-N
-rxn:4:219959:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,YWFLZXNRNLAHGF-UHFFFAOYSA-N
-rxn:4:219959:225889,C[Si](C)(C)CCOCn1nccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,MUIXJVVNPZBRSB-UHFFFAOYSA-N
-rxn:4:219965:224325,Cc1ncnc(N2CCN(C(=O)c3ccccc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)CC2)c1F,XFNKFAZDKRMPCK-UHFFFAOYSA-N
-rxn:4:219985:223845,CCc1cnc(N2CCN(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)CC2)nc1,IVKBBXLNSIYBJW-UHFFFAOYSA-N
-rxn:4:219996:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1,HJLXSIOVIGWZMM-UHFFFAOYSA-N
-rxn:4:220136:225313,CN1CCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(F)n2)CC1,JHADYXSWVKQXNK-UHFFFAOYSA-N
-rxn:4:220137:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,PJTJGOILUGDLED-UHFFFAOYSA-N
-rxn:4:220137:225212,CN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c2)CC1,FDBFVYJKRKNOSM-UHFFFAOYSA-N
-rxn:4:220225:223071,CCS(=O)(=O)NCc1ccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)cc1,FLBKJEBEFHJNLY-UHFFFAOYSA-N
-rxn:4:220267:223569,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5F)cc4)c4ccccc4N23)c1C,BUGAJPMMPIYGJT-UHFFFAOYSA-N
-rxn:4:220422:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ccc(Cl)cc5)CC4)nc3)cc2[N+](=O)[O-])CC1,SZYPNXFPNHSNGY-UHFFFAOYSA-N
-rxn:4:221090:222632,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)cn1,QSWFDQFMQIBFEA-UHFFFAOYSA-N
-rxn:4:221092:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OCC4CCN(CCn5cccn5)CC4)nc3)cn2)CC1,FAJIEHIGRKUZGS-UHFFFAOYSA-N
-rxn:4:221094:224497,CCN1CCN(Cc2ccc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)cc2)CC1,MCGYGWRVQOVKEF-UHFFFAOYSA-N
-rxn:4:221098:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nc5C(F)F)CC4)nc3)c(Cl)c2)CC1,GQBQRYQADIRCRE-UHFFFAOYSA-N
-rxn:4:221109:222714,Cc1ccc(C2CC(c3ccc(-c4cc(NC(=O)OC(C)(C)C)cc(F)c4F)cc3)=NN2C(=O)CSc2nncn2C)cc1,ZOSYIAPQASOIEV-UHFFFAOYSA-N
-rxn:4:221121:222658,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(C(=O)NC6CCCCC6)c5)ccc43)CC2)CC1,OXOQCLPXZAFRMH-UHFFFAOYSA-N
-rxn:4:221121:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,HBPOVVRLZNXROL-YALZGCRRSA-N
-rxn:4:221127:223569,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5F)cc4)nnn3c3ccsc23)CC1,DALGCPMMPNYSBN-UHFFFAOYSA-N
-rxn:4:221152:224759,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,LENUNZXCKALIML-UHFFFAOYSA-N
-rxn:4:221154:224397,N#Cc1ncccc1N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cn2)C1,FYNRHRHBFOIFTL-UHFFFAOYSA-N
-rxn:4:221169:224720,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)cn3)C2)cn1,GKZUTSAIELXEAG-UHFFFAOYSA-N
-rxn:4:221173:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(F)c2)CC1,KHYVTICGCOBMQH-ANRZFKABSA-N
-rxn:4:221175:228390,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)c(Cl)cc4F)cn3)C2)C(=O)C1=O,NOBXEKMXTIGKEY-UHFFFAOYSA-N
-rxn:4:221175:228413,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)c(F)cc4Cl)cn3)C2)C(=O)C1=O,LLTNATCAOLDTDJ-UHFFFAOYSA-N
-rxn:4:221194:223278,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnn(C5CCNCC5)c4)cn3)CC2)cn1C,XTOXKWWDQQWMFJ-UHFFFAOYSA-N
-rxn:4:221240:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)c1,ZOERMINVLABWNX-UHFFFAOYSA-N
-rxn:4:221310:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nncs5)C4)nc3)cc2[N+](=O)[O-])CC1,QFWZNIIJVZJRQJ-UHFFFAOYSA-N
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-rxn:4:221375:222584,Cn1cnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)cc1=O,AIRFGBZCTNTAGX-UHFFFAOYSA-N
-rxn:4:221387:224246,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(C(=O)N5CCC(C)CC5)c(F)c4)cn3)CC2)c1C,ARMRRCJMSPOWMG-UHFFFAOYSA-N
-rxn:4:221394:224681,O=C(c1ccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc1F)N1CCCCC1,QIOJDTHACNXMCC-UHFFFAOYSA-N
-rxn:4:221402:222538,CN(C)c1nccc(N2CCN(Cc3ccccc3-c3cc(C4CCCC4)nc(C4CCNCC4)c3)CC2)n1,PVXNSYGBDLCTJG-UHFFFAOYSA-N
-rxn:4:221410:223979,CN(C)c1cc(N2CCN(Cc3ccc(-c4cc(C(=O)N5CCCCC5)cc([N+](=O)[O-])c4)cc3)CC2)ncn1,OMWMADBTIIHTKC-UHFFFAOYSA-N
-rxn:4:221419:223951,CN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2F)CC1,BQULXCONSJXAAB-UHFFFAOYSA-N
-rxn:4:221426:224751,O=C(c1cc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)ccc1F)N1CCOCC1,KHKYGDBALUYDPU-UHFFFAOYSA-N
-rxn:4:221429:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,DVQHAEHSQNDSMI-UHFFFAOYSA-N
-rxn:4:221435:222684,O=C(c1cccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,LENNNSJNRGWILN-UHFFFAOYSA-N
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-rxn:4:221444:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccccc3CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)cc1,VPESMVMRMKJFJZ-UHFFFAOYSA-N
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-rxn:4:221731:224683,O=C(c1cc(F)cc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c1)N1CCCCC1,ULHOKKVZQQCTGW-UHFFFAOYSA-N
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-rxn:4:221832:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)C1,KZOUGYGMCMRRJC-UHFFFAOYSA-N
-rxn:4:221832:224317,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(F)c2)CC1,ZFZINLDOQPJWCJ-UHFFFAOYSA-N
-rxn:4:221949:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cncc(C(=O)N4CCCC(Cc5nc(-c6cnccn6)no5)C4)c3)c2)CC1,VAXUYZFWDKUIEC-UHFFFAOYSA-N
-rxn:4:221965:227935,CCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)ccc1OC,OLFRMGPJYDLVET-UHFFFAOYSA-N
-rxn:4:221980:225172,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(CN6CCOCC6)ccc5F)c4)sc3n2)CC1,DFXSWFPPXWPEKZ-UHFFFAOYSA-N
-rxn:4:222062:228221,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CC5)c4)cc3)CC2)n1,FHSPMTHYPUVFHM-UHFFFAOYSA-N
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-rxn:4:222084:224489,CC(C)N(Cc1ccc(F)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccccc5)C(=O)C43)n2)cc1)C(C)C,WOJHLQXCHPRBSK-UHFFFAOYSA-N
-rxn:4:222108:222458,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)Nc7cccc([N+](=O)[O-])c7)ccc6F)cc5)no4)C3C2=O)cc1F,ZUDONNMVHSXOIK-UHFFFAOYSA-N
-rxn:4:222108:225294,CCN1CCN(c2ncc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(F)c7)C(=O)C65)n4)cc3)cn2)CC1,HHKPPCSGNVNNTQ-UHFFFAOYSA-N
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-rxn:4:222156:222602,CC(C)Cc1cc(-c2cnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,XJGVNKJXTHGJJF-UHFFFAOYSA-N
-rxn:4:222185:223689,CCN1CCN(S(=O)(=O)c2cc(-c3[nH]nc4ncnc(N5CCN(c6ccccc6OC)CC5)c34)ccc2OC)CC1,IDRRBLJRRCKEDI-UHFFFAOYSA-N
-rxn:4:222249:222588,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(OCCN7CCC(O)CC7)c(F)c6)o5)CC4)ncnc32)cc1,WGVMJBZLIWDFQH-UHFFFAOYSA-N
-rxn:4:222252:222695,CSc1ncc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,UZQWVIJRRCLBIH-UHFFFAOYSA-N
-rxn:4:222296:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ccc6nncn6n5)C4)nc3)ccc2OC)CC1,DBRINCMJZXEQBP-UHFFFAOYSA-N
-rxn:4:222318:223529,Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)c5)CC4)ncnc32)cc1,ZRJGMACWSUBRJE-UHFFFAOYSA-N
-rxn:4:222331:225232,CC1CCN(c2cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cnc2Cl)CC1,XFSIZTVSYIXOMT-UHFFFAOYSA-N
-rxn:4:222335:225215,Cc1cc(N2CCN(c3ncc(-c4ccnc(N5CCC(C)CC5)c4Cl)cn3)CC2)nc(N2CCCC2)n1,NLXDADWVRHSBPD-UHFFFAOYSA-N
-rxn:4:222337:222956,Cc1ccc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)c(C2CCCNC2)c1,HWWSTJOSFCLSEM-UHFFFAOYSA-N
-rxn:4:222339:224325,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)c3)CC2)n1,XUWNZGKTLROVSI-UHFFFAOYSA-N
-rxn:4:222367:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCN(c3ncnc4c3ncn4CC3CCCO3)CC2)nc1,IAXMFRUXJGDAID-UHFFFAOYSA-N
-rxn:4:222387:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)ccc2C)CC1,NENFEUJVMTVQPS-UHFFFAOYSA-N
-rxn:4:222389:207030,CN1CCCC(Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)n2)CC1,GOHZVHUOYKERHD-UHFFFAOYSA-N
-rxn:4:222543:175433,COC(=O)c1cc(C(=O)C(C)C)cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c1,IUNMQXPTZOWWRQ-UHFFFAOYSA-N
-rxn:4:222581:204659,CC(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)c2ccccc12,GZSBDLPNDHWOJL-UHFFFAOYSA-N
-rxn:4:222581:213896,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)c2ccccc12,JQWSESBTRUUJFN-UHFFFAOYSA-N
-rxn:4:222623:204046,CCC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc(C2CCNCC2)n1,JRVFZJWUBYTNPC-UHFFFAOYSA-N
-rxn:4:222632:218970,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)C1,QRGRVFMTBQOXAE-UHFFFAOYSA-N
-rxn:4:222821:204585,CC(C)(C)NS(=O)(=O)c1cc(-c2cnc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)ccc1F,QWGNIADJSDPFFC-UHFFFAOYSA-N
-rxn:4:222891:178154,COc1cc(-c2c(F)c(F)c(COC3CCCCO3)c(F)c2F)cc(C2CCNCC2)n1,OMJMFYLKBBLLSM-UHFFFAOYSA-N
-rxn:4:222942:187597,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,XEUUTKNIZKDBPT-UHFFFAOYSA-N
-rxn:4:222950:174528,CONS(=O)(=O)c1cc(-c2c(OC)ccc(C)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)ccc1OC,HIOCFRVYCPAKTB-UHFFFAOYSA-N
-rxn:4:222971:185535,COC(=O)[C@@H]1Cc2ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)cc2CN1C(=O)OC(C)(C)C,QMALTMWXSGNLPQ-QFIPXVFZSA-N
-rxn:4:223080:204723,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)cc1,YZYLHDCOYVWTTM-UHFFFAOYSA-N
-rxn:4:223521:194304,CC(c1cccc(-c2ccc3c(C(=O)C4CC4)c[nH]c3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NFYFRRQFWZONNQ-UHFFFAOYSA-N
-rxn:4:223570:187909,CC(C)N(C(=O)c1ccc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc2c1)C(C)C,KEJXTUDKDSBXBE-UHFFFAOYSA-N
-rxn:4:223581:203945,COC(=O)c1cccc2cc(-c3ccc(C4=NN(C(C)=O)C(c5ccc(C)o5)C4)cc3)n(C(=O)OC(C)(C)C)c12,IJRYUKWSQZDGKX-UHFFFAOYSA-N
-rxn:4:223830:219960,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ccc(C)nn5)CC4)cc3)ccc2C)CC1,WSUQVNJYINQJLH-UHFFFAOYSA-N
-rxn:4:223920:187961,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3Cl)cc1)CC(C)(C)CC2=O,BTDOEHHJIRAKQG-UHFFFAOYSA-N
-rxn:5:177184:225636:225800,CCOC(=O)c1c(-c2ccc(C(=O)N3CCSC3)cc2)ccc(C)c1-c1ccnc(N2CCC(C)CC2)c1,AESLIJZIRICLLE-UHFFFAOYSA-N
-rxn:5:177184:225800:223062,CCOC(=O)c1c(-c2cnc(C3CCNCC3)cc2F)ccc(C)c1-c1ccc(C(=O)N2CCSC2)cc1,KPODJGURSZGFIZ-UHFFFAOYSA-N
-rxn:5:177185:225982:225632,CC(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cccc(N2CCN(C)CC2)c1,IBCQNSPTHRGLKS-UHFFFAOYSA-N
-rxn:5:177188:225462:226661,CCOC(=O)c1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)c1C,PSAJCQWMWSGMET-UHFFFAOYSA-N
-rxn:5:177190:225805:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,SLFYVDMSYJBOEF-UHFFFAOYSA-N
-rxn:5:177190:225805:223132,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCNCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,KOSWONFRMAXTQY-UHFFFAOYSA-N
-rxn:5:177373:226731:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(OCC2OCCO2)c(-c2ccccc2S(=O)(=O)N(C)C)c1,ISXHYYLKCNGYCT-UHFFFAOYSA-N
-rxn:5:177373:226771:225395,COC(=O)c1cc(F)c(F)cc1-c1cc(-c2cc(C3CC3)cc(C(C)(C)C)c2)ccc1OCC1OCCO1,KGMYTVPOXQJGOP-UHFFFAOYSA-N
-rxn:5:177445:223064:226662,CC(C)=CCOc1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(N2CCN(C)CC2)s1,KFAXDFHGVXXSEO-UHFFFAOYSA-N
-rxn:5:177450:225805:227803,CC(c1ccc(-c2ccc(-c3ccnn3S(=O)(=O)N(C)C)c(OCC3CCC3)c2)s1)N1CCOCC1,RWZJZJLZUOUAAC-UHFFFAOYSA-N
-rxn:5:177729:223113:223054,CC(c1ccc(-c2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,BZRIGSCKBOGSLB-UHFFFAOYSA-N
-rxn:5:177730:225945:226760,COC(=O)c1cc(-c2ccc(-c3ccc(C#CC(F)(F)F)c(F)c3)cc2C(=O)OC(C)(C)C)cc(F)c1F,PKJGLDLDEXEUMH-UHFFFAOYSA-N
-rxn:5:177730:226649:223054,CC(c1ccc(-c2ccc(-c3cccnc3N3CCOCC3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,QRDWOQSCAQXZDX-UHFFFAOYSA-N
-rxn:5:177731:225438:223135,CC(c1ccc(-c2cc(-c3cccnc3C3CCCNC3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,NAHCUOYJBOEWQK-UHFFFAOYSA-N
-rxn:5:177732:223294:225976,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)c(-c2ccnc(N3CCOCC3)c2F)c1,NRNCZZMIFWFIAS-UHFFFAOYSA-N
-rxn:5:177733:223062:225439,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CCNCC4)cc3F)c2)c1)N1CCCC1,UZKMNVZGCDCHEM-UHFFFAOYSA-N
-rxn:5:177734:223131:226662,Cc1cc(-c2ccc(N3CCNCC3)cc2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,ZOYSDMAMGZJIJM-UHFFFAOYSA-N
-rxn:5:177738:225661:225435,COc1cc(-c2ccccc2CN2CCCCC2)c(-c2ccc(N3CCOCC3)cc2C)cc1OC1CCC1,ABOJNFNREKTKJI-UHFFFAOYSA-N
-rxn:5:177739:223018:223018,CC(C)(C)OC(=O)c1cccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1-c1ccc2c(c1)NC(=O)C(C)(C)O2,PPKCVWZKXYNHPR-UHFFFAOYSA-N
-rxn:5:177850:226326:225634,CCOc1ccc(-c2cccc(C3(C#N)CC3)c2F)c(C2OCCO2)c1-c1cnc(N2CCCCC2)c(C)c1,YZIZWSNMBHTURE-UHFFFAOYSA-N
-rxn:5:177851:226182:227803,CCOc1c(-c2cccnc2C2CCCCC2)cc(C2OCCO2)cc1-c1ccnn1S(=O)(=O)N(C)C,IGNOXUOSCYCZTA-UHFFFAOYSA-N
-rxn:5:177891:223134:227501,O=C(SC1CS(=O)(=O)CC1c1ccc(C=C[N+](=O)[O-])cc1)c1ccccc1-c1cnccc1C1CCCNC1,VKQWCCQKTOQQMG-UHFFFAOYSA-N
-rxn:5:177891:223135:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1cccnc1C1CCCNC1,GUVCVLDHOZXQFI-UHFFFAOYSA-N
-rxn:5:177891:223136:223354,CNC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccncc2C2CCCNC2)cc1,STYUMNAQIVIXJR-UHFFFAOYSA-N
-rxn:5:177891:223138:225784,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)nc1)c1ccccc1-c1ccnc(C2CCNCC2)c1,UKNWBHLHROTDJS-UHFFFAOYSA-N
-rxn:5:177891:223139:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCNCC3)nc2)ccc1C1COC1,WMAGIWGAKLKSID-UHFFFAOYSA-N
-rxn:5:177891:223140:227028,N#CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCCNC4)c3)c2)CC1,PWVHLHDPDCXSEP-UHFFFAOYSA-N
-rxn:5:177891:223142:227702,COC(=O)c1cnc(F)c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCNC3)nc2)c1,UDMGDEAQCKSVQX-UHFFFAOYSA-N
-rxn:5:177891:223147:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CNCCO3)cc2)c1,CWHGTIOPBLKMSW-UHFFFAOYSA-N
-rxn:5:177891:223287:227626,CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnc(C3CCOC3)nc2)cc1,ZCWRGBOAQLRRHO-UHFFFAOYSA-N
-rxn:5:177891:223295:223146,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(C3CNCCO3)c2)c1,VPQZEYUGKSVBAN-UHFFFAOYSA-N
-rxn:5:177891:223295:227119,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cc(C3CCCCC3)cs2)c1,UPPSEQIWDAALIK-UHFFFAOYSA-N
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-rxn:5:194058:225607:226583,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCOCC3)s2)s1)N1CCCCC1,SYPITYHKQBDQRS-UHFFFAOYSA-M
-rxn:5:194397:226587:226665,O=C(c1ccc(-c2cnc(C3CCCOC3)nc2)cc1-c1cnc(OC2CCC2)cc1F)N1CC2CC2C1,FORNATVUMBDIAJ-UHFFFAOYSA-N
-rxn:5:194414:223008:226589,CC(C)c1cnc(C(F)F)cc1-c1c(-c2cc(C3CCNCC3)ccc2F)ccc2c1CCN2CC1CC1,XYDRUDVZINWPCG-UHFFFAOYSA-N
-rxn:5:194522:226414:225985,CC(C)CN1CCc2c1ccc(-c1ccc(C3=NCCCO3)cc1)c2-c1cccc(N2CCCS2(=O)=O)c1,LSTFOKBTWJBYOU-UHFFFAOYSA-N
-rxn:5:194561:225616:227199,CN1C(=O)Cc2ccc(-c3ccc(-c4ccccc4C(=O)N4CCCC4)cc3C(=O)N3C4CCC3COC4)cc21,GCAFVKUSIHTVKO-UHFFFAOYSA-N
-rxn:5:194575:223018:226059,CC(C)c1ccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc4c(c2)NC(=O)C(C)(C)O4)C3)c(C(C)C)c1,OPUNEBYXBSUUMT-UHFFFAOYSA-N
-rxn:5:194688:225976:225834,COc1cc(-c2cc(N3CCCCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3ccnc(N4CCOCC4)c3F)cc1)C2,WQXGVAGEZDSLRT-UHFFFAOYSA-N
-rxn:5:194688:226898:225591,COc1cc(-c2cc(CN3CCCC3)ccc2F)cc2c1OCC(=O)N(c1ccc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc1)C2,PNBWOYQRESMLPY-UHFFFAOYSA-N
-rxn:5:194767:225980:225833,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCOCC5)ncc4F)ccc3-c3ccnc(N4CCCCC4)c3F)C2)c2ccccc21,GRQCVZMNXFTARO-UHFFFAOYSA-N
-rxn:5:194767:228139:227773,COc1cc(C#N)cc(-c2ccc(-c3cccnc3OC(F)(F)F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1,MLJKURCREAFTQK-UHFFFAOYSA-N
-rxn:5:194792:223377:226731,CN(C)S(=O)(=O)c1ccccc1-c1ccc(N2C(=O)C3C(c4ccc(-c5cnc6c(c5)CC(=O)N6)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,WPZUYNQVRVLLCV-UHFFFAOYSA-N
-rxn:5:194792:228554:228890,CCOc1ccccc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cnc(F)c(C#N)c5)cc4)C(=O)C23)cc1,MXKLLJRGMPXIDB-UHFFFAOYSA-N
-rxn:5:194792:228860:226333,O=C(c1cccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cccc7nonc67)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1)N1CCC1,HGDZPDWYTLICCT-UHFFFAOYSA-N
-rxn:5:196188:222998:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCC2)c(-c2cc(F)cc(C3CCCNC3)c2)c1,VFCISPCSZRVVIO-UHFFFAOYSA-N
-rxn:5:196408:223063:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,YARUHVLOOOGMOD-UHFFFAOYSA-N
-rxn:5:196408:223173:225607,CC(c1ccc(-c2ccc(C3=NOCCO3)c(-c3ccc4c(c3)C(O)CS4(=O)=O)c2)s1)N1CCCCC1,HKOBCYRFUNELQH-UHFFFAOYSA-N
-rxn:5:196408:225832:225407,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1C1=NOCCO1,QZHNBHOUIKSDAR-UHFFFAOYSA-N
-rxn:5:196670:225832:225633,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2ccc(N3CCCCCC3)nc2)c1C1CCCC1,XYCFCCCCLRZTJT-UHFFFAOYSA-N
-rxn:5:196789:225978:223006,O=C1COCCN1c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(F)c(C2CCNCC2)c1,IDTQAIFURJIKJB-UHFFFAOYSA-N
-rxn:5:196789:226679:223065,O=C1COCCN1c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1F,CXNSHISLFYTPFM-UHFFFAOYSA-N
-rxn:5:196791:225655:223065,CC1CCN(c2cncc(-c3cccc(N4CCOCC4=O)c3-c3ccc(N4CCNCC4)cc3F)c2)CC1,SHWYTMHCOPVGOI-UHFFFAOYSA-N
-rxn:5:196793:225622:226137,CC(C)c1ncc(C2CC2)cc1-c1cc(N2CCOCC2=O)ccc1-c1ccccc1OC1CCCCO1,GBFFURXPHSRQTN-UHFFFAOYSA-N
-rxn:5:196858:222981:222956,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccnc(NC3CCCCC3)c2)c(C2CCCNC2)c1,DDMCDLRIJJQLLM-UHFFFAOYSA-N
-rxn:5:196858:223063:222986,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(F)nc(C3CCNCC3)c2)cc(C2CCCNC2)n1,ZUHLJNIBBWTUTP-UHFFFAOYSA-N
-rxn:5:196859:222985:222960,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCCNC3)nc2C)cc(C2CCNCC2)c1,LEVSGVBCSWWBIY-UHFFFAOYSA-N
-rxn:5:196917:226420:225985,CC1(C)COC(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2ccc(F)c(N3CCCC3)c2)=N1,DYXBXQSKSYYSOE-UHFFFAOYSA-N
-rxn:5:196919:223018:226062,CC(C)c1cc(-c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2C2=NC(C)(C)CO2)cc(C(C)C)c1,GDLASPRQLZVSKE-UHFFFAOYSA-N
-rxn:5:196919:225576:225985,CC1(C)COC(c2ccc(-c3ccc(N4CCCC4)c(C#N)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,IGWSLWSEZSALRL-UHFFFAOYSA-N
-rxn:5:196969:223004:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2CCNCC2)c(F)c1,ARPJFLQIIKGWSW-UHFFFAOYSA-N
-rxn:5:196969:225677:222986,Cc1cc(-c2cc(C3CCCCC3)ncc2-c2ccc(C3CCCCC3)nc2F)cc(C2CCCNC2)n1,ZETIRISJBMDGIQ-UHFFFAOYSA-N
-rxn:5:196971:226654:222958,Cc1ccc(-c2cc(-c3csc(N4CCC(C)CC4)n3)ncc2C2CCCCC2)cc1C1CCNCC1,JEQGIGCRQGXUSN-UHFFFAOYSA-N
-rxn:5:196977:223173:225607,CC(c1ccc(-c2cc(N3CCCCC3)ccc2-c2ccc3c(c2)C(O)CS3(=O)=O)s1)N1CCCCC1,AWMNJZQMDZLECJ-UHFFFAOYSA-N
-rxn:5:196977:225441:225985,CC(C)(C)c1ncc(C2CC2)cc1-c1ccc(N2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,MNSJBYNXLMSAAW-UHFFFAOYSA-N
-rxn:5:196977:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1cncnc1C1CCCCC1,FLYCANQIGVLYON-UHFFFAOYSA-N
-rxn:5:196978:223173:225607,CC(c1ccc(-c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2N2CCCCC2)s1)N1CCCCC1,RPUHWJOCRRBHSK-UHFFFAOYSA-N
-rxn:5:196978:225985:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCCC1,UOEZJAAMKRLMDG-UHFFFAOYSA-N
-rxn:5:196979:225441:225985,CC(C)(C)c1ncc(C2CC2)cc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)cc(N2CCCCC2)c1,SEDUXTXYFCIFTA-UHFFFAOYSA-N
-rxn:5:196979:225607:223173,CC(c1ccc(-c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)cc(N3CCCCC3)c2)s1)N1CCCCC1,IAKHSGAIBOSORU-UHFFFAOYSA-N
-rxn:5:197876:225498:227970,CC(C)(C)c1cnccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SMDJFMIODZBPFJ-UHFFFAOYSA-N
-rxn:5:197884:225874:225868,Cc1ccc(N2C(=O)c3ccc(-c4ccc(N5CCOCC5)c(F)c4)cc3C2=O)cc1-c1ccc(F)c(N2CCOCC2)c1,CSRAXQLYIKYALK-UHFFFAOYSA-N
-rxn:5:222985:183189:223058,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2cc(F)nc(C3CCCNC3)c2)cc2c1OC(C)(C)OC2,SRSQUVJOYGRNLW-UHFFFAOYSA-N
-rxn:5:223065:193870:228595,CCc1ncc(C)cc1-c1cc(-c2ccc(N3CCNCC3)cc2F)c(C)cc1S(=O)(=O)N1CCCCC1,DJLWQSDYYVDAPT-UHFFFAOYSA-N
-rxn:5:225639:181904:222960,Cc1cc(-c2c(-c3cccnc3N3CCC(C)CC3)ccc(C3OCCO3)c2C)cc(C2CCNCC2)c1,IBMRHGRCPRLJPA-UHFFFAOYSA-N
-rxn:5:225653:181908:222985,Cc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2ccc(C3CCCNC3)nc2C)cc1C1OCCO1,KIRAXVUGOWXKKH-UHFFFAOYSA-N
-rxn:5:225677:178467:228156,CCOC(=O)C1=Cc2cc(-c3cc(OC)ccc3OC)cc(-c3ccc(C4CCCCC4)nc3F)c2OC1,HPMKYWMFUUINQA-UHFFFAOYSA-N
-rxn:5:225684:181906:225639,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,DETSKYYBLNHBGM-UHFFFAOYSA-N
-rxn:5:225809:180022:227611,COc1c(-c2ccnn2C2CCCCO2)ccc(-c2cc(F)ccc2OC2CCOC2)c1C1OCCO1,OPODBWXIRTVYJC-UHFFFAOYSA-N
-rxn:5:225821:189207:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CC3)c(C(F)(F)F)c2)ccc1-c1ccc(S(=O)(=O)O)cc1,AVMOUCDCBVEGTB-UHFFFAOYSA-N
-rxn:5:225832:183189:223062,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)cc2c1OC(C)(C)OC2,BCPFNRKMAHGJGL-UHFFFAOYSA-N
-rxn:5:225832:196858:223000,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1ccc(C2CCCNC2)c(F)c1,BMUNNHVRZVGOJJ-UHFFFAOYSA-N
-rxn:5:225832:196859:223148,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccccc1C1CNCCO1,JPWDNQCSEITEHL-UHFFFAOYSA-N
-rxn:5:225832:196859:226067,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2=CCCCC2)cc1,NLKPQWOKTUBKAU-UHFFFAOYSA-N
-rxn:5:225832:196978:223137,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2cncc(C3CCCNC3)c2)c1,UKRMFPSKWOLOPN-UHFFFAOYSA-N
-rxn:5:225833:179629:226427,COc1ccc(-c2ccnc(N3CCCCC3)c2F)c(S(C)(=O)=O)c1-c1cc(N2CCC(C)CC2)cs1,WIUHDSVLWUKKFZ-UHFFFAOYSA-N
-rxn:5:225985:183227:225638,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc4c3OCCC4(C)C)cn2)CC1,SJIUHTGHQZONPM-UHFFFAOYSA-N
-rxn:5:225985:196977:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc(N2CCCCC2)ccc1-c1cccc(N2CCCS2(=O)=O)c1,ZNUVBRDSEBSZBP-UHFFFAOYSA-N
-rxn:5:225986:192566:225638,CC1CCN(c2ccc(-c3cc(-c4ccccc4N4CCCS4(=O)=O)cc(C4(C#N)CCC4)c3)cn2)CC1,WCYXHNLKMCKQQW-UHFFFAOYSA-N
-rxn:5:225986:192566:225639,CC1CCN(c2ncccc2-c2cc(-c3ccccc3N3CCCS3(=O)=O)cc(C3(C#N)CCC3)c2)CC1,AXRQREMNMKSPMT-UHFFFAOYSA-N
-rxn:5:225986:192571:225849,O=C(c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cnc(N2CCCCC2)cc1F)N1CCC1,GSTYVEITUIBXNE-UHFFFAOYSA-N
-rxn:5:225986:193464:227387,N#CC1(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccnc(N3CCCC3)c2)CCCCC1,SWJDOPWVOZJRED-UHFFFAOYSA-N
-rxn:5:225986:193464:228193,N#CC1(c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2cnn(C3CCCC3)c2)CCCCC1,INYGDAORCMLXDD-UHFFFAOYSA-N
-rxn:5:225986:196979:225576,N#Cc1cc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)cc(N3CCCCC3)c2)ccc1N1CCCC1,BKIOSNPZEOZBBR-UHFFFAOYSA-N
-rxn:5:226058:178295:227103,COC(=O)C1(c2cc(-c3sccc3C3CCCCC3)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,AVDJKKDCUUVPBK-UHFFFAOYSA-N
-rxn:5:226058:178295:228911,COC(=O)C1(c2cc(-c3ccc(OC)nc3F)ccc2-c2c(C(C)C)cccc2C(C)C)CCC(=O)CC1,SRSSWAITHXHENS-UHFFFAOYSA-N
-rxn:5:226067:178295:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C3=CCCCC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,VTLJXYGTJQTNHD-UHFFFAOYSA-N
-rxn:5:226177:180022:223002,COc1c(-c2ccc(C3CCNCC3)cc2F)ccc(-c2ccnc(C3CCCCC3)c2)c1C1OCCO1,WJWHPTMEWXCYKL-UHFFFAOYSA-N
-rxn:5:226181:193870:228108,CCc1ncc(C#N)cc1-c1cc(-c2ccc(C3=CCCCC3)nc2)c(C)cc1S(=O)(=O)N1CCCCC1,WSWZUPJJIVBIJA-UHFFFAOYSA-N
-rxn:5:226190:178295:227941,COCc1cc(C)cc(-c2ccc(-c3ccc(C4CCCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FKVNBJZOMALISP-UHFFFAOYSA-N
-rxn:5:226191:178295:228697,COCc1cc(-c2ccc(-c3cc(C4CCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,MHLVTIVUFZRZGK-UHFFFAOYSA-N
-rxn:5:226322:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,DMSYTKMRCPXRJJ-UHFFFAOYSA-N
-rxn:5:226412:196919:225985,CC1(C)COC(c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,DDXOHKOGUSUHMY-UHFFFAOYSA-N
-rxn:5:226420:196919:225985,CC1(C)COC(c2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,MYLHBYPOVVVPLD-UHFFFAOYSA-N
-rxn:5:226601:178295:227933,CCc1ccc(OC)cc1-c1ccc(-c2c(OC(C)C)ccc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,LZKLEFZMNCUROG-UHFFFAOYSA-N
-rxn:5:226610:189718:223388,CCc1cc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccc(S(=O)(=O)O)cc2)cc(C(F)(F)F)c1,GWYVQMZBGOZPCN-UHFFFAOYSA-N
-rxn:5:226662:193972:229126,Cc1cc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCN(C)CC4)s3)cc2C)cn1,UVFJHFUBEALRMS-UHFFFAOYSA-N
-rxn:5:226686:180022:226432,COc1c(-c2ccc(C3CCCC3)nc2F)ccc(-c2c(C)cnn2C2CCCCO2)c1C1OCCO1,QLEGAHMXMSPMIF-UHFFFAOYSA-N
-rxn:5:226686:181906:222956,Cc1ccc(-c2c(C)ccc(-c3c(C)cnn3C3CCCCO3)c2C2OCCO2)c(C2CCCNC2)c1,FCGWUPIZDYTOJJ-UHFFFAOYSA-N
-rxn:5:226686:181908:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2c(C)cnn2C2CCCCO2)cc1C1CCNCC1,AIXJYEDNYLXJKU-UHFFFAOYSA-N
-rxn:5:226686:181908:225677,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(C3CCCCC3)nc2F)cc1C1OCCO1,QNUSBGLUEWIGSD-UHFFFAOYSA-N
-rxn:5:226742:190859:228623,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C#N)cc1C(F)(F)F)c2-c1sccc1C1CCC1,DWOUKXXAOCZOIV-UHFFFAOYSA-N
-rxn:5:226910:178295:227544,CCC(C)(C)c1ccc(-c2ccc(-c3cc(F)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,DNNNWDPCLFSJDW-UHFFFAOYSA-N
-rxn:5:226911:178295:227352,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C)ccc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,PVAAORCRJZAJCB-UHFFFAOYSA-N
-rxn:5:226912:178295:223358,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3)ccc2-c2cc(C)cc(CC(C)C)c2)CCC(=O)CC1,WMJQFEWCDWQJBC-UHFFFAOYSA-N
-rxn:5:226913:178295:228255,CCc1cc(-c2ccc(-c3ccc(C)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc(C2CC2)c1,IZTRVDPSVOXGSR-UHFFFAOYSA-N
-rxn:5:226916:178295:228258,COC(=O)C1(c2cc(-c3c(C)ccc(F)c3OC)ccc2-c2cccc(C3=CCCC3)c2)CCC(=O)CC1,BFGCJNMXSZAHLV-UHFFFAOYSA-N
-rxn:5:226917:178295:227313,CCC(C)c1cc(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,PHQLQFGZQZDQCP-UHFFFAOYSA-N
-rxn:5:226920:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QKEUWKVJNLABDM-UHFFFAOYSA-N
-rxn:5:226920:178295:227943,COC(=O)C1(c2cc(-c3cc(C)ccc3N(C)C)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,CZTWVGFETRJIOT-UHFFFAOYSA-N
-rxn:5:226922:178295:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2c(C)cc(C3CC3)cc2C)CCC(=O)CC1,GKSBFDLRSJXOMX-UHFFFAOYSA-N
-rxn:5:226959:178295:227978,COC(=O)C1(c2cc(-c3cc(C(C)C)ccc3F)ccc2-c2ccc3c(c2)CC(C)(C)O3)CCC(=O)CC1,YORIRJWQSUGFDN-UHFFFAOYSA-N
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-rxn:5:228999:193972:226662,C#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCCC2)c1,IFGYEWNMWQEWET-UHFFFAOYSA-N
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-rxn:5:229022:193972:226662,Cc1cc(-c2cncc(C)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,OLZSUBOQWCHBEL-UHFFFAOYSA-N
-rxn:5:229106:193972:226662,Cc1cnc(F)c(-c2cc(C)c(-c3ccc(N4CCN(C)CC4)s3)cc2S(=O)(=O)N2CCCCCC2)c1,JGHUQVFOAVZHEF-UHFFFAOYSA-N
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-rxn:4:174564:224720,COC(=O)C12CC(COc3cc(C)cc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)c3)(C1)C2,KQVPUMHSZSKHAS-UHFFFAOYSA-N
-rxn:4:174608:224936,COc1ccc(-c2ccc(CC(=O)OC(C)(C)C)cc2)cc1C=C1Oc2cc(OCC(C)=O)ccc2C1=O,DXZZESXASITAND-UHFFFAOYSA-N
-rxn:4:174624:224877,COc1ccc(-c2ccc(COC3CCCCC3)cc2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,AWVKVYBMBNQUIB-UHFFFAOYSA-N
-rxn:4:174656:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cccc4cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)c2)C1,SMFMTFVCHPCUNS-UHFFFAOYSA-N
-rxn:4:174663:223167,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1,RHZNTORNHZDGMF-AMNGXLNPSA-N
-rxn:4:175192:223728,CCCCCC1CCC(c2ccc(-c3cc(OC)c(C(=O)OC)c(OC)c3)c(F)c2)CC1,QQVYSDVETWBFLH-UHFFFAOYSA-N
-rxn:4:175409:223689,CCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(CC)CC3)c2)cc(Cl)c1OC(C)C,AVRILMAMEYWGJR-UHFFFAOYSA-N
-rxn:4:176018:222546,COc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(F)cc1OCC1CCCCC1,JEKBROIWEMZKQZ-UHFFFAOYSA-N
-rxn:4:176018:224080,COc1cc(-c2ccc(OCCCN3CCCCC3)cc2)c(F)cc1OCC1CCCCC1,JITLEWPRVVIVKI-UHFFFAOYSA-N
-rxn:4:176050:224589,COc1cc(C2OCCCO2)c(-c2ccc(F)cc2CN2CCC(C)CC2)c(OC)c1OC,UQTZOJIWZURPNI-UHFFFAOYSA-N
-rxn:4:176050:225218,COc1cc(C2OCCCO2)c(-c2cnc(N3CCCC(C)C3)c(Cl)c2)c(OC)c1OC,GPHJQPMTDPKRSY-UHFFFAOYSA-N
-rxn:4:176128:222394,COc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)cc1O[Si](C)(C)C(C)(C)C,ZTMFIZBKRSQRTP-HZCBDIJESA-N
-rxn:4:176235:223788,CC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)c1)C2=O,RMELHFKKXLCRAX-UHFFFAOYSA-N
-rxn:4:176262:222545,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)c1)C2=O,MLVITZAVKYDCBC-UHFFFAOYSA-N
-rxn:4:176293:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C=C2Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1,MLRNJPHPKQUXQC-UHFFFAOYSA-N
-rxn:4:176314:223497,CC(c1ccc(-c2cccc(C=C3C(=O)c4c(Oc5ccc(Cl)cc5)cccc4C3c3ccccc3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,IJLPDUVRZPXQKN-UHFFFAOYSA-N
-rxn:4:176324:224162,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1,OAWMTUPTNYQHMK-UHFFFAOYSA-N
-rxn:4:177071:223527,CCC(=O)c1ccc(C(F)(F)F)c(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,DZAQQPOPUGVYCE-UHFFFAOYSA-N
-rxn:4:177209:223562,CCOC(=O)c1c(F)cc(C)cc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,UTDNOKUVUCQZIP-UHFFFAOYSA-N
-rxn:4:178183:224252,CC1CCCN(C(=O)c2ccc(-c3cc(F)c(OC(C)C)c(C4OCCO4)c3)cc2F)C1,TUPPZVJVXUIIRA-UHFFFAOYSA-N
-rxn:4:178292:224420,COC(=O)C1(c2cccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)c2)CCC(=O)CC1,LYKGRGGIHDWZJI-UHFFFAOYSA-N
-rxn:4:178332:223559,COc1c(C)cc(C(=O)c2ccccc2-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C,TVVKDKPWUMQNSB-UHFFFAOYSA-N
-rxn:4:178371:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)c1,CVYIJSZCWWQHOX-UHFFFAOYSA-N
-rxn:4:178381:223887,Cc1c(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)n(C(=O)OC(C)(C)C)c2ccccc12,SYUQLPSGTRFYLJ-UHFFFAOYSA-N
-rxn:4:178384:222957,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C2CCCNC2)c1,AXLWBOSHGSIUAD-UHFFFAOYSA-N
-rxn:4:178384:225646,Cc1cn(-c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(C)c2)cn1,LHGQYKXYZSXDBI-UHFFFAOYSA-N
-rxn:4:178384:227346,CCCc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,PEBSQXJMYBULNG-UHFFFAOYSA-N
-rxn:4:178384:228459,COc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(SC)n1,IVZTZEWRMYIFIB-UHFFFAOYSA-N
-rxn:4:178384:228783,COc1ccc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,CLPNCRSGICORNC-UHFFFAOYSA-N
-rxn:4:178384:229043,Cc1ccc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,XOINJRAJTFYGQQ-UHFFFAOYSA-N
-rxn:4:178438:223712,CCOC(=O)C1Cc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2O1,WNDMIFOFTVCKIT-UHFFFAOYSA-N
-rxn:4:178498:222700,CCOC(=O)C1CCc2cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)ccc2C1=O,KCKXSZWAKFJPHU-UHFFFAOYSA-N
-rxn:4:178597:226914,Cc1cc(CC(C)C)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,KPUHCFTXGWMJGB-UHFFFAOYSA-N
-rxn:4:178597:227118,Cc1c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(Cl)cc1C1CC1,IPERBMBDNAYDEF-UHFFFAOYSA-N
-rxn:4:178597:228306,CC(C)Sc1ncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cn1,VKKINIPNFWKBGM-UHFFFAOYSA-N
-rxn:4:178597:229105,Cc1nc(Cl)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,VAKUKSOXINIABW-UHFFFAOYSA-N
-rxn:4:178597:229121,Cc1c(F)cncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,HXTBFPOKKGYTNY-UHFFFAOYSA-N
-rxn:4:178598:225125,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(F)ccc2OCC2CCOC2)c1,JLUGRZOGXXWHPP-UHFFFAOYSA-N
-rxn:4:180025:223590,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c(C2OCCO2)c1F,IUBGEHFUONNEJK-UHFFFAOYSA-N
-rxn:4:180447:224244,CC1CCN(C(=O)c2cc(-c3ccccc3CC3C(=O)OC(C)(C)OC3=O)ccc2Cl)CC1,RUIDWYBQOSDFIW-UHFFFAOYSA-N
-rxn:4:180505:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cc(C4CC4)cc(C4CCCCO4)c3)c2)CC1,JVEBZYPRUJFJQN-UHFFFAOYSA-N
-rxn:4:180643:222466,COC(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c2c1OCCO2,KEPWKCHEQCFKAR-UHFFFAOYSA-N
-rxn:4:180680:223712,COC(=O)C1SCc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2C1=O,BCAAUESNSWJEJP-UHFFFAOYSA-N
-rxn:4:180792:223881,CCOC1CCC2(CC1)Cc1ccc(-c3cc4ccc(C)cc4n3C(=O)OC(C)(C)C)cc1C2=O,YFLVGSFQQUBLEH-UHFFFAOYSA-N
-rxn:4:180792:223972,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(N4CCCCC4C)cc3C(F)(F)F)cc1C2=O,ZOBILHVUDYBUNT-UHFFFAOYSA-N
-rxn:4:180792:224127,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)cc1C2=O,YXOUYIFOLHVEID-UHFFFAOYSA-N
-rxn:4:180792:224846,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C4CCC(CC)CC4)cc3)cc1C2=O,GBFYALOLLNHZDC-UHFFFAOYSA-N
-rxn:4:180792:225319,CCOC1CCC2(CC1)Cc1ccc(-c3cc(F)c(F)c(N4CCOCC4)c3)cc1C2=O,YSURSNHDKKGXHV-UHFFFAOYSA-N
-rxn:4:181241:223505,CC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,SVANTKQVWMWTTP-UHFFFAOYSA-N
-rxn:4:182261:223503,COc1ccc2c(c1-c1c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc1F)CCCO2,AHJGOZZZLFVXGV-UHFFFAOYSA-N
-rxn:4:182352:223743,COc1cc2c(cc1-c1ccc(C)c(OCCCN3CCC(C)CC3)c1)CCC(=O)C2(C)C,WSBYZDJKNLLKHZ-UHFFFAOYSA-N
-rxn:4:182367:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)C(=O)C1(CCC(C(F)F)CC1)C2,FMYNWZOROMCSRC-UHFFFAOYSA-N
-rxn:4:182374:222781,CC(=O)c1cc2c(cc1-c1cnc(C)cc1NC(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,CHUXRFIQJWMUTD-UHFFFAOYSA-N
-rxn:4:182376:225054,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCCC5C)cc4Cl)cc3C2=O)C[C@@H]1C,ILTKKXVVNZBOCR-VVIRAPSZSA-N
-rxn:4:183274:227840,Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1C1CC1,GMPURRSVLQWXET-UHFFFAOYSA-N
-rxn:4:183534:224306,CCOC(=O)Cc1cc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1C#N,RGOIJUBAHOGXHT-UHFFFAOYSA-N
-rxn:4:183549:222705,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cc(C2CCNCC2)cc(C(F)(F)F)c1,SIZZGJBGZVLCBM-UHFFFAOYSA-N
-rxn:4:183635:223902,CCN(CC)C(=O)c1ccc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)cc1OC(F)(F)F,IWIXPPIUQYUPBH-UHFFFAOYSA-N
-rxn:4:183660:223818,CCN(CC)Cc1cc(OC(F)(F)F)cc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)c1,GITGCBWGJPAGAB-UHFFFAOYSA-N
-rxn:4:183672:225546,CCN(CC)S(=O)(=O)c1cc(-c2c(OC)cccc2OCC(C)C)ccc1OC(F)(F)F,GTOFFSPHDVCIKV-UHFFFAOYSA-N
-rxn:4:183745:223835,COC(=O)CSC1CCN(C(=O)c2cccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c2)C1,KXPCFGIBTOJPTI-UHFFFAOYSA-N
-rxn:4:183777:222615,CCCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)c1,GNYIDNFDYUMVHK-UHFFFAOYSA-N
-rxn:4:183782:224425,CCCC1CCC(c2ccccc2-c2cccc(CN(CC)C(=O)OC(C)(C)C)c2)CC1,KJUGIHVYWQFKBI-UHFFFAOYSA-N
-rxn:4:183823:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1,QWSURNSXKBNOAS-UHFFFAOYSA-N
-rxn:4:183875:223563,COc1cc(COc2c(C)cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cc2C)cc(OC)c1,ZTNPOLVAMIZNMG-UHFFFAOYSA-N
-rxn:4:183942:227468,CCN(CC)c1ncc(-c2ccc(OC)cc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)cn1,AGPKJXFDSHTOPS-UHFFFAOYSA-N
-rxn:4:183960:222730,CCCc1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)cc(C2CCNCC2)n1,SEDWLZRFCGTDCJ-UHFFFAOYSA-N
-rxn:4:183968:223045,CC(C)NC(=O)c1ccc(F)c(-c2cc(F)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)c1,VFZXVQSWAJJLMO-UHFFFAOYSA-N
-rxn:4:183970:223185,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CNCCO4)nc3)ccc2OC)CC1,DIPVEKPJKMUEBE-UHFFFAOYSA-N
-rxn:4:183998:223737,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(C(c3ccccc3)N3CCCC3)cc2)cc1F)C1CCCC1,ACEHRWOPXKRVJH-UHFFFAOYSA-N
-rxn:4:184004:225366,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(C(C)(F)F)cc4C(F)(F)F)cc3)SC2=S)cc1OC,HNEGRFDZCICJHC-UHFFFAOYSA-N
-rxn:4:184033:223815,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cc2)C1,QZVJTERVXYCOIL-UHFFFAOYSA-N
-rxn:4:184042:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(COCc4ccc(F)cc4)CC3)c2)cc1,KSOQIRXDWRHPGG-UHFFFAOYSA-N
-rxn:4:184042:223041,O=C(NC1CC1)c1ccc(F)c(-c2ccc(Cl)c(C(=O)N3CCC(COCc4ccc(F)cc4)CC3)c2)c1,HTKWPWMCGUQRSF-UHFFFAOYSA-N
-rxn:4:184070:228577,CC#Cc1cncc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(C)c2)c1,WFIGTSNUCFNHOG-UHFFFAOYSA-N
-rxn:4:184095:222801,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO[Si](C)(C)C(C)(C)C)cc2)cc1S(=O)(=O)NC(C)(C)C,IIHRFYNZNCZLLZ-XMMPIXPASA-N
-rxn:4:184099:223013,COC(=O)c1ccc2cc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)[nH]c2c1,AWGGUPYSXZXGNL-UHFFFAOYSA-N
-rxn:4:184156:223035,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cccnc1NC(=O)C(C)(C)C)C2=O,FXLLWOVQGUIIAL-UHFFFAOYSA-N
-rxn:4:184177:222880,CC(C)(C)OC(=O)N1CC(COc2cc(-c3cc(Cl)ccc3NC(=O)C(C)(C)C)c3ccccc3c2)C1,WBAMCGNNQHQYSK-UHFFFAOYSA-N
-rxn:4:184177:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc2ccccc12,IFHAFCXWLNOVKU-UHFFFAOYSA-N
-rxn:4:184209:223588,Cc1ccc2nc(-c3ccccc3)c(C)c(C(=O)OCC(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)c2c1,KJRUYLFNVSVEJV-UHFFFAOYSA-N
-rxn:4:184237:223812,CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1,PJTBNCQOSVYXNW-UHFFFAOYSA-N
-rxn:4:184357:223920,CCOC(=O)Cc1c(C#N)cc(F)cc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1Cl,DWYKHSDDBOFWPV-UHFFFAOYSA-N
-rxn:4:184376:222538,CCOC(=O)Cc1c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)ccc(F)c1C#N,VFMPNMIYYPFZBU-UHFFFAOYSA-N
-rxn:4:184450:224129,COC(=O)Cc1ccc(C(F)(F)F)c(-c2cccc(C(=O)N(C)C3CCCCC3)c2)c1C#N,QLQKFQMQGYZRQP-UHFFFAOYSA-N
-rxn:4:184659:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC)cnc3OCC3CC3)cc2)CC1,GNSAQDAPOPCIBY-UHFFFAOYSA-N
-rxn:4:184748:225543,CCCCC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)(F)F)c2)c1,SRBJSHZWZMGKCG-UHFFFAOYSA-N
-rxn:4:184840:222636,CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(C(F)(F)F)c1,BFZUGINEEYJNSW-MRXNPFEDSA-N
-rxn:4:184882:224267,O=C(Cc1ccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc1OC(F)(F)F)N1CCCC1,ZFMUSYXTXNCQOB-UHFFFAOYSA-N
-rxn:4:184897:222723,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)o1)N1CC(S(=O)(=O)Cc2ccco2)C1,NKJTVOSEFXWABI-UHFFFAOYSA-N
-rxn:4:184903:223846,Cc1cc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)cc(C2CC3CCC2(C)C3(C)C)c1,LGDASFUTCYQGAS-UHFFFAOYSA-N
-rxn:4:184950:224571,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)cc2)c(F)c1,HOTXMRSMLHQLGQ-UHFFFAOYSA-N
-rxn:4:185005:222890,COc1cc(-c2ccc(OCC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc(C2CCCNC2)n1,TUBVITBZSUZRJG-UHFFFAOYSA-N
-rxn:4:185045:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3Cl)cc2)CC1,VNVGCQOLEVJJOL-UHFFFAOYSA-N
-rxn:4:185116:225423,CN(C)CCCCc1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)cc1,HQWFHVVZJAQHFW-UHFFFAOYSA-N
-rxn:4:185138:224420,COC(=O)C1CCN(CCc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc2F)CC1,WSPXSGVNFCGYOA-UHFFFAOYSA-N
-rxn:4:185144:223008,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)ccc3F)cc2)CC1,JWXPKOAZHKXBAI-UHFFFAOYSA-N
-rxn:4:185145:223005,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)c(Cl)c3)cc2)C1,RNRMFWYGNATIGY-UHFFFAOYSA-N
-rxn:4:185224:228356,COc1cc(-c2cnc(Cl)nc2C(C)C)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,XFCNSFFWBBEDHW-UHFFFAOYSA-N
-rxn:4:185235:223880,COc1cc(C=C2N=C(c3ccc(-c4cc5cc(C)ccc5n4C(=O)OC(C)(C)C)cc3)OC2=O)ccc1OC(C)=O,UOZAGHAYGXYRRV-UHFFFAOYSA-N
-rxn:4:185266:222537,CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1,DJRSMOPRQQLSLY-UHFFFAOYSA-N
-rxn:4:185316:225544,COc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C2CC2)cc1OCC(C)C,XWZTVHPZDMSMLN-UHFFFAOYSA-N
-rxn:4:185398:222648,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cc(NC(=O)OC(C)(C)C)c(C)cc2C)c1,GTMRIADCYZKKKS-UHFFFAOYSA-N
-rxn:4:185414:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(Cl)cc(C)c1OC1CCN(C(=O)OC(C)(C)C)CC1,ZCSCTCBBUUPWLL-UHFFFAOYSA-N
-rxn:4:185440:228418,COc1c(F)cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc1Cl,BJOIUMJZZATWNS-UHFFFAOYSA-N
-rxn:4:185538:224172,Cc1cccc(OCCCN2C(=O)C(=O)c3cc(-c4cccc(CN(C)C(=O)OC(C)(C)C)c4)cc(C)c32)c1,ITNLYJSEQBDMNX-UHFFFAOYSA-N
-rxn:4:185540:222720,COc1ccc(-c2ccc(N3CCNCC3)cc2C(F)(F)F)cc1C=C1Oc2cc(OC(=O)N(C)C)ccc2C1=O,YVQNWZMAZZXPSN-UHFFFAOYSA-N
-rxn:4:185544:226056,COC1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1c2c(cc3c1CCC3)CCC2,RSLYUIMPMBUGNT-UHFFFAOYSA-N
-rxn:4:185567:223227,CC(NC1CC1)c1ccc(-c2ccccc2CCC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)s1,QPOZCMVOCRUUBB-UHFFFAOYSA-N
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-rxn:4:185613:227494,CCC(C)c1nc(Cl)ncc1-c1cc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)ccc1OC,PTPKNAHSWVXTAJ-UHFFFAOYSA-N
-rxn:4:185852:223743,CCOC(=O)c1ccc(F)c(C#N)c1-c1ccc(C)c(OCCCN2CCC(C)CC2)c1,QIPSOBKJXOXZSF-UHFFFAOYSA-N
-rxn:4:185966:222521,CCOC(=O)c1cccc([N+](=O)[O-])c1-c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1,WTUXOWQGNDJXJH-UHFFFAOYSA-N
-rxn:4:186075:222466,CCOC(=O)c1nc(C2CC2)sc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,LXLFUBRBFOSARM-UHFFFAOYSA-N
-rxn:4:186544:223675,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)c(C(F)(F)F)c1,IMZSLNXHTRQUSY-UHFFFAOYSA-N
-rxn:4:186898:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(CN4CCOCC4)ccc3OC(F)(F)F)cc2)CC1,YYUKKZOIZDGUDI-UHFFFAOYSA-N
-rxn:4:187026:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC(=O)CC3)c2)c1,XJZAPQONGIEUPL-UHFFFAOYSA-N
-rxn:4:187115:223743,Cc1ccc(-c2cccc(C(=O)N(C)CC3CCCC3)c2F)cc1OCCCN1CCC(C)CC1,MBBHMESAVLIPAN-UHFFFAOYSA-N
-rxn:4:187203:225227,CC1CCN(c2ncc(-c3cc(Cl)ccc3C3CN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,RVMFOHUNYNFLKF-UHFFFAOYSA-N
-rxn:4:187210:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(F)cc3CN3CCC(C(=O)OC)CC3)cc2)CC1,FSIPRFQAYDLIJB-YHBQERECSA-N
-rxn:4:187227:225215,CC1CCN(c2nccc(-c3ccc(Cl)c(CCN4CCC(C(F)(F)F)CC4)c3)c2Cl)CC1,CMPHPEUJYKYDSS-UHFFFAOYSA-N
-rxn:4:187353:223823,CC(C)[Si](c1nc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)co1)(C(C)C)C(C)C,MEGLTUVUJWEMAF-UHFFFAOYSA-N
-rxn:4:187359:224189,COc1cc(-c2ccc(N3CCC(C(OC)OC)CC3)cc2)ccc1O[Si](C)(C)C(C)(C)C,AADSAYGENOFTAL-UHFFFAOYSA-N
-rxn:4:187363:223606,COc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(CN(C)C2CCOCC2)c1,PDHXAFOGFBEDHZ-UHFFFAOYSA-N
-rxn:4:187416:224400,CC(C)(C)OC(=O)N1CCCC1c1ccccc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,MAUJBVGYQXBFPR-UHFFFAOYSA-N
-rxn:4:187427:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(CN3CCCC(C)C3)c(C(=O)OC)c2)cc1,FAOBWUZZEDOHGY-UHFFFAOYSA-N
-rxn:4:187435:224853,COC(=O)C1CCN(Cc2cc(C)cc(-c3ccc(C4CCC(C)(C)CC4)cc3)c2)CC1,JBBKHOAMFZDJPK-UHFFFAOYSA-N
-rxn:4:187439:222747,CC(C)(C)OC(=O)N1CCCC(c2coc(-c3ccc(C(=O)NCC4CCCO4)cc3)c2)C1,GHCDZQMIDZCCGY-UHFFFAOYSA-N
-rxn:4:187482:224592,CCOc1ccc(-c2cc(C3(C#N)CCCCC3)ccc2F)cc1S(=O)(=O)N1CCCC(C)C1,ZIEFLFFEJYUECS-UHFFFAOYSA-N
-rxn:4:187495:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,HQQZWCUNHDIULC-UHFFFAOYSA-N
-rxn:4:187539:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2ccc(CN([Si](C)(C)C)[Si](C)(C)C)cc2)c1F,JQXJAFYEUYBHSQ-UHFFFAOYSA-N
-rxn:4:187542:225172,COc1cc(-c2cc(CN3CCOCC3)ccc2F)cc(OC)c1CN1CCC(C)CC1,XKVSQAMTQPWOOJ-UHFFFAOYSA-N
-rxn:4:187542:225318,COc1cc(-c2c(F)cc(N3CCOCC3)cc2F)cc(OC)c1CN1CCC(C)CC1,PGNMTRYXKKRWMA-UHFFFAOYSA-N
-rxn:4:187614:223649,COC(=O)c1cc(-c2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)n(-c2cccc(Cl)c2C)c1C,PISGLYZUAZUYLB-UHFFFAOYSA-N
-rxn:4:187622:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(CN3CCC(C)CC3)ccc2OC(C)C)c1,KQKFFEQZZIUEPO-UHFFFAOYSA-N
-rxn:4:187634:222604,COc1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc1S(=O)(=O)NC1CCCC1,XZHBCBGPNKTZHD-UHFFFAOYSA-N
-rxn:4:187634:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)cc1,YSYGYXMDVNIIJW-UHFFFAOYSA-N
-rxn:4:187672:222941,CONS(=O)(=O)c1c(C)cc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)cc1C,CITYHXZVDDLRTK-UHFFFAOYSA-N
-rxn:4:187889:223583,COC(=O)c1ccc2c(-c3ccccc3C=C3Oc4cc(OC(=O)N(C)C)ccc4C3=O)cn(C(=O)OC(C)(C)C)c2c1,IHKQITKSVPDEHS-UHFFFAOYSA-N
-rxn:4:187896:223886,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cccc2c1CCN(C(=O)OC(C)(C)C)C2,UWYCJWCTFJCBJJ-UHFFFAOYSA-N
-rxn:4:187911:224714,C=C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccc(OCCCC)c(C(F)(F)F)c1,VJMNETIOGVBJCX-UHFFFAOYSA-N
-rxn:4:187916:222988,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C)nc(C2CCNCC2)c1,DZRAKEWQNJNFOB-UHFFFAOYSA-N
-rxn:4:187916:223007,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(F)cc(C2CCNCC2)c1,GSPAIOURYYTHBK-UHFFFAOYSA-N
-rxn:4:187916:225633,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(N2CCCCCC2)nc1,FIZKBRTTWUXQCB-UHFFFAOYSA-N
-rxn:4:187943:226062,COc1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c2c1CCN(C(=O)OC(C)(C)C)CC2,FJCFOMLNTVODBC-UHFFFAOYSA-N
-rxn:4:187969:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)CC1,NZJOIKQAOFOZMP-UHFFFAOYSA-N
-rxn:4:187972:225377,O=C1OC2(CCN(C(=O)CCc3ccccc3-c3ccc(OC(F)F)c(C(F)(F)F)c3)CC2)c2ccccc21,MNNQRKYJGXQEKQ-UHFFFAOYSA-N
-rxn:4:187985:224430,CCC(C)Oc1ccc2cc(-c3ccc(C45CCOCC4N(C(=O)OC(C)(C)C)CC5)cc3)ccc2c1,JPJUTSXFQWRTAX-UHFFFAOYSA-N
-rxn:4:189278:223559,CCC(C)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(F)F)n1,VMJVAIGXWYRQAM-UHFFFAOYSA-N
-rxn:4:189317:223602,CN(C(=O)C1CC1)c1ccccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,MNLMSYKMMGHAIN-UHFFFAOYSA-N
-rxn:4:189383:224128,CN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCC2)cc1)C1CCCCC1,ZGCWPZSHAUZCAE-UHFFFAOYSA-N
-rxn:4:189598:224758,Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(C(=O)N2CCOCC2)c(Cl)c1,IHWVAXHJFSIMBC-UHFFFAOYSA-N
-rxn:4:189780:223814,CN(Cc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c(F)c1)C1CCC1,DLCBRANPZHUPPA-UHFFFAOYSA-N
-rxn:4:189871:224572,CC1CCCN(c2ccc(-c3ccc(C(=O)N4CCOCC4)c(C(F)(F)F)c3)c(C#N)c2)C1,IFMVVLJOUOUVQB-UHFFFAOYSA-N
-rxn:4:190138:222809,COc1c(F)cc(C(=O)N2CCCCC2)cc1-c1cc(Cl)ncc1NC(=O)OC(C)(C)C,QPZLFPBYMKWXHJ-UHFFFAOYSA-N
-rxn:4:190139:222775,OC1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)c(C(F)(F)F)c3)cc2F)CC1,SEDJIJUSHHNPBB-UHFFFAOYSA-N
-rxn:4:190168:225437,COC(=O)c1cc(F)c(N2CCC(F)(F)CC2)cc1-c1cccc(CN2CCCCC2)c1,ZSSFSTZTEFTXME-UHFFFAOYSA-N
-rxn:4:190228:224009,COc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCOCC1,NJEUYYPTYYDTEL-UHFFFAOYSA-N
-rxn:4:190228:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4S(=O)(=O)C4CC4)cc3)cn2)CC1,ASYKBHRKVIWXKF-UHFFFAOYSA-N
-rxn:4:190273:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N(C)C3CCCCC3)c2F)cc1,YNABKDBCXPYZOW-UHFFFAOYSA-N
-rxn:4:190274:222723,COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,YCOQHLBBHZUVRV-UHFFFAOYSA-N
-rxn:4:190283:223541,Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1C(=O)N(C)c1ccccc1C,HCNSFPBBSKFDPB-UHFFFAOYSA-N
-rxn:4:190380:222920,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(S(=O)(=O)NC2CC2)cc1C,ZMYWNJRFWYLEGB-UHFFFAOYSA-N
-rxn:4:190383:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccccc2N2CCCC(C(=O)C(C)C)C2=O)cc1F,KILAXQZBJHGVNU-UHFFFAOYSA-N
-rxn:4:190427:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(C4CCN(C(=O)C5CCC5)CC4)cc3)c2)C1,HRDLISSYLMYMTO-UHFFFAOYSA-N
-rxn:4:190427:224891,O=C(C1CCC1)N1CCC(c2ccc(-c3cc(N4CCCC4)ccc3C3CC3)cc2)CC1,OEOLDCXLARBUNZ-UHFFFAOYSA-N
-rxn:4:190447:223078,CCNS(=O)(=O)c1ccc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)c(C)c2)c(C)c1,NHQVWEKTDSLJSI-UHFFFAOYSA-N
-rxn:4:190662:222538,CCOC(=O)C1CCCc2sc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)nc21,IWTYHRGHBVKNNG-UHFFFAOYSA-N
-rxn:4:190752:222747,COc1cc(C=C[N+](=O)[O-])c2c(c1-c1ccc(C(=O)NCC3CCCO3)cc1)CCCO2,CLSRQNJWEYVWPK-UHFFFAOYSA-N
-rxn:4:190821:222447,COc1ccc2c(c1-c1ccc3ccc(C(=O)OC(C)(C)C)nc3c1)N=C(NC(=O)OC(C)(C)C)C2,PGKPVORDBCUFDI-UHFFFAOYSA-N
-rxn:4:190823:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2=O,FVAKAEDOQUTQQP-UHFFFAOYSA-N
-rxn:4:190847:224458,CC1CCN(C(C)c2ccc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,LGZBLYFNJXIKAQ-UHFFFAOYSA-N
-rxn:4:190865:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)C(=O)C(=O)N2CC(=O)C(C)(C)C,VFOYBERDJKASOQ-UHFFFAOYSA-N
-rxn:4:190874:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)ON=C2CCCc3occc32)cc1,WOMPVYVNLHASOS-UHFFFAOYSA-N
-rxn:4:190972:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)o3)c3ccccc23)CC1,RLQBYAXFRSDBQV-UHFFFAOYSA-N
-rxn:4:191039:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)cc1F,QLEHWOXSEPYXAU-UHFFFAOYSA-N
-rxn:4:191054:222466,COC1CCN(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c3ccccc23)CC1,CIVDLAASWASLNC-UHFFFAOYSA-N
-rxn:4:191057:226424,CC1CCCN(c2csc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC43CC3)c2)C1,MKWLQCGWQVQYMW-UHFFFAOYSA-N
-rxn:4:191058:225221,COC(=O)C1CCN(C2CCc3cc(-c4cc(N5CCCC(C)C5)ncc4F)ccc32)CC1,BHUYKHRAPIZJPI-UHFFFAOYSA-N
-rxn:4:191058:225466,COC(=O)C1CCN(C2CCc3cc(-c4ccc(N5CCCCC5C)cc4)ccc32)CC1,AXKYKGAATUBSQK-UHFFFAOYSA-N
-rxn:4:191062:222466,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,WSONGGLFCYRDTN-UHFFFAOYSA-N
-rxn:4:191062:227654,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2OCCO2)nc1,CBWNKKJGUWGXQL-UHFFFAOYSA-N
-rxn:4:191072:224176,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3ccc(OCCSC4CCOCC4)cc3)sc12,OSJNCKGHDNMYLF-UHFFFAOYSA-N
-rxn:4:191072:228002,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3sccc3C3CCCC3)sc12,DKVDKCYNCUIOHD-UHFFFAOYSA-N
-rxn:4:191078:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCc4ccccc43)c(OC)cc2C)c(C(F)(F)F)c1,GSSWLSIQQTYWCJ-UHFFFAOYSA-N
-rxn:4:191097:226118,CCC(C)Oc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C,KLRGKUXMUUCQPX-UHFFFAOYSA-N
-rxn:4:191097:226514,CCc1cnc(C(=O)OC)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,HPPXZPYNLPDNRA-UHFFFAOYSA-N
-rxn:4:191103:226275,Cc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cnc1OCC(C)C,QWSTYBKZBGWEDM-UHFFFAOYSA-N
-rxn:4:191103:226913,CCc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,MXZLMGNLLZXOHX-UHFFFAOYSA-N
-rxn:4:191103:227307,Cc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(OC(C)C)n1,TWEFRRKPTXPSKO-UHFFFAOYSA-N
-rxn:4:191105:222489,COc1ccc(CNc2cc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)ccn2)c(OC)c1,CCNKTEPQHGASLL-UHFFFAOYSA-N
-rxn:4:191105:226995,CC(C)CSc1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,AZXRTHCLYAHVSI-UHFFFAOYSA-N
-rxn:4:191105:227244,CCOc1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1OC,WKFASIKJZMQSMU-UHFFFAOYSA-N
-rxn:4:191109:225514,COc1ccc(-c2cccc3c2OCC2(CC2)CO3)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,ALZDKNZIENBPKO-UHFFFAOYSA-N
-rxn:4:191117:228382,COc1nc(C)c(Cl)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,HIZDRCODEGBVAS-UHFFFAOYSA-N
-rxn:4:191124:226307,COCc1cc(C)cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1OC,RRJYMGCDBLRFIF-UHFFFAOYSA-N
-rxn:4:191125:227322,COc1c(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)cncc1C(C)C,MMNQDTUSQWKFKJ-UHFFFAOYSA-N
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-rxn:4:204378:223527,CCOC(=O)c1cnn2cc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c(C)cc12,LTJLBJBUPLFPEF-UHFFFAOYSA-N
-rxn:4:204513:224059,COc1c(-c2cnc3c(c2)CCN3C(=O)OC(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,CVJBUDKMFIIGBS-UHFFFAOYSA-N
-rxn:4:204544:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCO3)c1,GLBDBNQDJGILRJ-UHFFFAOYSA-N
-rxn:4:204574:224665,CN1CCN(Cc2cc(F)ccc2-c2c(COC3CCCCO3)nn3c2CCC3)CC1,OWVJTYFUIBULFD-UHFFFAOYSA-N
-rxn:4:204595:224590,CC1CCN(Cc2ccc(-c3nc4c(s3)CCN(C(=O)OC(C)(C)C)CC4)c(F)c2)CC1,CDEXXPCDESBFNR-UHFFFAOYSA-N
-rxn:4:204600:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1,GEXHEXPQYQKXDH-UHFFFAOYSA-N
-rxn:4:204642:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc2c(c1)CCN2C(=O)CN1CCOCC1,HZTQOTUVUMZLJW-UHFFFAOYSA-N
-rxn:4:204659:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)cc1,SACLOCCEAKEJNO-UHFFFAOYSA-N
-rxn:4:204756:226340,N#Cc1cc(-c2ccc(C(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c(Cl)c(C2CC2)c1,KHXGMRRVWFMKJA-UHFFFAOYSA-N
-rxn:4:204804:225047,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cnc1N1CCC(C)CC1,HLKRITJHXLNSRU-UHFFFAOYSA-N
-rxn:4:204865:224153,CC1CCN(C(=O)C2=CN(c3cccc(-c4cc(N5CCCC5)cc(N5CCCC5)c4)c3)c3ccccc3S2(=O)=O)CC1,CIUZWQRLNOGUMK-UHFFFAOYSA-N
-rxn:4:204870:224761,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,UYYXJZQRELUGMZ-UHFFFAOYSA-N
-rxn:4:204946:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2C(=O)N(c3ccc(C)cc3)C3(C)CC2c2ccccc2O3)o1,FYJOPEJPHQZPCE-UHFFFAOYSA-N
-rxn:4:204955:227467,COCCOc1cnccc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C(C1CCCCC1)O2,BKLOQSQHWDLHCP-UHFFFAOYSA-N
-rxn:4:204955:227507,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C=C[N+](=O)[O-])c4)ccc2OC3C2CCCCC2)cc1,IKFMFRBFLGWBHA-UHFFFAOYSA-N
-rxn:4:206607:223537,CC(C)(C)OC(=O)n1c(-c2cc(C(=O)N3CCCCC3)cnc2Cl)cc2cc(OC(F)(F)F)ccc21,QQBXEUKUINYNRK-UHFFFAOYSA-N
-rxn:4:206731:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cccc(N3CCCCC3C(F)(F)F)n2)cc1,CGPIVSLJKIEAIN-UHFFFAOYSA-N
-rxn:4:206883:223480,Cc1cc(C)n(S(=O)(=O)c2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c(C)c2)n1,WMJKWBIHMYUMAA-UHFFFAOYSA-N
-rxn:4:206894:223593,CC(C)c1cc(C2CCCC2)nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)n1,VSXKKOWYEIRJGI-UHFFFAOYSA-N
-rxn:4:206907:223712,COc1ccc(-c2ccc(CN3CCCCCC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,FVHDUNVBWMYOGY-UHFFFAOYSA-N
-rxn:4:206957:224153,CC1CCN(S(=O)(=O)c2cncc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)c2)CC1,VAJKJFZWJODQKJ-UHFFFAOYSA-N
-rxn:4:206961:223568,CC1CCCN(S(=O)(=O)c2cncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)c2)C1,KXGRRTBDKPISGJ-UHFFFAOYSA-N
-rxn:4:206964:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)c2)CC1,LJMFTAYNKKJUBU-UHFFFAOYSA-N
-rxn:4:207077:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCC(=C5CCC5)CC4)c3)c2)CC1,IUNHKIKLJSOVOC-UHFFFAOYSA-N
-rxn:4:207077:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(=C5CCC5)CC4)c3)cc2)CC1,OTYUGZBZXTYNQS-UHFFFAOYSA-N
-rxn:4:207077:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(=C5CCC5)CC4)c3)cc2)CC1,OXDSKAXEIZKBEG-UHFFFAOYSA-N
-rxn:4:207077:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cncc(C(=O)N2CCC(=C3CCC3)CC2)c1,GSAKFGFUYJNUIV-UHFFFAOYSA-N
-rxn:4:207081:225526,CCN(CC)C(=O)c1cccc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)c1,CVNLINQSTPLJPF-UHFFFAOYSA-N
-rxn:4:207091:223078,CCNS(=O)(=O)c1ccc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c(C)c1,ULOONLUJOTUJOS-UHFFFAOYSA-N
-rxn:4:207349:223482,COC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2c(C)[nH]nc2c1,MPHGVZZMZYWYNV-UHFFFAOYSA-N
-rxn:4:207890:225128,COC(=O)C1(c2ccc(F)c(-c3cnn(CC45CC6CC(CC(C6)C4)C5)c3C)c2)CC1,SXRIXZQJNHDMJY-UHFFFAOYSA-N
-rxn:4:207890:225197,Cc1c(-c2cc(F)c(OC3CCCC3)c(Cl)c2)cnn1CC12CC3CC(CC(C3)C1)C2,ABBROIHDCWRRHZ-UHFFFAOYSA-N
-rxn:4:207944:223753,CC1=NN(c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12,CWVWZYJZSZQJKC-UHFFFAOYSA-N
-rxn:4:207950:223520,Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2cccc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)c1,MMYSBXUIMOMBMM-UHFFFAOYSA-N
-rxn:4:209875:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(F)CC4)cc3C)c2)CC1,GBOWONYNFPSERI-UHFFFAOYSA-N
-rxn:4:210681:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2=CSC3=NCCN23)cc1,BYWHFRFKXCDLDG-UHFFFAOYSA-N
-rxn:4:212521:225231,CC1CCCCN1c1cc(-c2cnc(OC3CCN(S(=O)(=O)CCC(F)(F)F)C3)nc2)cnc1Cl,WRDZJZSUYHBMQJ-UHFFFAOYSA-N
-rxn:4:212526:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc([N+](=O)[O-])ccc1OCCN1CCC(C#N)CC1,SKSOZKONPSZRLC-UHFFFAOYSA-N
-rxn:4:212539:225312,CCN(Cc1c(-c2cnc(N3CCCN(C)CC3)nc2)cnn1C)C(=O)OC(C)(C)C,INZGSPOFBYKJTO-UHFFFAOYSA-N
-rxn:4:212567:222853,O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncc(-c3ccc(CN4CCC(O)CC4)cc3)cn2)C1,YGOPPQDMDLDQPV-UHFFFAOYSA-N
-rxn:4:212567:225802,O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncc(-c3ccc(OC4CCCC4)nc3F)cn2)C1,ZQEJKKVPISDKGE-UHFFFAOYSA-N
-rxn:4:212584:225126,CC(C)N(Cc1nn(C)cc1-c1cc(F)ccc1OCC1CCCO1)C(=O)OC(C)(C)C,DGNNZZWVVFREGD-UHFFFAOYSA-N
-rxn:4:212599:224672,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)C1,WBAIZEGIGCBDGT-UHFFFAOYSA-N
-rxn:4:212607:222724,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,QDTTUCMKHKNSLN-UHFFFAOYSA-N
-rxn:4:212634:226565,CCOc1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCC2)c(F)cc1OC,OLZDLUMHSUPDNB-UHFFFAOYSA-N
-rxn:4:212650:227275,CCCOc1c(F)cccc1-c1cnc(OCC2CCCN(C(=O)CC(C)(C)C)C2)nc1,HFHHZMBMXAFACC-UHFFFAOYSA-N
-rxn:4:212654:223916,CCn1c(-c2ccc(-c3ccc(C(=O)N4CCN(C(C)C)CC4)cc3)cc2)cnc1SCC(=O)N1CCCCC1,ZJWAPDBSYOCFGJ-UHFFFAOYSA-N
-rxn:4:212656:226844,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LXCXTVGXHVVPQG-UHFFFAOYSA-N
-rxn:4:212662:224400,COc1ccc(CN2CCCC(COc3ncc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cn3)C2)cc1,SEPFCBUQJXJUHZ-UHFFFAOYSA-N
-rxn:4:212667:222693,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cn3)C2)cc1,WWTUMAUAZOTABB-UHFFFAOYSA-N
-rxn:4:212707:222582,COc1ccc(C2=NN(C(=O)c3ccccc3-c3cccc(C(=O)NCCN4CCOCC4)c3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,RZZXODAATPQLNU-UHFFFAOYSA-N
-rxn:4:212710:225898,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)CC2)c1C,XGXIZLWECJRIPQ-UHFFFAOYSA-N
-rxn:4:212741:223380,CC1CN(Cc2ccc(-c3ccc4oc(=O)[nH]c4c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,VHPBKBQFLLSPSR-UHFFFAOYSA-N
-rxn:4:212743:223673,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cccc(COc5cc(C(F)(F)F)ccc5Cl)c4)cc3)CC2)CC1,VRZSLIRRWGKAMO-UHFFFAOYSA-N
-rxn:4:212751:226376,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(-c4ccccc4)nc3)c2)CCN1C(=O)OC(C)(C)C,XXEJWZCQBIRTKN-UHFFFAOYSA-N
-rxn:4:212771:225977,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2s1,SRGNKZPOOWEERQ-UHFFFAOYSA-N
-rxn:4:212831:223532,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C1c1ccccc1,KAWDVIKGRBJUHF-UHFFFAOYSA-N
-rxn:4:212839:228214,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CC5)cc4F)ccn23)CC1,IOGZWLDRZZRIGS-UHFFFAOYSA-N
-rxn:4:212879:222465,COCCN1CC(Cn2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)C1,YCJITKYIJAZIFI-UHFFFAOYSA-N
-rxn:4:213011:222719,CC(C)C(=O)N1CCCC(COc2ncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cn2)C1,ZRMJFQLDWCAUBJ-UHFFFAOYSA-N
-rxn:4:213012:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(C(=O)CC(C)C)CC2)nc1,ZTLTUEDFASBNOY-UHFFFAOYSA-N
-rxn:4:213037:225128,COC(=O)C1(c2ccc(F)c(-c3cnc(OC4CCN(CCC(C)C)CC4)nc3)c2)CC1,NWSPZFXFRZTOOU-UHFFFAOYSA-N
-rxn:4:213053:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)C5CC(F)(F)C5)C4)nc3)cc2)C1,ZBLFSBUCNREUQX-UHFFFAOYSA-N
-rxn:4:213114:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)nc1,XNVFQXYIMXLLFB-UHFFFAOYSA-N
-rxn:4:213116:224986,N#Cc1cc(N2CCCCC2)ccc1-c1cnc(OCC2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc1,GALXUPLZKHSQJP-UHFFFAOYSA-N
-rxn:4:213126:224318,CN1CCN(C(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2F)CC1,BIVCSFIGUNWADF-UHFFFAOYSA-N
-rxn:4:213127:225980,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccn2)CC1,CUNKFKHPKYUDJE-UHFFFAOYSA-N
-rxn:4:213136:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(OCC2CCCN(CC3CCCO3)C2)nc1,UAWSPYPTWIPAPV-UHFFFAOYSA-N
-rxn:4:213138:224483,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OCCN4CCCCC4)cc3)cnc2F)CC1,DPPLMNJVOWIVLG-UHFFFAOYSA-N
-rxn:4:213138:225975,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)c3Cl)cnc2F)CC1,KDEWVIHFPYTDJU-UHFFFAOYSA-N
-rxn:4:213143:226516,CCc1cc(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(=O)OC)n1,JIJQXWQYYGFSNR-UHFFFAOYSA-N
-rxn:4:213204:224659,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3cccc(C(=O)N4CCN(C)CC4)c3)C2)nc1,FKHZBVUTQJJHOJ-UHFFFAOYSA-N
-rxn:4:213215:223279,c1nc(OCC2CCN(CC3CCOCC3)CC2)ncc1-c1cnc(C2CCCN2)nc1,VOTFPJMGIDDGHG-UHFFFAOYSA-N
-rxn:4:213215:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,SEIMGDWRUQUSCJ-UHFFFAOYSA-N
-rxn:4:213216:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,XPFRCHHMESQZFH-UHFFFAOYSA-N
-rxn:4:213216:227348,COc1ccc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c(C)c1OC,AYFPSBJODSTBBI-UHFFFAOYSA-N
-rxn:4:213216:227543,COC(=O)c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)ccc1F,QEDVQVWJDDJMLQ-UHFFFAOYSA-N
-rxn:4:213216:227576,CCOc1c(Cl)cc(F)cc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,AUQRFNUZURDFOT-UHFFFAOYSA-N
-rxn:4:213218:226844,C[C@H]1CN(Cc2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)CCN1C(=O)OC(C)(C)C,UXIIZWOXVBJBEL-HNNXBMFYSA-N
-rxn:4:213222:225977,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cc(Cl)cnc4N4CCOCC4)o3)CC2)n1,BNTKITVDTWFLET-UHFFFAOYSA-N
-rxn:4:213253:223149,CCOc1cc2cn[nH]c2cc1-c1cnccc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1,RPLKZYYMDIGAIC-UHFFFAOYSA-N
-rxn:4:213268:225110,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(OC(=O)OC(C)(C)C)cc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,LSWMHTVQDOETHZ-DFBJGRDBSA-N
-rxn:4:213269:223052,COc1ccc(-c2cccc(C(=O)NC(C)C)c2F)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,WVBJTFUVXHIODA-UHFFFAOYSA-N
-rxn:4:213281:226383,Cn1cc(-c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2)cn1,PUXDDDFXVILTMS-UHFFFAOYSA-N
-rxn:4:213281:226418,Cc1nc(-c2ccccc2)sc1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,ILOSAWCDYHPITL-UHFFFAOYSA-N
-rxn:4:213360:223047,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3cc(F)cc(C(=O)NC4CC4)c3)ccc21,DDIUYUDDDDFQOY-UHFFFAOYSA-N
-rxn:4:213364:224686,O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2ncccc2-c2ccc(C(=O)N3CCCCC3)cc2F)CC1,RPRUUASPOMEMSJ-UHFFFAOYSA-N
-rxn:4:213373:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccnc1OC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1,JXOJCIZQPYPAPE-UHFFFAOYSA-N
-rxn:4:213387:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,BCGZYRVXSOOWJB-UHFFFAOYSA-N
-rxn:4:213403:222795,COc1ccccc1N1CCN(C(=O)Cn2ccc3cc(-c4ccc(NC(=O)N5CCOCC5)cc4)ccc32)CC1,KYKKXLHTJNQMBF-UHFFFAOYSA-N
-rxn:4:213403:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(c4ccccc4OC)CC3)c2)c1,HJUWRFUHIHZIHV-UHFFFAOYSA-N
-rxn:4:213447:223813,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1,AEFKJTWUWHHYHY-UHFFFAOYSA-N
-rxn:4:213449:222782,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cnc(NC(=O)OC(C)(C)C)c(C)c4)cc3c2-c2ccccc2)=NN1C(C)=O,YGJOICRSNQIKND-UHFFFAOYSA-N
-rxn:4:213450:222933,Cc1nc2ccc(-c3cnc(NC(=O)OC(C)(C)C)nc3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,CTQFPOBTBMQUOL-UHFFFAOYSA-N
-rxn:4:213450:224420,Cc1cc2c(cc1-c1ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c1)C(C)(C)CCC2(C)C,AAJFLWQCDUTWPG-UHFFFAOYSA-N
-rxn:4:213453:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)CSC3=Nc4ccccc4C4=NC(C(C)C)C(=O)N34)cc2)cc1,NQROSDNGXVEMAM-UHFFFAOYSA-N
-rxn:4:213475:225183,COc1cc(-c2ccc(OC3CCCCC3)nc2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,LKKFCRIDJUEFET-WWADNGLNSA-N
-rxn:4:213480:225583,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C(=O)N5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LSBRQWCAGGSHTH-PCBPTNJRSA-N
-rxn:4:213480:225784,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCOCC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GVKKUKDPOIGOFS-WKGIXAQJSA-N
-rxn:4:213480:226579,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)N(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,IVIDEZWDZZITMN-FGWXRDQWSA-N
-rxn:4:213686:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnn(CC3CN(C(=O)C(C)(C)C)C3)c2)cc1,HEZCKASPYIWOMW-QGZVFWFLSA-N
-rxn:4:213710:223599,CC(C)(C)OC(=O)n1c(-c2cnc(OC3CCN(C(=O)c4ccc(F)cc4Cl)C3)nc2)cc2cc(C(F)(F)F)ccc21,NASLAONZWIOGKR-UHFFFAOYSA-N
-rxn:4:213752:224325,CCCN1CCN(Cc2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)nc2)CC1,GYIBGRLEJZFZCV-UHFFFAOYSA-N
-rxn:4:213768:222901,CCCS(=O)(=O)NCc1ccc(-c2cnc(OCC3CCCN(C4COC4)C3)nc2)cc1,ZDFCEAOWMAZKGC-UHFFFAOYSA-N
-rxn:4:213782:223608,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)o1)N1CCN(Cc2ccncc2)CC1,DUYPRBLNEMDUJY-UHFFFAOYSA-N
-rxn:4:213800:225975,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccnc(N3CCOCC3)c2Cl)ncn1,WJLRXGXNZVMXEO-UHFFFAOYSA-N
-rxn:4:213801:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)c(F)c2)CC1,IMWVJSPCZXXEFZ-TUNMPCEVSA-N
-rxn:4:213819:223503,CN(C1CN(c2ccccn2)C1)S(=O)(=O)c1ccccc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,DTISWKMBURPQKK-UHFFFAOYSA-N
-rxn:4:213833:223992,Cc1ccc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,SYHPYDNHRJILJX-UHFFFAOYSA-N
-rxn:4:213851:223502,Cc1cnn(CC2CN(C(=O)c3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc3C)C2)c1,LDLRTJUBXMZKRG-UHFFFAOYSA-N
-rxn:4:213861:222657,O=C(NC1CCCCC1)c1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccnn4)CC3)cc2)ccc1F,HKAPXRMMNLDYCZ-UHFFFAOYSA-N
-rxn:4:213872:225047,Cc1cc(-c2cnn(CC3CN(CC4CCCCC4)C3)c2)cnc1N1CCC(C)CC1,JTNDLQVNAAWTIU-UHFFFAOYSA-N
-rxn:4:213880:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12,MUVHCPGVNQAJKI-UHFFFAOYSA-N
-rxn:4:213897:223065,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCNCC3)cc2F)CC1,FXEFOHVOMWAUMG-UHFFFAOYSA-N
-rxn:4:213947:222722,CC1CN(C(=O)OC(C)(C)C)CCC1n1ccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)n1,ALXFSXWZWIIDAI-UHFFFAOYSA-N
-rxn:4:213948:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(OC2CCN(CC3CCCC3)CC2)nc1,MKXIUWBARMCZBY-UHFFFAOYSA-N
-rxn:4:213951:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(CC(=O)N3CCC(c4cncn4C)CC3)cc2)c1,AQPYAFUICMCPGG-UHFFFAOYSA-N
-rxn:4:213971:222609,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCO1)N1CCOCC1,SFGGYSKMWJJXII-UHFFFAOYSA-N
-rxn:4:213971:227938,CCOc1c(C)cccc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,WKRVJLYHDIKTOH-UHFFFAOYSA-N
-rxn:4:213974:226471,CN(C)CCOc1ccc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)cn1,HGPRLTLSKUPFTC-UHFFFAOYSA-N
-rxn:4:213980:222944,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)n1,SIBMATHBDYUVMV-UHFFFAOYSA-N
-rxn:4:213987:225915,CCOc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1C(F)(F)F,PCKWCWDZPOGVSZ-UHFFFAOYSA-N
-rxn:4:213991:225882,Clc1ncc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)cc1C1CCOCC1,KYFHLKLUUPSVKK-UHFFFAOYSA-N
-rxn:4:213994:224061,CCCC1CCC(c2ccc(-c3cncc(N4CCN(C(=O)OC(C)(C)C)C[C@H]4C)c3)c(F)c2)CC1,PCHPQFZVQYAKPE-DDRJZQQSSA-N
-rxn:4:214003:227125,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3ccccc3C3CCOC3)CC2)CC1=O,HTOCCZAOQHVNFV-UHFFFAOYSA-N
-rxn:4:214008:225294,CCN1CCN(c2ncc(-c3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c(C(C)C)s3)cn2)CC1,CFQJQNYCHQFURD-UHFFFAOYSA-N
-rxn:4:214029:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,SYNNSIZMVDAYGJ-UHFFFAOYSA-N
-rxn:4:214029:229157,N#Cc1nccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)n1,MOHHLBFIFWHEAE-UHFFFAOYSA-N
-rxn:4:214046:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)nc1,ZZZWQIOKSSRHHN-DLBZAZTESA-N
-rxn:4:214047:222612,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,NJLNWRDUKWGELN-UHFFFAOYSA-N
-rxn:4:214066:224080,O=C(c1ccccc1)N1CCN(C2CC(=O)N(c3cccc(-c4ccc(OCCCN5CCCCC5)cc4)c3)C2=O)CC1,MMLKXBPBSIUYAJ-UHFFFAOYSA-N
-rxn:4:214086:228201,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCC4)nc3)cc2N2CCCCC2)CC1,OLMDAWHRVSHHHI-UHFFFAOYSA-N
-rxn:4:214146:225984,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2cnc(Cl)c(N3CCOCC3)c2)C1,LAPPLQBOQXCNLQ-UHFFFAOYSA-N
-rxn:4:214153:225227,CC1CCN(c2ncc(-c3cnn4c3OC[C@H](N(C)C(=O)OC(C)(C)C)C4)cc2Cl)CC1,XQFIXBZGMBNQOU-QGZVFWFLSA-N
-rxn:4:214153:225639,CC1CCN(c2ncccc2-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)CC1,VYAYXCADPNJCFM-QGZVFWFLSA-N
-rxn:4:214183:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c2)cc1,GMAAMFXZLLAWQW-UHFFFAOYSA-N
-rxn:4:214190:225107,CCN(CC)C(=O)c1cccc(-c2cccc3c2ccn3CC(=O)N2CCN(C(C)=O)CC2)c1F,PFXAISZHENZXFH-UHFFFAOYSA-N
-rxn:4:214194:223687,CC(Oc1nn(C)c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc12)C(=O)N1CCOCC1,CNASYVNUJFELHH-UHFFFAOYSA-N
-rxn:4:214217:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccccc3C(=O)N3CCC(Oc4cnc5ccccc5n4)C3)cn2)CC1,FNCGZMAAAVWQTO-UHFFFAOYSA-N
-rxn:4:214254:223521,CC(c1cccc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,OOMUQGINZXWBKL-UHFFFAOYSA-N
-rxn:4:214256:226263,Cc1ccc(-c2nn(C3CCOC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1OCCCF,LGQAJIVUUMNLFT-UHFFFAOYSA-N
-rxn:4:214256:227119,CC(C)(C)OC(=O)N1CCc2c(c(-c3cc(C4CCCCC4)cs3)nn2C2CCOC2)C1,ZZDPPVOOMCSMDZ-UHFFFAOYSA-N
-rxn:4:214259:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)c3)c2)CC1,QPTHUTHOTFSZLU-UHFFFAOYSA-N
-rxn:4:214274:224378,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)cccc32)CC1,LROFOAMBWPOEAY-UHFFFAOYSA-N
-rxn:4:214379:223245,COc1c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)ccc2[nH]ncc12,PMAMSRATJQSJTJ-UHFFFAOYSA-N
-rxn:4:214585:222604,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)NC1CCCC1,PWYGFFOGHDDYAO-UHFFFAOYSA-N
-rxn:4:214682:222546,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,BWFOWXZWYYAIAE-UHFFFAOYSA-N
-rxn:4:214683:222584,CCN1CCN(C(=O)c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2Cl)CC1,ATJQMAMDKJLXSP-UHFFFAOYSA-N
-rxn:4:214709:224592,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,VNHSKOZUVCREEJ-UHFFFAOYSA-N
-rxn:4:214710:224312,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(F)c(C(=O)N4CCN(C)CC4)c3)c2)CC1,GCYRRVBZRCEZMQ-UHFFFAOYSA-N
-rxn:4:214711:224672,CCN1CCN(c2ccc(-c3ccc(N4CCN(S(=O)(=O)CC)CC4)nc3)c(Cl)c2)CC1,SYEOHYOCLYXUFY-UHFFFAOYSA-N
-rxn:4:214718:224917,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(N4CCC(C)CC4)cc3C)c2)CC1,CBSHTVYMWZFIBP-UHFFFAOYSA-N
-rxn:4:214718:224991,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3cc(C4CC4)nc(N4CCCC4)c3)c2)CC1,FGHGRUIPMJMENT-UHFFFAOYSA-N
-rxn:4:214718:225215,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccnc(N4CCC(C)CC4)c3Cl)c2)CC1,OCCMKIQZZUXWEK-UHFFFAOYSA-N
-rxn:4:214718:225223,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3cnc(N4CCC(C)CC4)cc3F)c2)CC1,OCOOQRJYMVLGKD-UHFFFAOYSA-N
-rxn:4:214730:225059,CC1CCN(c2ccc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)c(Cl)c2)CC1,RLYRFPGYJHJZNF-UHFFFAOYSA-N
-rxn:4:214730:225061,CC1CCN(c2ccc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)c(F)c2)CC1,NAXQVPDHIVJJFX-UHFFFAOYSA-N
-rxn:4:214730:225212,CN1CCN(c2cc(F)cc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)c2)CC1,GCVUNOHPVJVFEV-UHFFFAOYSA-N
-rxn:4:214731:224668,CCN1CCN(c2cc(F)cc(-c3cccnc3N3CCN(S(=O)(=O)C4CC4)CC3)c2)CC1,BXJCOMOADWEGBL-UHFFFAOYSA-N
-rxn:4:214731:224672,CCN1CCN(c2ccc(-c3cccnc3N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)CC1,RSERSLXWHUCNJD-UHFFFAOYSA-N
-rxn:4:214731:225059,CC1CCN(c2ccc(-c3cccnc3N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)CC1,DZRYIFUFTAADIM-UHFFFAOYSA-N
-rxn:4:214734:224575,CC1CCN(c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)c(C#N)c2)CC1,LMSFCDLZIYRLIL-UHFFFAOYSA-N
-rxn:4:214734:224975,CCN1CCN(c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)cc2)CC1,GFUPQAVWZYYXGI-UHFFFAOYSA-N
-rxn:4:214735:224575,CC1CCN(c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(F)c3)c(C#N)c2)CC1,MAOWPHDOVMVFLJ-UHFFFAOYSA-N
-rxn:4:214735:224975,CCN1CCN(c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(F)c3)cc2)CC1,PASPJRIFZSDVOP-UHFFFAOYSA-N
-rxn:4:214736:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc([N+](=O)[O-])c(N3CCC(c4nccs4)CC3)c2)c1F,RZNONVFGKMULIH-UHFFFAOYSA-N
-rxn:4:214742:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(N3CCC(N(C)C)CC3)ccc2C#N)CC1,HXNKJPJDAIJMIK-UHFFFAOYSA-N
-rxn:4:214743:222810,CN(C)C1CCN(c2cccc(-c3cc(NC(=O)OC(C)(C)C)ncc3Cl)c2C#N)CC1,ROQZCZJHYFQWLZ-UHFFFAOYSA-N
-rxn:4:214747:224197,CCN1CCN(Cc2ccc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)cc2F)CC1,URPVYQVBWZGLGI-UHFFFAOYSA-N
-rxn:4:214763:224199,CCCN1CCN(c2ncc(C)cc2-c2ccc(CN3CCN(C(C)=O)CC3)cc2)CC1,POWMEIBJONJYDT-UHFFFAOYSA-N
-rxn:4:214766:225227,CC1CCN(c2ncc(-c3ccc(N4CCC(N(C)C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1,QNIXKTJJHQRRGA-UHFFFAOYSA-N
-rxn:4:214774:225215,CC1CCN(c2nccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)c2Cl)CC1,CDIJMPYHGIDCRH-UHFFFAOYSA-N
-rxn:4:214805:224668,CCN1CCN(c2cc(F)cc(-c3ccc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)c2)CC1,REUSZDNWKGTORD-UHFFFAOYSA-N
-rxn:4:214805:225213,CN1CCN(c2ccc(-c3ccc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)c(Cl)c2)CC1,WIEGKFIVKCUVQN-UHFFFAOYSA-N
-rxn:4:214836:226998,CC(C)COc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,ODBSFWXNACVKSY-UHFFFAOYSA-N
-rxn:4:214837:223892,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2)CC1,YKTVKZJZLJIUAC-UHFFFAOYSA-N
-rxn:4:214839:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1Cl,ANXMNTSTDILZCP-UHFFFAOYSA-N
-rxn:4:214854:222946,OC1CCCCN1c1ncc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)c(Cl)n1,NSVKBVMYEMBDJR-UHFFFAOYSA-N
-rxn:4:214872:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,QIULAJSLFJYFJP-UHFFFAOYSA-N
-rxn:4:214875:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)cn2)CC1,LTYNJPAAFPMMNI-UHFFFAOYSA-N
-rxn:4:214875:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,DAYMDKSCONUASA-UHFFFAOYSA-N
-rxn:4:214884:226448,O=C(C1CCN(c2ncc(Cl)cc2-c2cnc(Cl)c(C3CCCC3)c2)CC1)N1CCC(F)(F)CC1,BHRXBIXBRZRMHX-UHFFFAOYSA-N
-rxn:4:215201:223224,CCNC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1,YBSZQYWVZUUFDK-UHFFFAOYSA-N
-rxn:4:215231:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(C)n(CC4CCCN(C(C)C)C4)c(=O)c3c2)cc1,DQAVUFBDDUXYJY-UHFFFAOYSA-N
-rxn:4:215295:227333,CC(C)Oc1ccc(Cl)c(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1,NHEVKNVVLVHPQN-UHFFFAOYSA-N
-rxn:4:215301:224772,O=C(c1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c(Cl)c1)N1CCOCC1,TYDCMTYSVKGCOW-UHFFFAOYSA-N
-rxn:4:215309:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)cc1,MMHJBMCDWMWYBP-NRFANRHFSA-N
-rxn:4:215635:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1csc(-c2cnc(C3CC3)nc2)n1,NTNZOHRSVPWPNT-UHFFFAOYSA-N
-rxn:4:215781:222466,Cc1n[nH]c(CN2CCOCC2)c1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,YNYNARNZTMVMSW-UHFFFAOYSA-N
-rxn:4:215831:224586,CC1CCN(Cc2ccc(F)cc2-c2cnn(C)c2C(=O)N2CCCC(F)(F)C2)CC1,OCMUHSKCZLVZCR-UHFFFAOYSA-N
-rxn:4:215852:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(N4CCOCC4)nc(C4CC4)n3)ccn2)CC1,YRDQXSQOBHPIEX-UHFFFAOYSA-N
-rxn:4:215864:224325,CN1CCN(C(=O)c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cnc2F)CC1,KTEOCCOBSZKMJN-UHFFFAOYSA-N
-rxn:4:215898:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,ZNWXFTPYZQVJQU-UHFFFAOYSA-N
-rxn:4:215899:222585,CS(=O)(=O)N1CCCC(c2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,FXORZBWZPCKFCY-UHFFFAOYSA-N
-rxn:4:215904:223841,Cc1cc(F)c(-c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,JNRILGCYXWJDKJ-UHFFFAOYSA-N
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-rxn:4:215908:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(N3CCN(S(C)(=O)=O)CC3)c2)CC1,MUBQRGFAWHXZGX-UHFFFAOYSA-N
-rxn:4:215908:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)c2)CC1,DLGIBPSRNAUUKY-UHFFFAOYSA-N
-rxn:4:215912:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)cc2)CC1,WOGIJCIPXWWRRY-UHFFFAOYSA-N
-rxn:4:215912:224770,Cc1cc(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc(S(=O)(=O)N2CCCC2)c1,QSYKAFPAPLYLSP-UHFFFAOYSA-N
-rxn:4:215922:223533,CC1CCCCN1C(=O)c1cnn(C)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,AHRIEMCHQULEAU-UHFFFAOYSA-N
-rxn:4:215928:223712,COc1ccc(-c2cc(N3CCOCC3)nc(C(C)C)n2)cc1C12CC3CC(CC(C3)C1)C2,FRMLGTGWTLFQPN-UHFFFAOYSA-N
-rxn:4:215939:224325,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,MDWURINGRFKGOB-UHFFFAOYSA-N
-rxn:4:215940:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2)CC1,YJDCMGUWBDZDFY-UHFFFAOYSA-N
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-rxn:4:215942:223835,Cc1cc(F)c(-c2ncccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,MIXKIWVFKPHDKH-UHFFFAOYSA-N
-rxn:4:215942:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ncccc1N1CCC(N(C)C)CC1,GCOREYJBATUBNX-UHFFFAOYSA-N
-rxn:4:215943:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2)CC1,TURYZMHCSXCSEW-UHFFFAOYSA-N
-rxn:4:215944:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(N4CCC(N(C)C)CC4)n3)c2)CC1,YONFLOLKKDRAKU-UHFFFAOYSA-N
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-rxn:4:215953:223841,Cc1cc(F)c(-c2ccc(N3CCC(N(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,LKWYNQWSQGBHOB-UHFFFAOYSA-N
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-rxn:4:215969:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCN(C4CCC4)CC3)c(F)c2)CC1,SYVMVRJWMNFHSZ-YHBQERECSA-N
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-rxn:4:217107:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(N4CCN(C)C4=O)c3)c(F)cc2C)CC1,RTDVQFADRQBLSS-UHFFFAOYSA-N
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-rxn:4:217169:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(N4CCN(C)CC4)ccn3)cc2C)CC1,TZTXAUZHZVLZMM-UHFFFAOYSA-N
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-rxn:4:217195:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3F)c(F)cc2C)CC1,UBPBCDWVFSZYNN-UHFFFAOYSA-N
-rxn:4:217214:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3C)c(F)cc2C)CC1,DYCDTIOBIUHWFN-UHFFFAOYSA-N
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-rxn:4:217889:224571,CC(C)N1CCN(c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2)CC1,PSMGUSNOBQTSOI-UHFFFAOYSA-N
-rxn:4:217889:224705,CC1CCN(c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c(F)c2F)CC1,RYLVGYCIPKOXDG-UHFFFAOYSA-N
-rxn:4:218586:222948,N#Cc1ccc(CN2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)c(F)c1,IGNTZNCBHOTNCH-UHFFFAOYSA-N
-rxn:4:218600:225324,CC(C)CCn1cc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)n1,FXHKYRFRJGFOBE-UHFFFAOYSA-N
-rxn:4:218619:224251,CC1CCCN(C(=O)c2ccc(-c3ccccc3CCC(=O)N3CCC(n4cc(C5CC5)nn4)C3)c(F)c2)C1,RRNBVHOLMQDWGA-UHFFFAOYSA-N
-rxn:4:218666:225977,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(Cl)cnc4N4CCOCC4)c3)C2)nn1,ZSNYIUKWDZVORX-UHFFFAOYSA-N
-rxn:4:218686:227899,CCC#Cc1cncc(-c2cnccc2N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1,FSIHZNCBIQCLOC-UHFFFAOYSA-N
-rxn:4:218699:225977,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cc(Cl)cnc4N4CCOCC4)c3)ccc2C#N)CC1,GSGFFGQDIKYHLX-UHFFFAOYSA-N
-rxn:4:218710:222424,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YGGJHOUFXNWHPI-UHFFFAOYSA-N
-rxn:4:218755:224297,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cc([N+](=O)[O-])ccc4Sc4ccccc4)cc3n(CC#N)c2=O)CC1,DBAZUOCYVSOZDP-UHFFFAOYSA-N
-rxn:4:218769:223279,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1)N1CCCC1,QMTLNVRNTXVGRJ-UHFFFAOYSA-N
-rxn:4:218818:224009,COc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(C(=O)N2CC(Cn3ccnn3)C2)c1,DQODMFKMDQDQTE-UHFFFAOYSA-N
-rxn:4:218868:227449,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C4CCOCC4)s3)cc2)no1,MTUDJMZXJWDTAO-UHFFFAOYSA-N
-rxn:4:218889:222634,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)no1,CDHCXYALXKEUQY-UHFFFAOYSA-N
-rxn:4:218898:223753,Cc1ccc(-c2cnc(OCC3CCN(C(=O)c4ccncc4F)CC3)nc2)cc1OCCCN1CCN(C)CC1,WQKNKCRPTPSPAT-UHFFFAOYSA-N
-rxn:4:218899:225051,CC1CCCN(c2cc(F)cc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c2)C1,BNEQTVZJONUAPC-UHFFFAOYSA-N
-rxn:4:218899:225221,CC1CCCN(c2cc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(F)cn2)C1,XYKXTDFEHAQGNN-UHFFFAOYSA-N
-rxn:4:218914:223533,Cc1nc(CN2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)cs1,ROLBPOPYOHTMJE-UHFFFAOYSA-N
-rxn:4:218944:227376,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,OOVDQHMTLQTXBK-UHFFFAOYSA-N
-rxn:4:218944:227596,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCCC4)nc3)cc2[N+](=O)[O-])CC1,MWFPBXQRDFQOCF-UHFFFAOYSA-N
-rxn:4:218964:224164,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cc5c(cnn5C5CCCCO5)cc4C)cn3)C2)CC1,KCMUCYIGCNUEFP-UHFFFAOYSA-N
-rxn:4:218992:225448,Cc1ccc(OC2CCCC2)c(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1,TZGPCQAMOFYSKE-UHFFFAOYSA-N
-rxn:4:218992:227910,CCC(C)c1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cn1,USOHJSPGIRKAFX-UHFFFAOYSA-N
-rxn:4:218995:222887,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4cccc(C(=O)N5CCNCC5)c4)o3)CC2)n1,FTFGWGXJEOCEKJ-UHFFFAOYSA-N
-rxn:4:218998:225534,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1Cl,SVQVTPARWBOOKC-UHFFFAOYSA-N
-rxn:4:219013:224985,CC1CN(c2c(-c3ccc(C4CC4)c(-n4cccn4)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,KGYLUUGHEYIDBF-UHFFFAOYSA-N
-rxn:4:219046:223812,O=C1C(N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)CCN1C1CC1,FCKWZBJQSHCICO-UHFFFAOYSA-N
-rxn:4:219047:224949,COc1ccc(-c2ccc(OC)c(CN3CCCC3)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,IXWGGXFQGXFSQT-UHFFFAOYSA-N
-rxn:4:219154:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(ccn4CCC(=O)N4CCN(c5ccccn5)CC4)c3)ccc2F)CC1,SGDCAEHIKYERIV-UHFFFAOYSA-N
-rxn:4:219221:223945,CC(C)(C)C(=O)Cn1nc([N+](=O)[O-])nc1-c1ccc(OCCCN2CCOCC2)c(F)c1,GFBKWUMQVULEQN-UHFFFAOYSA-N
-rxn:4:219336:222657,O=C(NC1CCCCC1)c1cc(-c2cnn(CC3CN(C(=O)N4CCOCC4)C3)c2)ccc1F,SVKRUEWWHADQBA-UHFFFAOYSA-N
-rxn:4:219338:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(C(=O)N(C)C)CC2)nc1,COYCFJALRCTWHN-UHFFFAOYSA-N
-rxn:4:219354:222582,CN(C1CCN(c2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,SXZPZZZQRVJBDP-UHFFFAOYSA-N
-rxn:4:219373:226428,CC1CCCCN1c1csc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,JNKYHERUPIKTPV-UHFFFAOYSA-N
-rxn:4:219388:224891,O=C(c1ccc(-c2cc(N3CCCC3)ccc2C2CC2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,XGAMEYCWRPDLBV-UHFFFAOYSA-N
-rxn:4:219410:223076,O=S(=O)(NC1CC1)c1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,WWOGKCVXTOTFHW-UHFFFAOYSA-N
-rxn:4:219414:226498,CCN(CC)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc1Cl,NHJVIXACJJMVQF-UHFFFAOYSA-N
-rxn:4:219465:223602,Cc1cc(OCC2CCCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)ccn1,MHVLUIQXSIWSCJ-UHFFFAOYSA-N
-rxn:4:219466:223813,Cc1cccc(CN2CCC(Oc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cn3)CC2)n1,ZLYCOVOHMJQGSY-UHFFFAOYSA-N
-rxn:4:219468:223868,COCc1cc(OCc2ccccc2)ccc1-c1cnc(OC2CCN(C(=O)N3CCOCC3)CC2)nc1,ZJWVSQMJZKDJQX-UHFFFAOYSA-N
-rxn:4:219479:225223,CC1CCN(c2cc(F)c(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)cn2)CC1,ADFAORHGGVCHOY-UHFFFAOYSA-N
-rxn:4:219490:222818,COC(=O)c1cc(-c2c(C(=O)N3CC4(CN(Cc5ccccc5)C4)C3)cnn2C)c(F)cc1NC(C)=O,DULOIOKNMKTDRI-UHFFFAOYSA-N
-rxn:4:219498:228329,CCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c(Cl)cn1,DAICMZZWPNNVAN-UHFFFAOYSA-N
-rxn:4:219516:225600,CN1CC(CN2CCC(Oc3ncc(-c4cccnc4OC4CCCCC4)cn3)CC2)CC1=O,XOZXSLQDSWLIAJ-UHFFFAOYSA-N
-rxn:4:219565:225633,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCCC5)nc4)cc3)CC2)n1,QMHCCYYMOFNVKE-UHFFFAOYSA-N
-rxn:4:219565:226612,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)nc4)cc3)CC2)n1,SOABRHUZQJSRKE-UHFFFAOYSA-N
-rxn:4:219606:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(CC4CN(C(=O)c5ccc6ccccc6n5)C4)c3)c(F)cn2)CC1,DEFPUOXOJHOBJI-UHFFFAOYSA-N
-rxn:4:219623:224718,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)nc2)o1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,WKFYQFAJQZWKPY-UHFFFAOYSA-N
-rxn:4:219626:223927,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)c5nonc45)CC3)o2)cc2cccnc21,STORLSWRKGWGCS-UHFFFAOYSA-N
-rxn:4:219627:223294,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3csc(N4CCNCC4)n3)s1)C2,AGDMHQSPQXGSJC-UHFFFAOYSA-N
-rxn:4:219653:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c(Cl)c2)CC1,SEINGHRHIYHIAL-UHFFFAOYSA-N
-rxn:4:219689:225980,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc(N5CCOCC5)ncc4F)n3c2)CC1,PZXWHLKTXMTNPN-UHFFFAOYSA-N
-rxn:4:219744:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cncc(C(=O)N3CC(n4c(C(C)(C)C)nc5ccccc54)C3)c2)c(C(F)(F)F)c1,OOYDCZSJZBMVSN-UHFFFAOYSA-N
-rxn:4:219748:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(-c4cc(C(F)(F)F)n5nc(C(=O)N6CCCCCC6)cc5n4)cc3)cc2F)C1,ZYSQJNCUPCNETR-UHFFFAOYSA-N
-rxn:4:219795:223497,COCCn1nnnc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,PKBHIVHNWUPGRB-UHFFFAOYSA-N
-rxn:4:219853:224658,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cc2)CC1,NDZFSOZLQBORGV-UHFFFAOYSA-N
-rxn:4:219868:222543,CCN1CCN(c2c(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)cncc2[N+](=O)[O-])CC1,GYPILWIBRCUGGJ-UHFFFAOYSA-N
-rxn:4:219996:222465,c1cc(N2CCN(c3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)CC2)nc(C2CC2)n1,JFCIXPIGDYNVHV-UHFFFAOYSA-N
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-rxn:4:220136:225056,CC1CCCN(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(F)c2)C1,GSPYPYICLUUCIV-UHFFFAOYSA-N
-rxn:4:220136:225223,CC1CCN(c2cc(F)c(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cn2)CC1,KNZZOKALIGJDNM-UHFFFAOYSA-N
-rxn:4:220136:225226,CC1CCN(c2cc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)c(F)cn2)CC1,CFQKNSFIICTEDS-UHFFFAOYSA-N
-rxn:4:220136:225227,CC1CCN(c2ncc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2Cl)CC1,RILUPRIREVHODG-UHFFFAOYSA-N
-rxn:4:220137:225052,CC1CCCCN1c1cc(F)cc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)c1,SMEMNZVLQFNDFH-UHFFFAOYSA-N
-rxn:4:220137:225059,CC1CCN(c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c(Cl)c2)CC1,BHHXRWFSSFOPNP-UHFFFAOYSA-N
-rxn:4:220137:225061,CC1CCN(c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c(F)c2)CC1,HNTHCZTTWWPJLO-UHFFFAOYSA-N
-rxn:4:220137:225213,CN1CCN(c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c(Cl)c2)CC1,DQXZTHJNCWGWKA-UHFFFAOYSA-N
-rxn:4:220137:225223,CC1CCN(c2cc(F)c(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cn2)CC1,WETXSKIHNRIAHB-UHFFFAOYSA-N
-rxn:4:220137:225228,CN1CCN(c2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c(F)c2)CC1,HMKFAWQQGXUZHF-UHFFFAOYSA-N
-rxn:4:220159:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)cc2)CC1,BSPUJANFLXPJQD-UHFFFAOYSA-N
-rxn:4:220243:224301,CC1CCN(c2cc3c(cc2F)c(=O)c(-c2nc(-c4ccc(-c5cc(O[Si](C)(C)C(C)(C)C)cc(F)c5F)cc4)no2)cn3C)CC1,LMHYRPDPLVFPMC-UHFFFAOYSA-N
-rxn:4:220404:224325,CN1CCN(C(=O)c2cnn(C)c2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,ZMSWUTGYHIOLGE-UHFFFAOYSA-N
-rxn:4:220414:224796,Cc1c(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],OUCSGVGKZWEWBA-UHFFFAOYSA-N
-rxn:4:220429:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,UJQFYRQFNOYWDN-UHFFFAOYSA-N
-rxn:4:220519:223527,CCN1CCN(c2ncnc3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc23)CC1,RJSGHLKIXLHMJM-UHFFFAOYSA-N
-rxn:4:220536:222466,c1nc(N2CCN(C3CCC3)CC2)c2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)ccc2n1,VUEUIZXXVRBQSC-UHFFFAOYSA-N
-rxn:4:220947:223660,CN1CCN(c2ncnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc23)CC1,MQVNVSQPMHMBIE-UHFFFAOYSA-N
-rxn:4:221090:222771,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(F)c(C(=O)NC3CCCC3)c2)cn1,UORZWXCQYYWRBM-UHFFFAOYSA-N
-rxn:4:221090:224759,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cn1,OLMLVKWAQCUKNE-UHFFFAOYSA-N
-rxn:4:221094:224017,O=C(Cn1cnc(C2CC2)cc1=O)N1CC(Cn2cc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cn2)C1,HZBGJYMQSOAHHW-UHFFFAOYSA-N
-rxn:4:221098:225571,COC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)c(C2CC2)c1,FVGGJYIIIJPZQS-UHFFFAOYSA-N
-rxn:4:221098:226506,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cc(OCC5CC5)ncc4F)cn3)CC2)c(C(F)F)n1,HQTMYHLNGXFOCG-UHFFFAOYSA-N
-rxn:4:221148:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(OCC2CCCN(c3ncccc3C#N)C2)nc1,PFTHPPRHCXSREK-UHFFFAOYSA-N
-rxn:4:221159:222723,Cc1nc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)no1,VNEALPLTJYXBAD-UHFFFAOYSA-N
-rxn:4:221159:223660,Cc1nc(CN2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cn3)CC2)no1,LDRIHQLGCBJKKD-UHFFFAOYSA-N
-rxn:4:221169:223902,CC1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)cc2F)CC1,FYZGRDJAWVXTPQ-UHFFFAOYSA-N
-rxn:4:221171:223671,CCc1ncnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)c1F,BQIXPYQVRUVAAQ-UHFFFAOYSA-N
-rxn:4:221173:222584,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)ccc1=O,NCWGZPBRUYIXPU-UHFFFAOYSA-N
-rxn:4:221173:222902,COC(=O)CNC(=O)c1cccc(-c2cnc(OCC3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)nc2)c1,WUBYTCLPYKFZGS-UHFFFAOYSA-N
-rxn:4:221175:224693,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(-c5ccc(OC)cc5)c(Cl)c4)cn3)C2)C(=O)C1=O,RRNGZAMWWIILHH-UHFFFAOYSA-N
-rxn:4:221175:225132,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(-n5ccnc5C)cc4C#N)cn3)C2)C(=O)C1=O,AQGABWBKVFECCQ-UHFFFAOYSA-N
-rxn:4:221188:223886,CC(C)c1nccc(N2CCCC(COc3ncc(-c4cccc5c4CCN(C(=O)OC(C)(C)C)C5)cn3)C2)n1,LTECVENGIXTJKO-UHFFFAOYSA-N
-rxn:4:221193:224469,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cc(-c5ccco5)cc(C(C)(C)C)c4)cn3)C2)CC1,RNHUQQGPBHNABW-UHFFFAOYSA-N
-rxn:4:221194:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(OC4CCN(S(=O)(=O)c5cn(C)c(C(C)C)n5)CC4)nc3)c2)CC1,NNIMJVSMEOZVCO-UHFFFAOYSA-N
-rxn:4:221195:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)c2)CC1,HIYXRKRRMFZKBC-UHFFFAOYSA-N
-rxn:4:221230:223043,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)cn3)C1)CCC2,PAQLXWZFNHJEQL-UHFFFAOYSA-N
-rxn:4:221240:223084,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4)cn3)C1)CCC2,KDEKJMPCJPBYDD-UHFFFAOYSA-N
-rxn:4:221334:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ncccn6)no5)C4)c3)c2)CC1,DYFKFCOJNZMKJH-UHFFFAOYSA-N
-rxn:4:221360:223892,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cn(C)cn5)C4)nc3)cc2)CC1,MUZVGKJBWYOTHQ-UHFFFAOYSA-N
-rxn:4:221387:223536,Cc1ncnc(OCC2CCN(c3ncc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1C,ZAIDUFXXWKRFRJ-UHFFFAOYSA-N
-rxn:4:221391:222538,CSc1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,LGEIBSBGZKRXGZ-UHFFFAOYSA-N
-rxn:4:221395:224194,CCN1CCN(Cc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2Cl)CC1,RRMYXDKWGQZGKP-UHFFFAOYSA-N
-rxn:4:221401:222537,CN(C)c1ccnc(N2CCN(Cc3cccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)c3)CC2)n1,ZVPKPGFMNOZZFT-UHFFFAOYSA-N
-rxn:4:221440:223140,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,PJLWTTAOXPCDNO-UHFFFAOYSA-N
-rxn:4:221440:225212,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(N5CCN(C)CC5)c4)cc3)CC2)n1,XSXYYNIGFGKIBD-UHFFFAOYSA-N
-rxn:4:221449:223170,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,IOODIXBPFWUVLP-UHFFFAOYSA-N
-rxn:4:221449:228008,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C5CC5)c4)cc3)CC2)n1,VPSNYKDQJZFDJA-UHFFFAOYSA-N
-rxn:4:221452:222470,COc1ccc(CNC(=O)c2cccc(-c3cccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)c3)c2)cc1,UPEJOIFJAYOPBU-UHFFFAOYSA-N
-rxn:4:221456:227991,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4C4CC4)cc3)CC2)n1,LLCGQKZSRSEKDM-UHFFFAOYSA-N
-rxn:4:221485:224633,COc1ccc(CN2CCOCC2)cc1-c1c(C)n(S(=O)(=O)c2ncn(S(=O)(=O)N(C)C)n2)c2cc(F)ccc12,HUBBJADRJFPIBJ-UHFFFAOYSA-N
-rxn:4:221553:222634,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,ZXYXDBPFWLOABJ-UHFFFAOYSA-N
-rxn:4:221613:224127,CCN1CCN(C(C)c2ccc(-c3cncc(C(=O)N4CCN(c5ncc(F)cn5)C(=O)C4)c3)cc2)CC1,OWICUIHHZIDDJV-UHFFFAOYSA-N
-rxn:4:221645:224169,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4cccc(OCCCN5CCOCC5)c4)cn3)CC2)n1,XSXOIPPRXFEXPL-UHFFFAOYSA-N
-rxn:4:221723:223816,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc2)cc2c(Cl)ccnc21,DCPGPOWHWXYSLM-UHFFFAOYSA-N
-rxn:4:221726:222889,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cc(F)cc(CN4CCNCC4)c3)cn2)CC1,IBRBEPHFQBDTJT-UHFFFAOYSA-N
-rxn:4:221729:223660,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,ABCXWGWXARNEHG-UHFFFAOYSA-N
-rxn:4:221832:224702,Cc1c(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(F)c(OC2CCCC2)c1F,KQWWERXRNOMVGC-UHFFFAOYSA-N
-rxn:4:221836:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,PJDBSPKIOCJRKF-UHFFFAOYSA-N
-rxn:4:221836:224705,CC1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(F)c2F)CC1,TYPPBZNDSXUIAI-UHFFFAOYSA-N
-rxn:4:221836:225059,CC1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(Cl)c2)CC1,FPVXGFPCFUXWAT-UHFFFAOYSA-N
-rxn:4:221836:225061,CC1CCN(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(F)c2)CC1,CCTCZRGYWOSTNT-UHFFFAOYSA-N
-rxn:4:221836:225223,CC1CCN(c2cc(F)c(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,BHCOATVWQHWWQT-UHFFFAOYSA-N
-rxn:4:221938:223945,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)nn1,YLAAINRCSNCTKY-UHFFFAOYSA-N
-rxn:4:221977:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c2Cl)CC1,AYMKANSQDAITJM-UHFFFAOYSA-N
-rxn:4:221979:223050,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NC(C)C)c6)cc5)no4)C3C2=O)cc1,HFCAXFRDPUEQKW-UHFFFAOYSA-N
-rxn:4:221980:225868,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(N6CCOCC6)c(F)c5)c4)sc3n2)CC1,HYQOGIMWOWODSL-UHFFFAOYSA-N
-rxn:4:221983:222662,Cc1cc(C)n2c(-c3ccc(C(=O)Nc4ccccc4)c(F)c3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,HBYCVLNUBDOYCE-UHFFFAOYSA-N
-rxn:4:222062:223170,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,WISZFQPAJSPDAC-UHFFFAOYSA-N
-rxn:4:222062:228949,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)cc(F)cc4Cl)cc3)CC2)n1,GCTHIZAODXWTLI-UHFFFAOYSA-N
-rxn:4:222080:223569,Cc1nnc2ccc(N3CC(N(C)C(=O)c4cccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5F)c4)C3)nn12,MSRHLXZACQHRLG-UHFFFAOYSA-N
-rxn:4:222088:225294,CCN1CCN(c2ncc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)c3)cn2)CC1,VASQDERSNRCHDK-UHFFFAOYSA-N
-rxn:4:222140:223840,COc1ccc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCN(c5ccc(F)cc5)CC3)c3ccccc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UPGCHXLIGNGIFI-UHFFFAOYSA-N
-rxn:4:222164:222389,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)c1F,WJVSFWGGJXJPAD-UHFFFAOYSA-N
-rxn:4:222167:224325,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)c1C,IFTLBHMXKGJUSB-UHFFFAOYSA-N
-rxn:4:222174:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(C(=O)N5CC(n6ccnn6)C5)n(C)nc4c3)c2)CC1,KNKPBJJICRVAOA-UHFFFAOYSA-N
-rxn:4:222180:222694,N#Cc1ccc(N2CC3CCN(c4ncc(-c5cccc(S(=O)(=O)NC6CCCCC6)c5)cn4)C3C2)nc1,YKEBEBXRSHWBEA-UHFFFAOYSA-N
-rxn:4:222190:223531,Cc1nc2nc(N(C)C3CN(c4cnccn4)C3)ccc2c(C)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,QYSIUVIJKGOGJD-UHFFFAOYSA-N
-rxn:4:222226:222538,Cc1ccc(N2CC3CN(c4ncc(-c5cc(C6CCCC6)nc(C6CCNCC6)c5)cn4)CC3C2)nn1,KWQWUCPIPUWXLB-UHFFFAOYSA-N
-rxn:4:222320:223712,COc1ccc(-c2cnc(N3CCN(c4nccc(N(C)C)n4)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,YEWFWELSELQHJO-UHFFFAOYSA-N
-rxn:4:222329:222783,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)ccc1Cl,YVFJIRCIZHOXNT-UHFFFAOYSA-N
-rxn:4:222329:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)c1,KYNNRHSKUFMPCK-UHFFFAOYSA-N
-rxn:4:222333:224356,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cc2sc(Cl)cc21,HSHOSWVORKJZJH-UHFFFAOYSA-N
-rxn:4:222337:222998,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(F)cc(C5CCCNC5)c4)cn3)CC2)n1,GQSOYCVXATZNCY-UHFFFAOYSA-N
-rxn:4:222380:224061,CCCC1CCC(c2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c(F)c2)CC1,KOWCWOQQCYGDON-UHFFFAOYSA-N
-rxn:4:222389:178353,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2C)ccc1Cl,RBKYWPLKTXLYDW-UHFFFAOYSA-N
-rxn:4:222389:206668,CCc1nc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cn1C1CCCCO1,KUOAOZDXCPSKKK-UHFFFAOYSA-N
-rxn:4:222494:174649,COc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2F)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,FNXAKQVIFIXKTG-UHFFFAOYSA-N
-rxn:4:222613:189984,CCCNS(=O)(=O)c1ccc(-c2ccc(/C(C)=N/[S@](=O)C(C)(C)C)cc2)c(C(F)(F)F)c1,NQRKWPZWMYMXQY-LTVTZNOPSA-N
-rxn:4:222613:189985,CCCNS(=O)(=O)c1ccc(-c2cccc(C(C)=NS(=O)C(C)(C)C)c2)c(C(F)(F)F)c1,ZDCMRLSCVDQJCE-UHFFFAOYSA-N
-rxn:4:222621:215182,CC(C)Cc1cc(-c2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)cc(C2CCCNC2)n1,YRGPANJUVXSMNX-UHFFFAOYSA-N
-rxn:4:222630:207843,CCN1CCN(C2CCCc3cc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)ccc32)CC1,AGYODIGTMFVXKX-UHFFFAOYSA-N
-rxn:4:222742:204097,CC(C)N1CCN(C(C)c2ccccc2-c2cc(C3CCNCC3)nc(C3CC3)c2)CC1,OZWMYDLGALKXSV-UHFFFAOYSA-N
-rxn:4:222820:204897,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c4c([nH]c3c2)CN(C(=O)OC(C)(C)C)CC4)cc1F,ZYOADHUFEGKZKD-UHFFFAOYSA-N
-rxn:4:222880:199859,COc1ccc(C2=NN(C(=O)c3ccc(-c4cc(Cl)ccc4NC(=O)C(C)(C)C)o3)C(c3ccc(C)cc3)C2)cc1OC,KVYSWGFLJIUSHH-UHFFFAOYSA-N
-rxn:4:222942:214064,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)cc2N2CCOCC2)CC1,AZGCQCFRFVMZMX-UHFFFAOYSA-N
-rxn:4:222972:213947,CC1CN(C(=O)OC(C)(C)C)CCC1n1ccc(-c2ccccc2NC(=O)C(C)(C)C)n1,PEYKBAFYDXDXLV-UHFFFAOYSA-N
-rxn:4:223060:213948,Clc1cc(-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)cc(C2CCNCC2)n1,PKMZPJJLOXDDIM-UHFFFAOYSA-N
-rxn:4:223060:214854,Clc1cc(-c2cnc(OC3CCN(C4CCOCC4)CC3)nc2)cc(C2CCNCC2)n1,NENWDKJMXBBLGQ-UHFFFAOYSA-N
-rxn:4:223071:214830,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1,PHPLGQDSOULBEF-UHFFFAOYSA-N
-rxn:4:223093:187225,CC1CCN(C(=O)c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)c(OC(F)F)c2)CC1,VANPAGDQYGAADC-UHFFFAOYSA-N
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-rxn:5:180022:226374:223058,COc1c(-c2cc(F)nc(C3CCCNC3)c2)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,YVEIESQKDVGQRW-UHFFFAOYSA-N
-rxn:5:180022:227611:225453,COc1c(-c2cccc(SC3CCCCC3)c2)ccc(-c2ccnn2C2CCCCO2)c1C1OCCO1,VJKTYBGCOUJNCZ-UHFFFAOYSA-N
-rxn:5:180421:226686:227684,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1cnn(CC2OCCO2)c1,IQAGYSJNAQDDSC-UHFFFAOYSA-N
-rxn:5:180422:223140:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccnc(C2CCCNC2)c1,COUWDBQHINWEPJ-UHFFFAOYSA-N
-rxn:5:180422:226181:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2=CCCCC2)nc1,NFKGWKNILKEMOK-UHFFFAOYSA-N
-rxn:5:180506:226447:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2ccnc(C3CCOCC3)c2)cc(C(C)(C)C)cc1C1OCCO1,HQEQGYUMXNFJAT-UHFFFAOYSA-N
-rxn:5:180662:223000:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,VMWGJEPVYYXKLL-UHFFFAOYSA-N
-rxn:5:180662:223061:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,BSBUCGZRLLWKBN-UHFFFAOYSA-N
-rxn:5:180662:223064:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,PNPXNBZMBQSMGA-UHFFFAOYSA-N
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-rxn:5:180662:223295:223063,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cncc(NS(C)(=O)=O)c3)c2OC1,WQAIMOOGLGIJMJ-UHFFFAOYSA-N
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-rxn:5:180662:225976:227084,COC(=O)C1=Cc2cc(-c3ccc(C(C)(C)C)nc3C)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,JFTVJWPJUCAPNV-UHFFFAOYSA-N
-rxn:5:180662:225980:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,WABROIYFTPDEEQ-VOTSOKGWSA-N
-rxn:5:180662:226438:223138,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cnc(C4CCCC4)cc3F)c2OC1,NOJHBNFXLZUBKF-UHFFFAOYSA-N
-rxn:5:181904:222957:223002,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCNCC3)cc2F)cc(C2CCCNC2)c1,NQRZSFBNDDZVLW-UHFFFAOYSA-N
-rxn:5:181904:225832:226794,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cnc(N2CCSCC2)nc1,PQWFCGLDKNUZJH-UHFFFAOYSA-N
-rxn:5:181905:225394:225684,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,FNHIHGNFYIJHLZ-UHFFFAOYSA-N
-rxn:5:181907:222957:223062,Cc1cc(-c2cc(C)cc(C3OCCO3)c2-c2cnc(C3CCNCC3)cc2F)cc(C2CCCNC2)c1,KOHCXOJJMBGKAB-UHFFFAOYSA-N
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-rxn:5:181907:223138:225805,Cc1cc(-c2ccnc(C3CCNCC3)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,RSUDAVOZBANKIQ-UHFFFAOYSA-N
-rxn:5:181907:225394:222959,Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3CCNCC3)c(C)c2)c(C2OCCO2)c1,AOBHEMMCJKTGJG-UHFFFAOYSA-N
-rxn:5:181907:226686:222988,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(C)nc(C3CCNCC3)c2)c(C2OCCO2)c1,IMXGQRQDKRPHRF-UHFFFAOYSA-N
-rxn:5:181908:222986:223061,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cc(C3CCNCC3)ncc2F)cc(C2CCCNC2)n1,QBHCPGZOSBFKAK-UHFFFAOYSA-N
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-rxn:5:182013:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1C1CCOCC1,SJYNOCLBPYYHTF-UHFFFAOYSA-N
-rxn:5:183189:222960:225407,Cc1cc(-c2cc(-c3ccc(C4CCCCCC4)cc3)cc3c2OC(C)(C)OC3)cc(C2CCNCC2)c1,YTAJZAJUPHSVLT-UHFFFAOYSA-N
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-rxn:5:183189:226686:225677,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCCC3)nc2F)cc2c1OC(C)(C)OC2,CMFHJLMFCJBKFZ-UHFFFAOYSA-N
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-rxn:5:183228:225636:225985,CC1CCN(c2cc(-c3cc4c(c(-c5cccc(N6CCCS6(=O)=O)c5)c3)OC(C)(C)CC4)ccn2)CC1,YTNKYVTXYVWNHQ-UHFFFAOYSA-N
-rxn:5:183228:225638:225985,CC1CCN(c2ccc(-c3cc4c(c(-c5cccc(N6CCCS6(=O)=O)c5)c3)OC(C)(C)CC4)cn2)CC1,PQDYDLGZNOYMCY-UHFFFAOYSA-N
-rxn:5:183228:225655:225986,CC1CCN(c2cncc(-c3cc4c(c(-c5ccccc5N5CCCS5(=O)=O)c3)OC(C)(C)CC4)c2)CC1,VJULKFZQBOIDBQ-UHFFFAOYSA-N
-rxn:5:188253:223000:225880,COC(=O)c1cc(C#N)cc(-c2ccc(C3CCCNC3)c(F)c2)c1-c1cc(C2CCOCC2)ncc1F,XKWFAJPXIHWBCV-UHFFFAOYSA-N
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-rxn:5:188448:226414:225849,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)c([N+](=O)[O-])cc1-c1ccc(C2=NCCCO2)cc1,ZXGNCXNDNXPAQX-UHFFFAOYSA-N
-rxn:5:188461:226215:225592,CO/N=C1\CCc2cc(-c3cc([N+](=O)[O-])cc(C(=O)OC)c3-c3cc(F)ccc3CN3CCCC3)ccc21,YIJPMVQKPFPPPR-TVKQRKNISA-N
-rxn:5:188930:223135:226645,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccnc(N2CCOCC2)c1,HQRBBJOVSOFTRS-UHFFFAOYSA-N
-rxn:5:188932:223135:223135,COC(=O)c1cc(-c2cccnc2C2CCCNC2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,DMFLXOXOLBJBGX-UHFFFAOYSA-N
-rxn:5:189000:226778:225832,COc1cc(-c2cc(OC(C)C)c([N+](=O)[O-])cc2-c2c(C)nn(C3CCCCO3)c2C)c(F)c(F)c1OC,ZIWLLRNXVMTJJO-UHFFFAOYSA-N
-rxn:5:189001:226053:226328,COC(=O)C1(c2nc(-c3ccc(C(C)(C)C#N)c(F)c3)ccc2-c2ccc(F)c(OC(F)(F)F)c2F)CC1,BOWGBGPNZKRGHM-UHFFFAOYSA-N
-rxn:5:189208:227021:226738,CC(=O)c1ccc(-c2cc(-c3ccc(C4(C#N)CC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])c1,VGMXOPNAGPGNTQ-UHFFFAOYSA-N
-rxn:5:189212:222985:228510,Cc1nc(C2CCCNC2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccccc1C(C)C,NYGFPYPJWJENDR-UHFFFAOYSA-N
-rxn:5:189449:226763:226765,COC(=O)c1ccc(-c2ccc(-c3cc(F)c(C(=O)OC)c(F)c3)c(C(=O)N3CC(OC)C3)c2)c(F)c1F,OVGYMLFQRCGYKG-UHFFFAOYSA-N
-rxn:5:189665:226662:227297,CN(C)Cc1ccc(F)c(-c2cc(-c3ccc(N4CCN(C)CC4)s3)cnc2OCC2CCOCC2)c1,YTWQNQBTGLJFNY-UHFFFAOYSA-N
-rxn:5:189666:226059:223018,CC(C)c1ccc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C(C)C)c1,CKTCUELRYGXRRJ-XMPQRMRXSA-N
-rxn:5:189676:226881:226212,CON=C1CCc2cc(-c3ccc(CC(=O)N4CCCC4)cc3-c3c(F)c(F)c(OC)c(F)c3F)ccc21,AMFUDONZEAJKSG-UHFFFAOYSA-N
-rxn:5:189826:223062:223215,O=C1CCc2ccc(-c3ccc(CC(=O)N4CCOCC4)c(-c4cnc(C5CCNCC5)cc4F)c3)cc2N1,YNQXOMMNVKSOBU-UHFFFAOYSA-N
-rxn:5:189826:226189:228210,O=C(Cc1ccc(-c2ccc(N3CCCC3)s2)cc1-c1ccc(C2CCCC2)c(F)c1)N1CCOCC1,ULIYUCNLNDFVHV-UHFFFAOYSA-N
-rxn:5:189829:226330:225622,COc1c(-c2ccc(C(C)N3CCCC3)s2)cc(C(=O)N2CCCC2)cc1-c1ccccc1OC1CCCCO1,OMSSCDMXIDGHQS-UHFFFAOYSA-N
-rxn:5:189908:225587:227554,COC(=O)c1c(F)cccc1-c1ncc(-c2cccc(CN3CCOCC3)c2)cc1OCC1CCCCC1,LVDSTXHUMHXXRB-UHFFFAOYSA-N
-rxn:5:189909:225976:227020,Fc1c(-c2ccc(-c3cncc(C#CC4CC4)c3)cc2CCN2CCOCC2)ccnc1N1CCOCC1,XUVVLZYNEUBMQD-UHFFFAOYSA-N
-rxn:5:189952:225784:227316,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)nc(CC(C)C)c1,GRJXCXCURWMINC-UHFFFAOYSA-N
-rxn:5:189952:227497:227035,COc1c(-c2cc(C#N)cc(C3CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(OC(C)C)nc1C,HNLJGRWFSWJANC-UHFFFAOYSA-N
-rxn:5:190000:222995:226345,COC(=O)c1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(N4CCCC(O)C4)c3)c2)c(C)cc1C,SEKHHHYIKIJZKP-UHFFFAOYSA-N
-rxn:5:190000:226431:223008,O=C(Cc1ccc(-c2cc(C3CCNCC3)ccc2F)cc1-c1ccc(N2CCCC2)c(F)c1)N1CCCCC1,UARJZAKPJHHRHX-UHFFFAOYSA-N
-rxn:5:190128:226141:227057,COc1cccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccccc2OC2CCCC2)c1C1CC1,VPEWYOOSLGIKEJ-UHFFFAOYSA-N
-rxn:5:190128:226729:223201,COC1CCN(C(=O)c2ccc(-c3cnc(OC4CCOC4)nc3)c(-c3ccccc3C3CCNC3)c2)CC1,MXFOCZJHMSBVFL-UHFFFAOYSA-N
-rxn:5:190128:228379:223113,COC1CCN(C(=O)c2ccc(-c3cc(F)c(F)cc3C#N)c(-c3ccc4c(c3)C(C)(C)C(=O)N4)c2)CC1,VZQQQXWSTAMKRR-UHFFFAOYSA-N
-rxn:5:190131:226329:226924,COc1c(-c2ccc(C3(C#N)CC3)c(F)c2)cc(C(=O)N2CCCCC2)cc1-c1cc(C)cc(C2CC2)c1C,MZJWZDOUTQDUPS-UHFFFAOYSA-N
-rxn:5:190177:223251:225803,O=C1COc2cc(-c3ccc(N4C(=O)CC(Sc5ccc(-c6ccnc(OC7CCOCC7)c6)cc5)C4=O)cc3)ccc2N1,XQHNLYZKBLYLSK-UHFFFAOYSA-N
-rxn:5:190194:227054:226150,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCC3)c2)ccc1C1CC1,XCRVJNBAGQBAOJ-UHFFFAOYSA-N
-rxn:5:190195:223062:223113,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,MPAKDSDWHJUCGW-UHFFFAOYSA-N
-rxn:5:190195:225978:223113,CN(Cc1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,BRQYZHKOVRRHER-UHFFFAOYSA-N
-rxn:5:190195:227684:223113,CN(Cc1ccc(-c2cnn(CC3OCCO3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,HVSXSFDWUCQSDI-UHFFFAOYSA-N
-rxn:5:190196:223173:226177,CN(Cc1ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1-c1ccnc(C2CCCCC2)c1)C1CCOCC1,FORRWFBDCBBYER-UHFFFAOYSA-N
-rxn:5:190196:223439:223058,CN(Cc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1-c1cc(F)nc(C2CCCNC2)c1)C1CCOCC1,SNYXKGNCDZOXOM-UHFFFAOYSA-N
-rxn:5:190197:222417:225598,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2cccc(CN3CCSCC3)c2)ccc1CN(C)C1CCOCC1,RMJKCVHSHYBVIH-UHFFFAOYSA-N
-rxn:5:190199:226424:228324,COc1cc(-c2ccc(-c3cc(N4CCCC(C)C4)cs3)c(CN(C)C3CCOCC3)c2)c(OC)cn1,GSGGAGTZFPEMSD-UHFFFAOYSA-N
-rxn:5:190199:226864:222415,CN(Cc1cc(-c2ccc(F)c(S(N)(=O)=O)c2)ccc1-c1cc(F)c(OC(F)F)c(F)c1)C1CCOCC1,JNZXQYJAWGMBAD-UHFFFAOYSA-N
-rxn:5:190200:226427:226662,CC1CCN(c2csc(-c3cc(CN(C)C4CCOCC4)cc(-c4ccc(N5CCN(C)CC5)s4)c3)c2)CC1,ULFOYDVCNHPTRW-UHFFFAOYSA-N
-rxn:5:190231:227379:223056,COc1c(-c2ccc(N3CCC(O)CC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccnc1N1CCCC1,SXIKPYOUKVWXMT-UHFFFAOYSA-N
-rxn:5:190264:226437:226848,COc1ccc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2cc(C3CCCC3)ncc2F)c(C(F)(F)F)n1,GCAABFAYQLQCJC-UHFFFAOYSA-N
-rxn:5:190265:227724:225595,CC1CCCN(C(=O)Cc2ccc(-c3ccc(F)c(CN4CCCC4)c3)c(-c3cc(OC(F)F)ccc3F)c2)C1,CAAGTDGKMKXSTP-UHFFFAOYSA-N
-rxn:5:190307:226603:226449,COC(=O)c1cc(F)c(C)c(-c2ccc(-c3ccccc3C3(C)OCCO3)c(CCN3CCC(C)CC3)c2)c1,DQPQOTRBKFEMTO-UHFFFAOYSA-N
-rxn:5:190307:227166:226045,CC1CCN(CCc2cc(-c3ccc4c(c3)OCCN4C)ccc2-c2ccc(C(F)(F)C(F)(F)F)nc2)CC1,KXMVLVARWOGGOG-UHFFFAOYSA-N
-rxn:5:190335:222983:225832,COc1c(-c2cccc(CN3CCC(O)C3)c2)cc(C(=O)N2CCCCC2C)cc1-c1c(C)nn(C2CCCCO2)c1C,SSWPGUUMFQITGH-UHFFFAOYSA-N
-rxn:5:190335:226571:227977,COc1cc(C)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3cnn(CC4CCOCC4)c3)c2OC)cc1C,BSUHKJAXZNNHBS-UHFFFAOYSA-N
-rxn:5:190336:225671:227917,CCc1ccc(OC)c(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(C4CCCCC4)ncc3F)c2OC)c1,DJYUIKXLIBQWPF-UHFFFAOYSA-N
-rxn:5:190336:226164:228679,COc1c(-c2ccc(N3CCCCC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1cnn(CC2CC2)c1,IXAHWWZRGXBIKK-UHFFFAOYSA-N
-rxn:5:190404:228181:226040,COCc1cc(F)ccc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)CC2)o1,OBZOTXYUQARHTB-UHFFFAOYSA-N
-rxn:5:190404:228393:226053,COc1c(F)cc(F)cc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3ccc(F)c(OC(F)(F)F)c3F)CC2)o1,CDHUBMBSLRYANK-UHFFFAOYSA-N
-rxn:5:190418:225794:228567,CCC(C)c1sccc1-c1ccc(N2C(=O)CC(Cc3ccc(-c4cnc(OC5CCCCC5)nc4)cc3)C2=O)c(C)c1,CGVLJNYOSURRCP-UHFFFAOYSA-N
-rxn:5:190418:226749:227369,COc1cccc(C(F)(F)F)c1-c1ccc(CC2CC(=O)N(c3ccc(-c4cc(F)ccc4OC4CC4)cc3C)C2=O)cc1,ZXAZNZCSGUVFLJ-UHFFFAOYSA-N
-rxn:5:190459:222980:225666,O=C(c1ccccc1-c1ccc(CN2CCNCC2)cc1)N1CCSC(c2ccccc2-c2cc(F)cc(N3CCCCC3)c2)CC1,GROOJDNLMCLHJF-UHFFFAOYSA-N
-rxn:5:190484:223135:223147,O=C(c1cccc(-c2cccnc2C2CCCNC2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,ASTDCKGFBNOJRX-UHFFFAOYSA-N
-rxn:5:190484:223139:227501,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,RMKYXYXYHUHLCD-UHFFFAOYSA-N
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-rxn:5:194058:223054:223001,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(C3CCCNC3)ccc2F)s1)N1CCC(O)C1,YTQVEOKNJSWCHE-UHFFFAOYSA-M
-rxn:5:194058:223054:225634,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cnc1N1CCCCC1,LXICLTOUNWTXLI-UHFFFAOYSA-M
-rxn:5:194058:223054:225641,CC1CCCN(c2cc(-c3cc4[nH]cc(OS(=O)(=O)[O-])c4cc3-c3ccc(C(C)N4CCC(O)C4)s3)ccn2)C1,URSPUXBGZHRHPA-UHFFFAOYSA-M
-rxn:5:194058:225435:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccccc2CN2CCCCC2)s1)N1CCCCC1,NSXBXJLAUGBNNP-UHFFFAOYSA-M
-rxn:5:194058:225436:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCCCC3)cc2)s1)N1CCCCC1,JUDAAFBVYYCBLJ-UHFFFAOYSA-M
-rxn:5:194058:225607:222956,Cc1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCCC3)s2)c(C2CCCNC2)c1,DWFASMXLYNMOHD-UHFFFAOYSA-M
-rxn:5:194058:225607:222957,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCCC3)s2)cc(C2CCCNC2)c1,BIAUWQYTKZVGNZ-UHFFFAOYSA-M
-rxn:5:194058:225805:225679,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCCCC3)cc2F)s1)N1CCOCC1,IQXFBPVUHXDILO-UHFFFAOYSA-M
-rxn:5:194058:226330:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCC3)s2)s1)N1CCCCC1,HKTIVEKPGNTNPT-UHFFFAOYSA-M
-rxn:5:194058:226424:225607,CC1CCCN(c2csc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCCCC4)s3)c2)C1,QHGKOACURPCBSH-UHFFFAOYSA-M
-rxn:5:194058:226427:225805,CC1CCN(c2csc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCOCC4)s3)c2)CC1,USWSLSJUPDHFPZ-UHFFFAOYSA-M
-rxn:5:194398:226136:226605,Cc1cc(C#N)c(-c2ccc(C(=O)N3CC4CC4C3)c(-c3cc(F)c(OC(C)C)cc3F)c2)cc1C1CC1,APYUBWRVWPMDFD-UHFFFAOYSA-N
-rxn:5:194522:225985:226176,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccncc1C1CCCCC1,ZIHCDTXQSBVFAW-UHFFFAOYSA-N
-rxn:5:194522:226183:225985,CC(C)CN1CCc2c1ccc(-c1cnccc1C1CCCCC1)c2-c1cccc(N2CCCS2(=O)=O)c1,UPHXIZKSCNQVOV-UHFFFAOYSA-N
-rxn:5:194561:227185:223192,CNS(=O)(=O)c1cc(-c2ccc(-c3ccc4c(c3)N(C)CCO4)cc2C(=O)N2C3CCC2COC3)ccc1F,NWDSVHUATLJUON-UHFFFAOYSA-N
-rxn:5:194688:226182:226141,COc1cc(-c2ccccc2OC2CCCC2)cc2c1OCC(=O)N(c1ccc(-c3cccnc3C3CCCCC3)cc1)C2,LTNZIVQVEQBPPZ-UHFFFAOYSA-N
-rxn:5:194688:227018:225625,COc1cc(-c2cc(OC3CCCC3)ccc2F)cc2c1OCC(=O)N(c1ccc(-c3ccc(C(C)(C)C#N)cc3)cc1)C2,SWWMDTCAUSXCNW-UHFFFAOYSA-N
-rxn:5:194733:225470:225617,CC1CCN(c2ccc(-c3ccc(-c4ccc(OC5CCCCO5)cc4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cc2)CC1,XNTGSAIFICTOLR-UHFFFAOYSA-N
-rxn:5:194767:227088:228135,CCOc1cc(C)ncc1-c1ccc(-c2cc(C)nc(C(C)(C)C)c2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,VOUVFVXOIVSYBN-UHFFFAOYSA-N
-rxn:5:194791:227691:226078,COc1cc2ccccc2cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc([N+](=O)[O-])c(OC)c4)C(=O)C23)cc1,AZQNJTXOTRMSDH-UHFFFAOYSA-N
-rxn:5:194792:223002:226209,COc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(C7CCNCC7)cc6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c2cccnc12,QXXPAEFIRDMFOH-UHFFFAOYSA-N
-rxn:5:194792:228137:226179,CCOc1ncc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cncc(C7CCCCC7)c6)cc5)C(=O)C34)cc2)cc1C,CVBOFUZUPSAXRB-UHFFFAOYSA-N
-rxn:5:194792:228220:228521,Cc1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cc(C(C)C)ncc6F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc(C)c1C,ZYGPYHOHKZAXPG-UHFFFAOYSA-N
-rxn:5:196198:226144:225833,C[Si](C)(C)C#Cc1ccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2ccnc(N3CCCCC3)c2F)cc1,SBAGLBPHPVSCBL-UHFFFAOYSA-N
-rxn:5:196791:226583:223006,O=C1COCCN1c1cccc(-c2ccc(CN3CCOCC3)s2)c1-c1ccc(F)c(C2CCNCC2)c1,UDWOHAXHLZIRFH-UHFFFAOYSA-N
-rxn:5:196795:226412:225634,Cc1cc(-c2ccc(N3CCOCC3=O)cc2-c2cc(F)cc(N3CCCC3)c2)cnc1N1CCCCC1,MAWPJKOJWWVNLM-UHFFFAOYSA-N
-rxn:5:196858:222998:222986,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2cc(F)cc(C3CCCNC3)c2)cc(C2CCCNC2)n1,GCPIJQXXZPESJF-UHFFFAOYSA-N
-rxn:5:196858:225638:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ncc1-c1ccc(N2CCC(C)CC2)nc1,XYHHWSXKUHHJLJ-UHFFFAOYSA-N
-rxn:5:196858:226652:223007,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cc(F)cc(C3CCNCC3)c2)n(C2CCCCO2)n1,SGAOEKUFOKNGGO-UHFFFAOYSA-N
-rxn:5:196859:223001:222988,Cc1cc(-c2nccc(C3CCOCC3)c2-c2cc(C3CCCNC3)ccc2F)cc(C2CCNCC2)n1,UAQFOEDNSWWGAU-UHFFFAOYSA-N
-rxn:5:196859:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1cnccc1C1CCCNC1,JPODQLKDSPKYSZ-UHFFFAOYSA-N
-rxn:5:196917:225849:223173,CC1(C)COC(c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2cnc(N3CCCCC3)cc2F)=N1,JEOLOKDSSANBJH-UHFFFAOYSA-N
-rxn:5:196917:225985:226182,CC1(C)COC(c2cc(-c3cccnc3C3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,JFDWGLDVUMVUHN-UHFFFAOYSA-N
-rxn:5:196918:225636:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1c(-c2ccnc(N3CCC(C)CC3)c2)cccc1N1CCCCC1=O,KEQFNNAUVKSYPX-UHFFFAOYSA-N
-rxn:5:196919:223173:223065,CC1(C)COC(c2ccc(-c3ccc4c(c3)C(O)CS4(=O)=O)cc2-c2ccc(N3CCNCC3)cc2F)=N1,QTKISUNXBJDNFG-UHFFFAOYSA-N
-rxn:5:196919:225636:223173,CC1CCN(c2cc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)ccn2)CC1,QRAATGWCHDRJHO-UHFFFAOYSA-N
-rxn:5:196919:225661:226037,COc1c(C(F)(F)F)ccc(-c2cc(-c3ccc(N4CCOCC4)cc3C)ccc2C2=NC(C)(C)CO2)c1F,LHOSPQHQLFISMO-UHFFFAOYSA-N
-rxn:5:196919:225822:222404,CC1(C)COC(c2ccc(-c3cccc(C(F)(F)F)c3C3CC3)cc2-c2ccc(C3NC(=O)NC3=O)cc2)=N1,LKILGKDUEINJAM-UHFFFAOYSA-N
-rxn:5:196919:225926:226177,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2ccnc(C3CCCCC3)c2)=N1,FLWVAQLAQMFIAJ-UHFFFAOYSA-N
-rxn:5:196919:226177:225926,CC1(C)COC(c2ccc(-c3ccnc(C4CCCCC4)c3)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)=N1,GGCZSRFWOHGRDQ-UHFFFAOYSA-N
-rxn:5:196919:226182:225985,CC1(C)COC(c2ccc(-c3cccnc3C3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,YYHREXDWDNKBLP-UHFFFAOYSA-N
-rxn:5:196919:227279:225986,CC(C)n1nc(C2CC2)cc1-c1ccc(C2=NC(C)(C)CO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,FOPJHAKUGCPLPT-UHFFFAOYSA-N
-rxn:5:196922:226181:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(C3=CCCCC3)nc2)cc(N2CCCCC2=O)c1,NSNYEAIOYKLCBN-UHFFFAOYSA-N
-rxn:5:196970:225462:225985,CC1CCN(c2cccc(-c3c(C4CCCCC4)ccnc3-c3cccc(N4CCCS4(=O)=O)c3)c2)CC1,HXLXREXGOMLDKG-UHFFFAOYSA-N
-rxn:5:196970:225470:225985,CC1CCN(c2ccc(-c3c(C4CCCCC4)ccnc3-c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1,MFPSTQBMGMJTII-UHFFFAOYSA-N
-rxn:5:196971:223147:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CNCCO3)cc2)ncc1C1CCCCC1,RSIAVNFYTBOHIC-UHFFFAOYSA-N
-rxn:5:196977:225636:225985,CC1CCN(c2cc(-c3ccc(N4CCCCC4)cc3-c3cccc(N4CCCS4(=O)=O)c3)ccn2)CC1,NWRMZPVFZWYJJB-UHFFFAOYSA-N
-rxn:5:196977:225656:225985,CC1CCCCN1c1cncc(-c2ccc(N3CCCCC3)cc2-c2cccc(N3CCCS3(=O)=O)c2)c1,CLNVKOCHHOLFMT-UHFFFAOYSA-N
-rxn:5:196979:223018:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc(N2CCCCC2)c1,AENNPYMCUDVVEM-UHFFFAOYSA-N
-rxn:5:197876:223202:227381,CC(C)(C)N1C(=O)c2cc(-c3cnc(C4CCCC4)nc3)c(-c3ccc(C4(O)CCC4)cc3)cc2S1(=O)=O,VQXCDTSUVMTSLC-UHFFFAOYSA-N
-rxn:5:197876:223218:227387,Cc1c(-c2cc3c(cc2-c2ccnc(N4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc2c1NCCO2,JUUIILLKLIFIQQ-UHFFFAOYSA-N
-rxn:5:199129:223002:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCNCC3)cc2F)cc2c1OCCN=C2,PKLZWZFAQFTXOL-UHFFFAOYSA-N
-rxn:5:199280:225833:225926,CN1C(=O)CCc2c1ccc(-c1ccnc(N3CCCCC3)c1F)c2-c1ccc(S(=O)(=O)N2CCC2)cc1,ILTJKRGKBATUOP-UHFFFAOYSA-N
-rxn:5:222981:181908:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(NC3CCCCC3)c2)cc(C2CCNCC2)c1,KTKINIAQUBKLNB-UHFFFAOYSA-N
-rxn:5:222998:194058:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)cc(C3CCCNC3)c2)s1)N1CCCCC1,UZRYCGJLMNNIFN-UHFFFAOYSA-M
-rxn:5:225454:193972:229023,Cc1cc(C)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2C)cn1,SDVJDBXIOIEURW-UHFFFAOYSA-N
-rxn:5:225515:193869:228584,Cc1cc(-c2cccc3c2OCC(C)(C)CO3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CC2)c1,PGNXCWCTTLPVHV-UHFFFAOYSA-N
-rxn:5:225636:196918:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1c(-c2ccnc(N3CCC(C)CC3)c2)cccc1N1CCCCC1=O,KEQFNNAUVKSYPX-UHFFFAOYSA-N
-rxn:5:225636:196919:223173,CC1CCN(c2cc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)ccn2)CC1,QRAATGWCHDRJHO-UHFFFAOYSA-N
-rxn:5:225656:196978:225986,CC1CCCCN1c1cncc(-c2ccc(N3CCCCC3)c(-c3ccccc3N3CCCS3(=O)=O)c2)c1,MEYVBDWFFZDSLE-UHFFFAOYSA-N
-rxn:5:225671:196970:222986,Cc1cc(-c2nccc(C3CCCCC3)c2-c2cc(C3CCCCC3)ncc2F)cc(C2CCCNC2)n1,KVTSGUPXBYUKLZ-UHFFFAOYSA-N
-rxn:5:225683:181906:222981,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1ccnc(NC2CCCCC2)c1,QOOHNUDDROGIJD-UHFFFAOYSA-N
-rxn:5:225832:180421:223135,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1cccnc1C1CCCNC1,NSOJLDOLDBWHSW-UHFFFAOYSA-N
-rxn:5:225832:182010:227386,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCC3)c2)ccc1C1CCOCC1,NEPWHLDKKYMJON-UHFFFAOYSA-N
-rxn:5:225832:183189:225674,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCCC3)cc2F)cc2c1OC(C)(C)OC2,HVSUCYCQYVJUSZ-UHFFFAOYSA-N
-rxn:5:225832:196859:225884,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2COCCO2)c(F)c1,BQUSLYAMOUNJCB-UHFFFAOYSA-N
-rxn:5:225832:196859:226177,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccnc(C2CCCCC2)c1,FUBRRGYESGWJGG-UHFFFAOYSA-N
-rxn:5:225833:181624:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1C1OCCO1,QAXMTJDPMBAVAG-UHFFFAOYSA-N
-rxn:5:225926:196919:226177,CC1(C)COC(c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2ccnc(C3CCCCC3)c2)=N1,FLWVAQLAQMFIAJ-UHFFFAOYSA-N
-rxn:5:225985:183228:225638,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCCS5(=O)=O)c4)cc4c3OC(C)(C)CC4)cn2)CC1,YXAKGENPTDARNA-UHFFFAOYSA-N
-rxn:5:225985:194522:226176,CC(C)CN1CCc2c1ccc(-c1cccc(N3CCCS3(=O)=O)c1)c2-c1ccncc1C1CCCCC1,ZIHCDTXQSBVFAW-UHFFFAOYSA-N
-rxn:5:225985:196977:225656,CC1CCCCN1c1cncc(-c2cc(N3CCCCC3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)c1,RMLPTFQFQZCVAO-UHFFFAOYSA-N
-rxn:5:226058:178295:227311,CCC(C)c1cc(F)c(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,SIERYPHDWHCITO-UHFFFAOYSA-N
-rxn:5:226059:178295:228333,COC(=O)C1(c2cc(-c3c(SC)ccnc3OC)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,QPSICGZSIPJMNE-UHFFFAOYSA-N
-rxn:5:226061:178295:227815,CCC(C)c1ccccc1-c1ccc(-c2cc(C(C)C)cc(C3CC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,NLCODLHJOKGEDF-UHFFFAOYSA-N
-rxn:5:226062:177731:223018,CC(C)c1cc(-c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2C(=O)OC(C)(C)C)cc(C(C)C)c1,PAGFWJXQXQDYJH-UHFFFAOYSA-N
-rxn:5:226067:178295:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KAECFJHQISQGBE-UHFFFAOYSA-N
-rxn:5:226070:178295:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc3c(ccn3C(C)C)c2)CCC(=O)CC1,COKJGGOAVQAFAC-UHFFFAOYSA-N
-rxn:5:226084:178295:228616,COC(=O)C1(c2cc(-c3ccc(SC)cc3C)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,FEWJVCIKYOIFAM-UHFFFAOYSA-N
-rxn:5:226144:178295:228555,COCc1ccccc1-c1ccc(-c2ccc(C#C[Si](C)(C)C)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,PBEODSIMLUGMFG-UHFFFAOYSA-N
-rxn:5:226152:190194:226907,COc1cc(C2CC2)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc3c2CCC32CC2)c1C,FPDWAFQCOIHDEY-UHFFFAOYSA-N
-rxn:5:226154:178295:225422,COC(=O)C1(c2cc(-c3ccc(N(C)C)c4ccccc34)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,ATJKZCJISFSQGE-UHFFFAOYSA-N
-rxn:5:226174:196919:225985,CC1(C)COC(c2ccc(-c3ccc(C4CCCCC4)nc3)cc2-c2cccc(N3CCCS3(=O)=O)c2)=N1,XOVGCAMBKNQZCP-UHFFFAOYSA-N
-rxn:5:226181:193869:227958,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CCC2)c1,YMFPZMWUXFBEPN-UHFFFAOYSA-N
-rxn:5:226181:193870:228078,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)COC3=O)cc1-c1ccc(C2=CCCCC2)nc1,NPCHGHPHBDYIER-UHFFFAOYSA-N
-rxn:5:226181:193870:228236,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(F)c2C2CC2)cc1-c1ccc(C2=CCCCC2)nc1,ZKBMLGFQKPBJET-UHFFFAOYSA-N
-rxn:5:226181:193972:228530,Cc1cc(-c2ccc(C3=CCCCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)OCC2,BRLXKBWFKVHKIK-UHFFFAOYSA-N
-rxn:5:226183:180022:225808,COc1c(-c2cc(OC3CCCC3)ncc2F)ccc(-c2cnccc2C2CCCCC2)c1C1OCCO1,PKRNNRAMGOHHBQ-UHFFFAOYSA-N
-rxn:5:226330:194058:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCCC3)s2)s1)N1CCCCC1,HKTIVEKPGNTNPT-UHFFFAOYSA-M
-rxn:5:226364:193870:226913,CCc1cc(-c2cc(-c3ccc(N4CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,JNLYZCRSMHOODJ-UHFFFAOYSA-N
-rxn:5:226364:193870:227836,Cc1ccc(-c2cc(-c3ccc(N4CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c(C2CC2)c1,PNUUUMJMYMHCKS-UHFFFAOYSA-N
-rxn:5:226366:193870:226913,CCc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cc(C2CC2)c1,KMNIKXQSVYITIA-UHFFFAOYSA-N
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-rxn:5:227352:178295:227942,CCc1ccc(-c2ccc(-c3cc(C)ccc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,DDYRLMRHFFFJTG-UHFFFAOYSA-N
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-rxn:5:227379:193972:227837,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccnc3N3CCCC3)cc2C)cc(C2CC2)c1,VJBHQXKBLXUKII-UHFFFAOYSA-N
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-rxn:5:227390:179840:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(O[C@@H]2CCOC2)ccc1-c1ccnn1C1CCCCC1,VMJLYYPDZLTVLF-RIBGEGAISA-N
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-rxn:5:227574:190194:227103,COc1c(F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2sccc2C2CCCCC2)c1OC,JXOIZCKIOMRBSR-UHFFFAOYSA-N
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-rxn:5:227591:178295:228107,CCC(C)c1ncncc1-c1ccc(-c2ccc(C(F)F)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,ARQZYQMODUPXHB-UHFFFAOYSA-N
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-rxn:5:227807:178295:227566,COC(=O)C1(c2cc(-c3ccc(OC)c(F)c3OC)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,BRVLYVBOPPDKQF-UHFFFAOYSA-N
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-rxn:5:227812:178295:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2cccc(CC(C)C)c2)CCC(=O)CC1,ACIFFJHKNRZXGA-UHFFFAOYSA-N
-rxn:5:227816:178295:226059,CCCc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,LQNRHWVXUVTJSZ-UHFFFAOYSA-N
-rxn:5:227819:191026:226917,CCc1cc(CC)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)cc(C(C)(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)c1,UUQPJESVPDXXHU-UHFFFAOYSA-N
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-rxn:5:227833:178295:227523,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C)ncc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,ZMECNPYGWUNVJY-UHFFFAOYSA-N
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-rxn:5:227838:193870:226366,Cc1ccc(C2CC2)c(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,YMQUGFQNIJDNGI-UHFFFAOYSA-N
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-rxn:5:227922:178295:227696,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C(=O)OC)nc2F)cc1C1(C(=O)OC)CCC(=O)CC1,XIQGZBZGIBNTIG-UHFFFAOYSA-N
-rxn:5:227926:178295:226968,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)C4)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,LIAIRCXXYITWNJ-UHFFFAOYSA-N
-rxn:5:227941:178295:227346,CCCc1cc(F)c(-c2ccc(-c3cc(C)cc(COC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,UHZGRYGEJKYARC-UHFFFAOYSA-N
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-rxn:5:227958:193869:226181,Cc1cc(-c2ccnc(C3CCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,QLHARGKBGNNNGX-UHFFFAOYSA-N
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-rxn:5:228779:178295:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2cc(F)ccc2OC)CCC(=O)CC1,ZDGSEIZUNRESGO-UHFFFAOYSA-N
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-rxn:5:229023:193972:225454,Cc1cc(C)c(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCCC2)cn1,LQBIUQRUNCBHHG-UHFFFAOYSA-N
-rxn:5:229223:193972:225849,Cc1cc(-c2c(C)csc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCCC2)cc1F,NZGULWRWZUXRPO-UHFFFAOYSA-N
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-rxn:4:174375:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(OC)cc3C(C)(C)C(=O)OC)cc2)CC1,HXDQQAMEPWDCJJ-HZCBDIJESA-N
-rxn:4:174389:223559,COC(=O)c1ccc(OCc2ccc(C)cc2)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,OHOJNUYYJAUDGJ-UHFFFAOYSA-N
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-rxn:4:174407:224688,COC(=O)C1(c2cccc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)c2)CC(OC)(OC)C1,DUXBTAKHRCNULM-UHFFFAOYSA-N
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-rxn:4:175304:223670,COC(=O)Cc1cc(C)c(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,QEBWMVQDHQRSOX-UHFFFAOYSA-N
-rxn:4:175702:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)ccc3C(C)(C)C(=O)OC)cc2)CC1,RNCVLVDAWCTYHH-HZCBDIJESA-N
-rxn:4:175733:222703,COc1ccc(F)c(C(=O)OC(C)(C)C)c1-c1ccc(C(F)(F)F)c(C2CCNCC2)c1,UNQSXCCLEKIPPX-UHFFFAOYSA-N
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-rxn:4:176018:224424,CCCC1CCC(c2ccc(-c3cc(OC)c(OCC4CCCCC4)cc3F)cc2)CC1,VVDHONGIDFCIBR-UHFFFAOYSA-N
-rxn:4:176050:225318,COc1cc(C2OCCCO2)c(-c2c(F)cc(N3CCOCC3)cc2F)c(OC)c1OC,TWWDIAYCKRAFGI-UHFFFAOYSA-N
-rxn:4:176124:224426,O=C(Oc1ccccc1-c1cc(C2CCCCC2)cc(C2CC2)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1,QNVGFRVFRDPGGU-UHFFFAOYSA-N
-rxn:4:176126:224426,O=C(Oc1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1,UUQOJLJUYQPSLP-UHFFFAOYSA-N
-rxn:4:176128:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2)c1,BAOWDGLIRSUZHT-UHFFFAOYSA-N
-rxn:4:176254:223952,CCOc1ccc2c(c1)OC(=Cc1cc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)ccc1OC)C2=O,NGHZKXDKLJAMCH-UHFFFAOYSA-N
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-rxn:4:176677:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(S(=O)(=O)CC(F)F)cc1,REHWUMDDYXRKIX-UHFFFAOYSA-N
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-rxn:4:177103:223559,COC(=O)C(C)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,RFUOGNQVUQMRNZ-UHFFFAOYSA-N
-rxn:4:177154:223507,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(CC(C)=O)c1,HQTWDZHRMXSPSH-UHFFFAOYSA-N
-rxn:4:177360:223823,Cc1cccc(OCC(C)(F)F)c1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,VMXKSHMWSDLUQC-UHFFFAOYSA-N
-rxn:4:177685:222522,COc1ccc(-c2cccc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)c2)cc1S(=O)(=O)N1CCC(O)CC1,SAGDIZXMUXWFQH-UHFFFAOYSA-N
-rxn:4:177794:224646,CC(C)(C)OC(=O)c1c(F)c(F)c(-c2ccc(OC3CCOCC3)c(C#N)c2)c(F)c1F,PPQSQDOYXYKDKN-UHFFFAOYSA-N
-rxn:4:177977:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C)OC4(C)C(=O)OC)cc3)cc2)CC1,NOEZUTQXEZDLTQ-CLWQIQQCSA-N
-rxn:4:178172:223712,COc1ccc(-c2c(C)cc(OCC3OCCO3)cc2C)cc1C12CC3CC(CC(C3)C1)C2,XNXBDEJCPMXIPJ-UHFFFAOYSA-N
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-rxn:4:178384:226098,CCCCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C,XCOBQUDXQFRTPZ-UHFFFAOYSA-N
-rxn:4:178384:226206,COc1cc2c(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cccc2cn1,LNBNZNPHOSCJNA-UHFFFAOYSA-N
-rxn:4:178384:226354,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c(C2CC2)c1,VWVUZJTYRVOQRN-UHFFFAOYSA-N
-rxn:4:178384:227077,CCC(C)c1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,HEEAKDRVLPPPSN-UHFFFAOYSA-N
-rxn:4:178384:228172,CCOc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,FLHLTLVMJBGNQT-UHFFFAOYSA-N
-rxn:4:178384:228300,CCOC(=O)c1ccsc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ROBVAWOQIZECJA-UHFFFAOYSA-N
-rxn:4:178384:228325,COc1cc(OC)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cn1,QGAKUUUSARSZOT-UHFFFAOYSA-N
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-rxn:4:178553:223579,COc1ccc2c(=O)c(-c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)cc3)c(C(F)(F)F)oc2c1,HFHLBGCCKLZXHX-UHFFFAOYSA-N
-rxn:4:178594:223184,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cnc(N2CCNCC2)nc1,VCTPETONBNPPOK-UHFFFAOYSA-N
-rxn:4:178597:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1F,CSQFBFIJFHLUNY-UHFFFAOYSA-N
-rxn:4:178597:228586,CC(C)c1ncccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,SPVOBEQIMUJSFE-UHFFFAOYSA-N
-rxn:4:178598:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C4OC5CCCCC5c5cc(OC)c(OC)cc54)c3)cc2)CC1,QEJOHRBUODPHLO-BYGFSSIESA-N
-rxn:4:178949:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(F)(F)C(F)(F)F)cc2Cl)CC1,GUUQMLNJSJVVTH-UHFFFAOYSA-N
-rxn:4:179813:223559,COC(=O)c1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc(C)c1C,YWPFFKIZSLPOTC-UHFFFAOYSA-N
-rxn:4:180379:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(C(=O)C4CCCCC4)c3)c2)CC1,LDORJHHQGOYDHA-UHFFFAOYSA-N
-rxn:4:180651:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc2c1CCC2=O,SYMVMUNZHYTUIP-UHFFFAOYSA-N
-rxn:4:180815:224672,CCN1CCN(c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c(Cl)c2)CC1,JTBUTRJOLPBDSE-UHFFFAOYSA-N
-rxn:4:182091:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)cc21,LZERSRDELFJLNI-UHFFFAOYSA-N
-rxn:4:182184:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc2c(c(C(F)(F)F)c1)OCCO2,RHVBVMXFJWFPRU-UHFFFAOYSA-N
-rxn:4:182354:223755,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c2c1OC1(CCCC1)C2,WLHQJCGNUJLGIW-UHFFFAOYSA-N
-rxn:4:182376:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c(C)c1,NVFFOTHJEJTZGE-FJBABUGYSA-N
-rxn:4:183173:223608,CC1CC(=O)c2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)ccc2C1,VDUNABOUEGTFBI-UHFFFAOYSA-N
-rxn:4:183236:224407,O=C1CC2(CS(=O)(=O)C2)Oc2cc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)ccc21,XPMLXBNMAHBLNT-UHFFFAOYSA-N
-rxn:4:183238:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)C(=O)CC(C)CC2,XCFOJAFMBSGKJO-UHFFFAOYSA-N
-rxn:4:183272:222740,CC(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc(C2CCCNC2)n1,KWBRGXIGADFCFP-UHFFFAOYSA-N
-rxn:4:183273:228177,COCc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,RLFAVVIGRMZLAZ-UHFFFAOYSA-N
-rxn:4:183274:227698,COc1ncc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1OC,SRSLTXMMKHPMCZ-UHFFFAOYSA-N
-rxn:4:183379:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cc1,DWILCHUBAIBESM-MRXNPFEDSA-N
-rxn:4:183526:223603,CCOC(=O)Cc1cc(C(F)(F)F)cc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)c1C#N,CLLMVQZHBBPYTL-UHFFFAOYSA-N
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-rxn:4:183744:222639,CCN(CC)C(=O)c1c(OC)cc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1OC,ONYPJKALTHDNSG-KRWDZBQOSA-N
-rxn:4:183863:225408,COC(=O)CN1CCCC(COc2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)C1,BIKWYRVSROSORK-UHFFFAOYSA-N
-rxn:4:183864:222842,COC(=O)CN1CCCC(COc2cccc(-c3cccc(C(=O)NC4CCCC4)c3)c2)C1,HGMOTLZAEVJXID-UHFFFAOYSA-N
-rxn:4:183884:225882,CC(C)(C)OC(=O)N1CC(COc2c(F)cccc2-c2cnc(Cl)c(C3CCOCC3)c2)C1,XFEHDDRWYRDOPB-UHFFFAOYSA-N
-rxn:4:183897:224950,CCN(Cc1cc(-c2ccc(OC)cc2CN2CCCC2)ccc1C)C(=O)OC(C)(C)C,RJJFFJZZSHNNPU-UHFFFAOYSA-N
-rxn:4:183923:222389,O=C(COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,KJTLAAUQQDQHCT-UHFFFAOYSA-N
-rxn:4:183930:223093,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,LXSBHQUSAXYNAB-UHFFFAOYSA-N
-rxn:4:183942:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,UWDPHCSQORRBDZ-UHFFFAOYSA-N
-rxn:4:183968:222579,Cc1ccccc1NC(=O)c1cc(-c2cc(F)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1Cl,RMPMDMISFPPVJO-UHFFFAOYSA-N
-rxn:4:184033:223198,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3cccc(CNC4CC4)c3)cc2)C1,AQBDUYAMGZCVKI-UHFFFAOYSA-N
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-rxn:4:187353:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1coc([Si](C(C)C)(C(C)C)C(C)C)n1,ASKMANJRLOQETJ-UHFFFAOYSA-N
-rxn:4:187379:224349,CC1CCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)CC1,YWEBWKXCTAMHLM-UHFFFAOYSA-N
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-rxn:4:187608:224197,CCN1CCN(Cc2ccc(-c3ccc(C(=O)c4cccc(CN5CCCCC5)c4)c(F)c3)cc2F)CC1,MKFGHCOHVPLDOX-UHFFFAOYSA-N
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-rxn:4:187810:224593,COC(=O)c1cc(-c2ccc(F)c(CN3CCC(C)CC3)c2)cc2c1CCN2CC1CC1,SFESQOWDVFKUKC-UHFFFAOYSA-N
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-rxn:4:187985:226062,CC(C)c1cc(-c2ccc(C34CCOCC3N(C(=O)OC(C)(C)C)CC4)cc2)cc(C(C)C)c1,WQYDNRCGKAXCGW-UHFFFAOYSA-N
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-rxn:4:200845:227223,CCN(CC)c1cc(-c2cc(C3CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccn1,WEXYECIMVQEPFH-UHFFFAOYSA-N
-rxn:4:200853:225125,COC(=O)C1CCN(Cc2ccc(-c3cc(F)ccc3OCC3CCOC3)cc2N2CCOCC2)CC1,YCEDYCLLLAWNIS-UHFFFAOYSA-N
-rxn:4:200854:225671,COC(=O)C1CCCN(Cc2ccc(-c3cc(C4CCCCC4)ncc3F)cc2N2CCOCC2)C1,WWCXTNCNTRSUGF-UHFFFAOYSA-N
-rxn:4:200856:223093,Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1cncc(NS(=O)(=O)C(C)C)c1,HEMXWDAEUBSQFQ-IBGZPJMESA-N
-rxn:4:200860:223055,CCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(N2CCNCC2)nc1C,RRDYFXNGIIDIOL-UHFFFAOYSA-N
-rxn:4:200860:225757,CCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(C(=O)OC)nc(C(C)C)c1,HKEFNYHZXHWCCQ-UHFFFAOYSA-N
-rxn:4:200868:225359,COc1cc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)C(C)C2)c(C(F)(F)F)cc1OC,FTYVXFCQEIFSIP-UHFFFAOYSA-N
-rxn:4:200875:223278,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1-c1cnn(C2CCNCC2)c1,BFZCVPSNEICLJS-UHFFFAOYSA-N
-rxn:4:200884:223270,CC(=O)Nc1cc(F)ccc1-c1ccc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1,HAKAYCHLCRUZFV-UHFFFAOYSA-N
-rxn:4:200885:226122,COCc1ccc(C2CC2)c(-c2ccc(CN3CCC(C(=O)OC)CC3)c(N3CCCCC3)c2)c1,JBTBOMKLRWEYHP-UHFFFAOYSA-N
-rxn:4:200890:225276,CCCOc1cc(-c2ccc(OCC)c(S(=O)(=O)N3CCN(c4ccc(C)c(C)c4)CC3)c2)ccc1C(F)(F)F,FTZRZCIXAZCNAS-UHFFFAOYSA-N
-rxn:4:200891:226447,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C4CCOCC4)c3)cc2C)CC1,CGGJZEDFMHLBAR-UHFFFAOYSA-N
-rxn:4:200893:225828,CCOc1ccc(-c2cnc(N3CCCCCC3)nc2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,IBPGOCZLFGGNFE-UHFFFAOYSA-N
-rxn:4:200976:224008,CCCCSc1nc2c(c(=O)n1-c1ccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)cc1)SCC2,NTRDISBVTOZDJI-UHFFFAOYSA-N
-rxn:4:201063:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(CSc5nc6c(c(=O)n5-c5cccc(OC)c5)SCC6)cc4)c3C(=O)C1C2(C)C,YPPUMPVSTXXCIA-UHFFFAOYSA-N
-rxn:4:201071:226823,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(-c2cnc(-c3cncs3)cc2F)ccc1OC,CFZCDTQVWAXZSJ-UHFFFAOYSA-N
-rxn:4:201072:226792,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(N5CCOCC5)nc4)ccc3OC)N2C1=O,UOMSYVKSFQIGHV-UHFFFAOYSA-N
-rxn:4:201091:225201,COc1cc(-c2ccc(OC3CCCC3)c(F)c2F)cc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,CSTDJCDNGWEJGX-UHFFFAOYSA-N
-rxn:4:201097:223040,CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccc(-c4ccc(C(=O)NC5CC5)c(F)c4)cc3C2)C1,GPDSBUCDTXJVOW-UHFFFAOYSA-N
-rxn:4:201112:223574,COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3cc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc31)CC2,FVFXQXSJKHOOFF-UHFFFAOYSA-N
-rxn:4:201124:226152,COc1cc(C2CC2)cc(-c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C,UCENVRHWAQTWDR-UHFFFAOYSA-N
-rxn:4:201133:227798,CC(C)(C)OC(=O)N1CCC(CN2Cc3cc(-c4ccc(Cl)c([N+](=O)[O-])c4F)ccc3C2=O)CC1,VGKIOLGZZWTEIS-UHFFFAOYSA-N
-rxn:4:201150:226606,CC(C)Oc1c(F)cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1Cl,CKSLRDGPGGHFHW-UHFFFAOYSA-N
-rxn:4:201183:222396,O=C(NC1CCC(O)CC1)c1ccc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)cc2)cc1,BYMAOJHXNDHWTL-UHFFFAOYSA-N
-rxn:4:201333:223813,COC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)nn1CC1CC1,SGZPDJJRCQQWMK-UHFFFAOYSA-N
-rxn:4:201621:224679,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)cc1,IOIIVRQEQZRRGI-UHFFFAOYSA-N
-rxn:4:201622:224089,CC1CCN(CCOc2ccc(-c3ccc(CSC4=NCCN4S(C)(=O)=O)cc3)cc2)CC1,OMFLPCYZISAGJV-UHFFFAOYSA-N
-rxn:4:201622:224496,CCN1CCN(Cc2cccc(-c3ccc(CSC4=NCCN4S(C)(=O)=O)cc3)c2)CC1,ZJDMTCHVZNLOIE-UHFFFAOYSA-N
-rxn:4:201632:222792,CCOC(=O)C1(C)CC(c2ccc(-c3cc(NC(=O)OC(C)(C)C)ccc3F)cn2)=NO1,GEUORMLYIRMXEX-UHFFFAOYSA-N
-rxn:4:201640:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CC(Oc2nccs2)C1,UHXVWKOTAAIPHK-UHFFFAOYSA-N
-rxn:4:201689:224552,COC(=O)CC1CN(c2ccc(-c3cc(F)cc(COC4CCCCC4)c3)cn2)CCO1,QVOBOLROCHICKV-UHFFFAOYSA-N
-rxn:4:201861:222577,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1[N+](=O)[O-],WYDGLZOQVZOUDD-UHFFFAOYSA-N
-rxn:4:201906:223117,CCCNC(=O)c1ccc(-c2ccc(OC)cc2C(=O)N2CC(N3C(=O)CCC3=O)C2)cc1,WNOHXUVOQOMLIZ-UHFFFAOYSA-N
-rxn:4:201915:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCSC3c3cccc([N+](=O)[O-])c3)cc2)cc(C2CCCNC2)n1,KYPNRRBKPNDPNH-UHFFFAOYSA-N
-rxn:4:201977:224405,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,STEHJXLVJSNTBV-UHFFFAOYSA-N
-rxn:4:201979:228305,COc1ccc(-c2cnc(OC(C)C)cn2)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,JCJMITUXTFABQQ-UHFFFAOYSA-N
-rxn:4:201979:228680,CCCn1nc(C)cc1-c1ccc(OC)cc1C(=O)N1CCC(N2C(=O)COC2=O)C1,QFIBXTHOFJNSOX-UHFFFAOYSA-N
-rxn:4:201992:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)c2ccccc12,CSXHQMJWTXIXCF-UHFFFAOYSA-N
-rxn:4:201996:225898,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cnn(CCN4CCOCC4)c3)c2)C1,BRAJJJHPOUSVNE-UHFFFAOYSA-N
-rxn:4:201998:225980,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc(N3CCOCC3)ncc2F)ccn1,FTHBROMLEVXBBS-UHFFFAOYSA-N
-rxn:4:202007:225227,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,LXVTXCDVJXRVHO-UHFFFAOYSA-N
-rxn:4:202008:225872,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)c(F)c(N2CCCC2)c1,PSECXZQSFNMDTG-UHFFFAOYSA-N
-rxn:4:202010:224664,CN1CCN(Cc2cc(F)cc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)CC1,GQLGQYXUVKZDRU-UHFFFAOYSA-N
-rxn:4:202012:225638,CC1CCN(c2ccc(-c3ccc(CN4CCN(S(=O)(=O)C5CC5)CC4)cc3)cn2)CC1,GAHLBOQBJMJGBM-UHFFFAOYSA-N
-rxn:4:202015:225061,CC1CCN(c2ccc(-c3cnc(N4CCOCC4)c(C(=O)OC(C)(C)C)c3)c(F)c2)CC1,ZSEDDABTNVTLRL-UHFFFAOYSA-N
-rxn:4:202027:223568,CCC(=O)N1N=C(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)CC1c1ccccc1,MSXBKNYLXTWZDH-UHFFFAOYSA-N
-rxn:4:202124:224732,COc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1-c1ccc(S(=O)(=O)OCC(C)(C)C)cc1,HAWHYXPQXCMMGW-UHFFFAOYSA-N
-rxn:4:202128:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cncc(N3CCC(C(=O)OC(C)(C)C)CC3)c2Cl)cc1,JCVUXHBQXBQSJN-UHFFFAOYSA-N
-rxn:4:202135:222874,COc1c(Cl)cc(C(=O)N2CCN(C(C)C)CC2)cc1-c1ccc(Cl)c(C(=O)NC(C)(C)C)c1,GRRVALGEAVUIKE-UHFFFAOYSA-N
-rxn:4:202154:224018,COc1cc(C)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,YXIRIZMCMYQAFO-UHFFFAOYSA-N
-rxn:4:202167:223685,O=S(=O)(C1CC1)N1CCCN(Cc2ccc(-c3ccc(OC(F)(F)F)c(OCc4cccnc4)c3)cc2)CC1,AKUFDVBVUZWWJU-UHFFFAOYSA-N
-rxn:4:202167:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(CN4CCCN(S(=O)(=O)C5CC5)CC4)cc3)cnc2C1,QCEMIHDTURTMHX-UHFFFAOYSA-N
-rxn:4:202202:225804,O=C(c1ccc(-c2ccccc2CN2CCOC(C(=O)N3CCOCC3)C2)cc1F)N1CCC1,LZUASQJPLWAEGB-UHFFFAOYSA-N
-rxn:4:202223:224193,CCN1CCN(Cc2cc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)ccc2F)CC1,DWLZUPVGEAZCQR-UHFFFAOYSA-N
-rxn:4:202268:226332,O=C(c1ccccc1-c1ccccc1CN1CCOC(C(=O)N2CCCCC2)C1)N1CCC1,UMBOHQPOWGWZKR-UHFFFAOYSA-N
-rxn:4:202270:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cccc(CN3CCCC(C(=O)N4CCOCC4)C3)c2)cc1C,CFBZFIZPRZQJIF-UHFFFAOYSA-N
-rxn:4:202284:222776,COc1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1CN1CCC(N2CCCC2)CC1,WPLQFMNABOCDBX-UHFFFAOYSA-N
-rxn:4:202284:222995,COc1ccc(-c2cccc(N3CCCC(O)C3)c2)cc1CN1CCC(N2CCCC2)CC1,FVBCNCOKQDOROQ-UHFFFAOYSA-N
-rxn:4:202284:224591,COc1ccc(-c2ccc(Cl)c(CN3CCC(C)CC3)c2)cc1CN1CCC(N2CCCC2)CC1,AOFGSBUFRXBYLZ-UHFFFAOYSA-N
-rxn:4:202284:225183,COc1ccc(-c2ccc(OC3CCCCC3)nc2F)cc1CN1CCC(N2CCCC2)CC1,NUOAFXXVZNRRCO-UHFFFAOYSA-N
-rxn:4:202284:225674,COc1ccc(-c2cnc(C3CCCCC3)cc2F)cc1CN1CCC(N2CCCC2)CC1,BNBKTUAWZXNSBC-UHFFFAOYSA-N
-rxn:4:202284:225870,COc1ccc(-c2cc(F)cc(N3CCOCC3)c2)cc1CN1CCC(N2CCCC2)CC1,PAACETATBRPJJE-UHFFFAOYSA-N
-rxn:4:202284:227386,COc1ccc(-c2cnn(C3CCCCC3)c2)cc1CN1CCC(N2CCCC2)CC1,WPSAOOLCJVMIKA-UHFFFAOYSA-N
-rxn:4:202285:226713,COCCOc1cc(-c2ccc(CN3CCC(OC)CC3)c(N3CCCC3)c2)c(F)cn1,NOVYKITUDATYSZ-UHFFFAOYSA-N
-rxn:4:202300:225232,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)cc1-c1cnc(Cl)c(N2CCC(C)CC2)c1,NFXYGAJIHBILMW-UHFFFAOYSA-N
-rxn:4:202307:227091,CCN1CCN(S(=O)(=O)c2cc(C)c(-c3cncc(C4CCCC4)c3)cc2C(C)C)CC1,TWAJIRAAVIZCCU-UHFFFAOYSA-N
-rxn:4:202310:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,QVFHDEUZIZKQNO-UHFFFAOYSA-N
-rxn:4:202353:222923,COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1-c1ccc(C)c(S(=O)(=O)NC2CC2)c1,IKMVAWIALHEDHI-UHFFFAOYSA-N
-rxn:4:202469:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3C#N)c1,QAPLWYOWCNRBAV-UHFFFAOYSA-N
-rxn:4:202602:228806,CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(-c4cc(Cl)cc(SC)c4)cc3)N2C1=O,JYHWQSMZLZHJNE-UHFFFAOYSA-N
-rxn:4:202620:222818,COC(=O)c1cc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)c(F)cc1NC(C)=O,FTZMBPDPEZSLQC-UHFFFAOYSA-N
-rxn:4:202648:224986,N#Cc1cc(N2CCCCC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1,SYGLSRVDMSZYFC-UHFFFAOYSA-N
-rxn:4:202658:224937,CCOC(=O)C1(c2ccc(-c3ccc4cncc(C5CCN(C(=O)OC(C)(C)C)C5)c4c3)cc2)CC1,KELFASDQXSHMFH-UHFFFAOYSA-N
-rxn:4:202682:224960,COc1ccc(-c2ccc(N3CC4CCC3CN4C(=O)OC(C)(C)C)cc2)cc1OC1CCCC1,VCYBVDUGYIWZHM-UHFFFAOYSA-N
-rxn:4:202796:223269,CC(=O)Nc1ccc(-c2cccc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2COC(C)=O)cc1F,OHGSKVGHJSAMSJ-UHFFFAOYSA-N
-rxn:4:202796:226537,CCOC(=O)c1ccc(-c2cccc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2COC(C)=O)cc1Cl,SBAQWKOAFSDZTK-UHFFFAOYSA-N
-rxn:4:202800:226632,CC#Cc1cc2c(c(F)c1-c1ccc(-n3ccnc3)nc1C)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,XARAMFWRVVZOKO-JOCHJYFZSA-N
-rxn:4:202800:226787,CC#Cc1cc2c(c(F)c1-c1cnc(-n3ccnc3)nc1C)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,SLATVNNPUBZSKU-OAQYLSRUSA-N
-rxn:4:202960:223845,COC(=O)c1nc(Cl)c([N+](=O)[O-])cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,HQAOOAJHCQZEBN-UHFFFAOYSA-N
-rxn:4:203443:223480,COC(=O)C(C)n1nc(C)c(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1C,GYBUAMJSLRNSLQ-UHFFFAOYSA-N
-rxn:4:203512:222602,CC(C)Cc1cc(-c2cnc(OCC3CCCCO3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,OQIPVXJYWDRVFL-UHFFFAOYSA-N
-rxn:4:203531:224405,CSC1=NCCN1S(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1,GSIVHSRYTZJDFU-UHFFFAOYSA-N
-rxn:4:203541:223659,Cc1nc(-c2ccc(F)cc2)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)n1CC(F)F,PLUNXQJGSHGZIM-UHFFFAOYSA-N
-rxn:4:203580:223951,COc1ncc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc1C(=O)N1CCCC1,MBLYHFDSFOMOKS-UHFFFAOYSA-N
-rxn:4:203651:224774,O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N2CCCC2)c(C(F)(F)F)c1,FNHYADHBFGDBAR-UHFFFAOYSA-N
-rxn:4:203651:225308,O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C(F)(F)F)cc(C2CC2)c1Cl,DIWFRELROVFIKN-UHFFFAOYSA-N
-rxn:4:203677:224773,CC1=C(C#N)CCC(=O)N1Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)cc1,DIKGDQNOPFNZOX-UHFFFAOYSA-N
-rxn:4:203689:224761,N#Cc1cc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c(N2CCCCC2)cc1C(F)(F)F,UWDQGTMRDKNHII-UHFFFAOYSA-N
-rxn:4:203689:224818,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(N2CCCCC2)cc1C(F)(F)F,WBUYYSMPYXPJCS-UHFFFAOYSA-N
-rxn:4:203690:224761,N#Cc1cc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1N1CCCC(C(F)(F)F)C1,YUYMFNBJEXMXST-UHFFFAOYSA-N
-rxn:4:203690:224770,Cc1cc(-c2ccc(N3CCCC(C(F)(F)F)C3)c(C#N)c2)cc(S(=O)(=O)N2CCCC2)c1,UNAWTIKPIQODAL-UHFFFAOYSA-N
-rxn:4:203691:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(N2CCC(C(F)(F)F)CC2)c1C#N,LMLMQDSAMSDHIE-UHFFFAOYSA-N
-rxn:4:203691:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(N2CCC(C(F)(F)F)CC2)c1C#N,URMGXRUYQYHSJC-UHFFFAOYSA-N
-rxn:4:203691:224754,N#Cc1c(-c2ccccc2S(=O)(=O)N2CCCCC2)cccc1N1CCC(C(F)(F)F)CC1,UYJRWMOBMGGWCX-UHFFFAOYSA-N
-rxn:4:203691:224760,N#Cc1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1N1CCC(C(F)(F)F)CC1,DZVISNUVBDGSHJ-UHFFFAOYSA-N
-rxn:4:203691:224771,Cc1ccc(-c2cccc(N3CCC(C(F)(F)F)CC3)c2C#N)cc1S(=O)(=O)N1CCCC1,IFBIELIYOFCOOE-UHFFFAOYSA-N
-rxn:4:203691:224773,Cc1cc(-c2cccc(N3CCC(C(F)(F)F)CC3)c2C#N)ccc1S(=O)(=O)N1CCCC1,DQQQQQBUQPQFCG-UHFFFAOYSA-N
-rxn:4:203691:224821,N#Cc1c(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cccc1N1CCC(C(F)(F)F)CC1,JUYGCVYFTCUNFP-UHFFFAOYSA-N
-rxn:4:203692:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,FENNMWPUNPZMFD-UHFFFAOYSA-N
-rxn:4:203692:224773,Cc1cc(-c2ccc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCCC1,JPMDQFYVVLYDNV-UHFFFAOYSA-N
-rxn:4:203692:224818,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)ccc1N1CCC(C(F)(F)F)CC1,SVHZWIPSFKGIFN-UHFFFAOYSA-N
-rxn:4:203693:224760,N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1N1CCCC(C(F)(F)F)C1,FJFCJCMMXSHZOD-UHFFFAOYSA-N
-rxn:4:203693:225297,N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1N1CCCC(C(F)(F)F)C1,YGSJVLKSPCRUNW-UHFFFAOYSA-N
-rxn:4:203694:225297,N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1N1CCC(C(F)(F)F)CC1,LKUAKLBCMRARSP-UHFFFAOYSA-N
-rxn:4:203712:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,YDCIXTBWLIIJQD-UHFFFAOYSA-N
-rxn:4:203712:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)CC1,NLLKKCXRHYCUNF-UHFFFAOYSA-N
-rxn:4:203712:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,DQKYJMSKCNOHQF-UHFFFAOYSA-N
-rxn:4:203712:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,KPXNMAOKEOJFFE-UHFFFAOYSA-N
-rxn:4:203712:224571,CC(C)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)cc2)CC1,NPUZHZDZENQCHB-UHFFFAOYSA-N
-rxn:4:203712:224575,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c(C#N)c2)CC1,NWDPABWWYHVLHK-UHFFFAOYSA-N
-rxn:4:203712:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,HVMVLTPEVIUKKJ-UHFFFAOYSA-N
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-rxn:4:203712:224737,CC(C)COc1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c(C(F)(F)F)c1,UWVQGXMRBMQSFH-UHFFFAOYSA-N
-rxn:4:203712:224756,O=C(c1ccc(F)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1)N1CCOCC1,PGLFEMFTYGPRSN-UHFFFAOYSA-N
-rxn:4:203712:224757,O=C(c1cc(Cl)cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c1)N1CCOCC1,GFKBATPINNUJFF-UHFFFAOYSA-N
-rxn:4:203712:224763,O=C(c1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1)N1CCOCC1,QIAQFSOICDGFNX-UHFFFAOYSA-N
-rxn:4:203712:224764,O=C(c1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c(F)c1)N1CCOCC1,HUCADDLLRRCFDV-UHFFFAOYSA-N
-rxn:4:203712:224773,Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1S(=O)(=O)N1CCCC1,KKTJZUMECMHSNM-UHFFFAOYSA-N
-rxn:4:203712:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,ACDRUZRYIXMZLW-UHFFFAOYSA-N
-rxn:4:203712:224800,CC(C)Oc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1OC(F)(F)F,VVLQEXXLDREZMS-UHFFFAOYSA-N
-rxn:4:203712:225059,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c(Cl)c2)CC1,JWFSPFPPYIACDJ-UHFFFAOYSA-N
-rxn:4:203712:225213,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c(Cl)c2)CC1,OFJUWWGNBDDTCH-UHFFFAOYSA-N
-rxn:4:203712:225215,CC1CCN(c2nccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c2Cl)CC1,BMSKLEPIGNOGCA-UHFFFAOYSA-N
-rxn:4:203712:225220,CC1CCCCN1c1ncc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1Cl,FNZNFJWPUIFRTK-UHFFFAOYSA-N
-rxn:4:203712:225228,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c(F)c2)CC1,BGFPEHYSTRIPLU-UHFFFAOYSA-N
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-rxn:4:203712:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,MMABOZBHWXDTPV-UHFFFAOYSA-N
-rxn:4:203712:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,KGMTVVONXNVILE-UHFFFAOYSA-N
-rxn:4:203712:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,PBHUFHBYYVHEIW-UHFFFAOYSA-N
-rxn:4:203712:225576,N#Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1N1CCCC1,RYZCDMKFTSRBLQ-UHFFFAOYSA-N
-rxn:4:203712:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,YCUSAKNWIQJCHG-UHFFFAOYSA-N
-rxn:4:203712:225634,Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cnc1N1CCCCC1,SQSOIZLWGVWFQV-UHFFFAOYSA-N
-rxn:4:203712:225655,CC1CCN(c2cncc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c2)CC1,QMKWNUXIQMHRMY-UHFFFAOYSA-N
-rxn:4:203712:225827,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)ccn2)CC1,BJNYNLISJJAPMY-UHFFFAOYSA-N
-rxn:4:203712:226172,Cc1ccc(N2CCCC2)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,JMCNUMIUJWDCIZ-UHFFFAOYSA-N
-rxn:4:203712:226175,Cc1cc(N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,BNLLUBCHDBDRHZ-UHFFFAOYSA-N
-rxn:4:203712:226331,N#CC1(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c(F)c2)CC1,HXODFQITMNKQQH-UHFFFAOYSA-N
-rxn:4:203712:226336,N#Cc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c(Cl)cc1C1CC1,MZJHDPPBTCPDHW-UHFFFAOYSA-N
-rxn:4:203712:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c1,TUZSQPYAORBCJK-UHFFFAOYSA-N
-rxn:4:203712:226427,CC1CCN(c2csc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)c2)CC1,XCNVWJBNPJBACG-UHFFFAOYSA-N
-rxn:4:203714:223712,COc1ccc(-c2cn(C)nc2OCC2CCCCC2)cc1C12CC3CC(CC(C3)C1)C2,PFMHMMPWPOWZSN-UHFFFAOYSA-N
-rxn:4:203718:224011,CCCc1nc(N2CCCCC2)sc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,RMBSUZVNVRIYFL-UHFFFAOYSA-N
-rxn:4:203724:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)NN3CCCCC3)cc2)CC1,HQFLTJGSPWLDAJ-UHFFFAOYSA-N
-rxn:4:203724:223971,CC1CCN(c2cc(-c3ccc(S(=O)(=O)NN4CCCCC4)cc3)cc(C(F)(F)F)c2)CC1,YLVICRUODZZKSQ-UHFFFAOYSA-N
-rxn:4:203724:223974,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)NN4CCCCC4)cc3)c(C(F)(F)F)c2)CC1,ZTEPRVPTXOJRPE-UHFFFAOYSA-N
-rxn:4:203731:225114,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(C(=O)N3CC(N4CCCC4)C3)o2)cs1,XLGUGNSBTWXUFO-UHFFFAOYSA-N
-rxn:4:203736:224485,COC(=O)c1nc(N2CCCCC2)ccc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,HGQCLNYRZSIUTJ-UHFFFAOYSA-N
-rxn:4:203739:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCN(CC(F)(F)F)CC2)cc1,RHHUJUKCPCPIAP-UHFFFAOYSA-N
-rxn:4:203739:224770,Cc1cc(-c2ccc(N3CCN(CC(F)(F)F)CC3)cc2)cc(S(=O)(=O)N2CCCC2)c1,LZTGQKWDRNBAOM-UHFFFAOYSA-N
-rxn:4:203742:224754,O=[N+]([O-])c1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)c(CN2CCC(F)(F)CC2)c1,VKVDTCZHZOYHKG-UHFFFAOYSA-N
-rxn:4:203757:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,QNBAOVHCRJJXPM-UHFFFAOYSA-N
-rxn:4:203758:222701,O=[N+]([O-])c1c(F)cc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)cc1N1CCC(C(F)(F)F)CC1,QNWBIIASQQWSPT-UHFFFAOYSA-N
-rxn:4:203800:223712,COc1ccc(-c2cccc(CC3CCN(C(C)=O)CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,IQSSLZYXNGMAIA-UHFFFAOYSA-N
-rxn:4:203808:223901,CC1CCN(CCOc2ccc(-c3ccc(C4CCCN4C(=O)N(C)C)cc3)cc2Cl)CC1,XCEWKPQLHKDTGK-UHFFFAOYSA-N
-rxn:4:203835:222514,COc1ccc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccco4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,CQUHUGRTJFZQKX-UHFFFAOYSA-N
-rxn:4:203861:223520,CC(c1ccc(-c2ccc(CCN3CCN(C)CC3)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JSICSYHMBQPAFD-UHFFFAOYSA-N
-rxn:4:203880:222583,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)n2)C1,IDRNIQHSYYRNJR-UHFFFAOYSA-N
-rxn:4:203880:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(CC2CCCN(S(C)(=O)=O)C2)n1,UXZXQQXVOLGQBY-UHFFFAOYSA-N
-rxn:4:203887:224407,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)cc2)CC1,FMQNBZXGCVGYBX-UHFFFAOYSA-N
-rxn:4:203889:224420,COC(=O)c1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1N1CCN(C)CC1,QMYAMGNENKQLSY-UHFFFAOYSA-N
-rxn:4:203903:225208,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC(C)C4)nc3C)cc2F)CC1,MGDSSSSOARHMIV-UHFFFAOYSA-N
-rxn:4:203909:225655,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(N3CCC(C)CC3)c2)CC1,OQKIPWGDFXBGFI-UHFFFAOYSA-N
-rxn:4:203925:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccc(N3CCN(CC4CC4)CC3)c2)CC1,SRPUMOKMFYPNDT-UHFFFAOYSA-N
-rxn:4:203935:223582,COC(=O)c1ccc2cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3OC)n(C(=O)OC(C)(C)C)c2c1,HIHTWGGPPHIVOV-UHFFFAOYSA-N
-rxn:4:203937:225284,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cnc1C(F)(F)F,RZZJSIGSQIEUIB-UHFFFAOYSA-N
-rxn:4:203972:225665,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3N3CCCCC3)c(C)c2)CC1,UDFRRXPNUDHOAP-UHFFFAOYSA-N
-rxn:4:203985:226557,CCOc1c(OC)ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1F,FUASDRJHFBYPRO-UHFFFAOYSA-N
-rxn:4:204011:225943,CN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCOCC4)s3)cc2)CC1,TVWSPWQPQRHFTL-UHFFFAOYSA-N
-rxn:4:204014:224997,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCCCC4)cc3)c2)CC1,KCUUCPGIPYDXDE-UHFFFAOYSA-N
-rxn:4:204015:225161,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(F)c(C(=O)N4CCCC4)c3)ccc2C)CC1,HOAONEIVTNXXSG-UHFFFAOYSA-N
-rxn:4:204018:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CN2CCN(S(C)(=O)=O)C(C)C2)cc1,SYEQNGXAQAPICV-UHFFFAOYSA-N
-rxn:4:204018:225112,CCOc1cc(-c2ccc(CN3CCN(S(C)(=O)=O)C(C)C3)cc2)cc(Cl)c1OC(C)C,DGWQOHQGJOJZLM-UHFFFAOYSA-N
-rxn:4:204025:222432,CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc2S(C)(=O)=O)CC1,PGFFKXPHYBHSPY-UHFFFAOYSA-N
-rxn:4:204025:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(CN2CCN(C)CC2)c(S(C)(=O)=O)c1,WXYOIZKPZSZVMK-UHFFFAOYSA-N
-rxn:4:204026:222742,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2cc(C3CCNCC3)nc(C3CC3)c2)CC1,PYCVCTSSSSGZFQ-UHFFFAOYSA-N
-rxn:4:204026:224280,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1,KRZVEEWEMUFRCG-UHFFFAOYSA-N
-rxn:4:204026:225059,CC1CCN(c2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)c(Cl)c2)CC1,FYTXUMUAIDSAJD-UHFFFAOYSA-N
-rxn:4:204026:225061,CC1CCN(c2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)c(F)c2)CC1,UWQVQQYIAPWPAC-UHFFFAOYSA-N
-rxn:4:204059:222698,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1Cl)N1CCC(O)CC1,POLCCVGESZDTHE-UHFFFAOYSA-N
-rxn:4:204074:226395,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cncc(N3CCCCC3)c2)CC1,MKFKUZFEUBIMDG-UHFFFAOYSA-N
-rxn:4:204088:225223,CC1CCN(c2cc(F)c(-c3ccccc3-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)cn2)CC1,HBTBUFMTQGLQCZ-UHFFFAOYSA-N
-rxn:4:204101:223069,CCCS(=O)(=O)Nc1cccc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)c1,ONXUBHWIELBXCW-UHFFFAOYSA-N
-rxn:4:204103:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1,QGJZOUJTDWIQEM-UHFFFAOYSA-N
-rxn:4:204111:224351,O=C1C(=Cc2ccc(-c3ccc(-c4ccc(C5CCCCO5)c(C(F)(F)F)c4)cc3)o2)SC(=S)N1N1CCOCC1,VLYKZWIVUHHPIW-UHFFFAOYSA-N
-rxn:4:204114:227499,CCN(C)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cnc1Cl,FNENVZMDZHAUON-UHFFFAOYSA-N
-rxn:4:204132:224656,COc1ccc(-c2ccc(CN3CCCCC3)c(N3CCOCC3)c2)c(F)c1OC1CCCC1,HHUVQBCVUPRUKR-UHFFFAOYSA-N
-rxn:4:204136:225089,CCCCCOc1ccc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)c(F)c1F,FWXQSVLPWYWVQU-UHFFFAOYSA-N
-rxn:4:204152:223183,CNS(=O)(=O)c1ccc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)c(C)c1,KWZAZAKUINKVOZ-UHFFFAOYSA-N
-rxn:4:204175:223084,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2)=NC12CCCCCC2,INBNDARAGOPGCR-UHFFFAOYSA-N
-rxn:4:204180:223058,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(F)nc(C5CCCNC5)c4)c(C)cc3C)CC2)c(C)c1,QPMAQKGYYUXIQX-UHFFFAOYSA-N
-rxn:4:204181:224953,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(OCC5CCCCC5)nc4)cc3C)CC2)c(C)c1,NAQIRTGJDDCGMQ-UHFFFAOYSA-N
-rxn:4:204184:225867,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cnc(Cl)c(N2CCCCC2)c1,FJVREWXVCTVOOA-UHFFFAOYSA-N
-rxn:4:204466:222724,CN(C)CCN1C(=O)C(=O)c2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)ccc21,WHRVWMVTHMOCEM-UHFFFAOYSA-N
-rxn:4:204596:222647,Cc1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)c(C)cc1NC(=O)OC(C)(C)C,MDCBYPSEVMYWMU-UHFFFAOYSA-N
-rxn:4:204602:224120,Cc1cc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)ccc1CO[Si](C)(C)C(C)(C)C,UWTJLDJAJVBTII-UHFFFAOYSA-N
-rxn:4:204653:225550,CCCCC(=O)c1ccc(-c2ccc3c(c2)C(=C2SC(=S)N(CCOC)C2=O)C(=O)N3C)cc1F,NZMPIBMBXBODSV-UHFFFAOYSA-N
-rxn:4:204658:223889,CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)ccc21,ARPDRRMMFXGRFE-UHFFFAOYSA-N
-rxn:4:204683:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,ROSPGZFWGDGKKO-UHFFFAOYSA-N
-rxn:4:204694:225638,CC1CCN(c2ccc(-c3ccc(N4C(=NC(=O)C5CC5)SC5CS(=O)(=O)CC54)cc3)cn2)CC1,XYCCBTSQMCNPRK-UHFFFAOYSA-N
-rxn:4:204697:228872,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2ccsc2C(=O)OC)cc1,KCDGQVCLVAVCCF-UHFFFAOYSA-N
-rxn:4:204722:223051,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cc(C(=O)NC3CC3)ccc2Cl)c1,CEMZMMPKVLDNGU-UHFFFAOYSA-N
-rxn:4:204739:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)C(=C1SC(=S)N(C(C)CC)C1=O)C(=O)N2CC,HBOVLBNVAXDOLJ-UHFFFAOYSA-N
-rxn:4:204764:222503,O=C(NCc1ccc(F)cc1)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)c1,WBSDXYJIKOTVDY-UHFFFAOYSA-N
-rxn:4:204772:225285,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cnc(CC(C)C)c(C(F)(F)F)c3)ccc21,OUGQBSUVBQBFMS-UHFFFAOYSA-N
-rxn:4:204782:224318,COc1cccc(N2C(=S)N(c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)cc3)C3CS(=O)(=O)CC32)c1,HLQCZUQNACGOQS-UHFFFAOYSA-N
-rxn:4:204785:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C(=C3SC(=S)N(CC5CCCO5)C3=O)C(=O)N4CC)cc2)CC1,FIYCZYJHTFZEFW-UHFFFAOYSA-N
-rxn:4:204785:224627,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)ccc21,USHAOQVXKLYTIU-UHFFFAOYSA-N
-rxn:4:204787:225665,O=C(C1=CN(c2ccc(-c3ccc(Cl)cc3N3CCCCC3)cc2)c2ccccc2S1(=O)=O)N1CCCC1,BJAMVNVPLZLJPK-UHFFFAOYSA-N
-rxn:4:204834:226655,O=C(C1=CN(c2cccc(-c3cc(Cl)cnc3N3CCCC3)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,QUSPSMCGAULVQI-UHFFFAOYSA-N
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-rxn:4:205004:223504,COC(=O)c1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c[nH]1,SQSNQWHGYSHDOO-UHFFFAOYSA-N
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-rxn:4:206326:223597,COc1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)n1C1CCCC1,AWYOPKPRMSARSO-UHFFFAOYSA-N
-rxn:4:206342:223809,O=C(c1cccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)N1CCSCC1,RCGNJHXSZKPSGN-UHFFFAOYSA-N
-rxn:4:206387:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cncc(C(=O)N3CCOCC3)c2)CC1,XFRPTDALGANNBZ-UHFFFAOYSA-N
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-rxn:4:206474:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cn(C(C)C)c(C(C)C)n3)cc21,XZBKPVYLSGZKCU-UHFFFAOYSA-N
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-rxn:4:206502:223712,COc1ccc(-c2cnc(F)c(CN3CCOCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,OLKFGKRLLXCJNW-UHFFFAOYSA-N
-rxn:4:206516:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1S(=O)(=O)NC1CCCCC1,FLOFIKDHBJPBEY-UHFFFAOYSA-N
-rxn:4:206587:223712,COc1ccc(-c2cncc(C(=O)N3CCCCC3)c2)cc1C12CC3CC(CC(C3)C1)C2,XEVFWXIFDCJXOF-UHFFFAOYSA-N
-rxn:4:206592:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CCCCC3)nc2)CC1,YHFRYQULRZBLCZ-UHFFFAOYSA-N
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-rxn:4:206642:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C#N)c3N3CCC(F)(F)CC3)cc2)CC1,HEBGRJCSRGXDOB-UHFFFAOYSA-N
-rxn:4:206651:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(C(=O)N3CCC(F)(F)CC3)c(Cl)c2)cc1,YIOMMOULDWDFLQ-UHFFFAOYSA-N
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-rxn:4:206708:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cncc(S(=O)(=O)N3CCCCC3)c2)CC1,XUFWDUYHCRVALR-UHFFFAOYSA-N
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-rxn:4:206712:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1C(=O)N1CCOCC1,BWQSORZZYLFBEZ-UHFFFAOYSA-N
-rxn:4:206716:223945,Cc1nc(C(=O)N2CCOCC2)ccc1-c1ccc(OCCCN2CCOCC2)c(F)c1,XSVIKCOWHIUHSC-UHFFFAOYSA-N
-rxn:4:206759:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(Cl)c3)cc2)CC1,GTQRRFHGSRNUIP-UHFFFAOYSA-N
-rxn:4:206780:223606,O=S(=O)(c1ccc(-c2nc(C3CCCC3)cc(C3CC3)n2)cc1F)N1CCC2(CC1)OCCO2,MXBUEYHOIYKDQO-UHFFFAOYSA-N
-rxn:4:206783:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(OC4CCN(C)CC4)nc3)c2)CC1,SSCCVZABDYJQCC-UHFFFAOYSA-N
-rxn:4:206807:225054,CC1CCCCN1c1ccc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)c(Cl)c1,QGHHFFGCFMIARQ-UHFFFAOYSA-N
-rxn:4:206821:222514,COc1ccc(-c2ccc(N3C(=O)C(=Cc4ccncc4)SC3=S)cc2)cc1S(=O)(=O)NC1CCCCC1,ZILBSYOITNQKIX-UHFFFAOYSA-N
-rxn:4:206910:223842,CCN1CCN(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)c2)CC1,SXOZTQJZLWRSHX-UHFFFAOYSA-N
-rxn:4:206943:224155,Cc1nc(C2CCN(S(C)(=O)=O)CC2)sc1-c1cc(C2CC2)cc(N2CCN(C)CC2)c1,VESFEINCWCVGPN-UHFFFAOYSA-N
-rxn:4:206955:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1,ZSRMOHCMANHQLI-UHFFFAOYSA-N
-rxn:4:206956:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1,SOWWMBUZEJCUOK-UHFFFAOYSA-N
-rxn:4:206957:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCC(C)CC2)c1,XZNNRXZHMKBDDG-UHFFFAOYSA-N
-rxn:4:206958:222466,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,MHCPFXLYOXVSHF-UHFFFAOYSA-N
-rxn:4:206959:223997,Cc1cc(-c2cccc(N3CCN(S(C)(=O)=O)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,XJVYAOPXSXNKDG-UHFFFAOYSA-N
-rxn:4:206978:224760,CC1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1,PMCUGBUMVCYYTJ-UHFFFAOYSA-N
-rxn:4:206978:224771,Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCC(C)CC2)cc1S(=O)(=O)N1CCCC1,KRMXNXRLXYRKTG-UHFFFAOYSA-N
-rxn:4:206978:224819,CC1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,KMTJUWWSFGBQPG-UHFFFAOYSA-N
-rxn:4:206981:224754,Cc1cc(-c2ccccc2S(=O)(=O)N2CCCCC2)cnc1N1CCC(C(F)(F)F)CC1,HYPZEUUFANZMRG-UHFFFAOYSA-N
-rxn:4:207007:222681,CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)cc2)c1F,ULOXCFOQAWFNQM-UHFFFAOYSA-N
-rxn:4:207026:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(C(=O)N4CCC5(CC4)OCCO5)c3)c2)CC1,IWYIXSUKNWQRGB-UHFFFAOYSA-N
-rxn:4:207029:224128,Cc1nc(C2CCN(C(C)C)CC2)sc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1,ZTMSDYYAFVYTQS-UHFFFAOYSA-N
-rxn:4:207052:224011,CCN1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)c2C)CC1,JPJGDLBBQHYHMT-UHFFFAOYSA-N
-rxn:4:207077:222828,O=C(c1cncc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c1)N1CCC(=C2CCC2)CC1,DECQPSICUDCRFJ-UHFFFAOYSA-N
-rxn:4:207081:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)c(F)c2)CC1,QUFPDGQDSHYCBI-YHBQERECSA-N
-rxn:4:207081:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)c(Cl)c2)CC1,MFLJXQLFTRSQJD-UHFFFAOYSA-N
-rxn:4:207081:225977,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cc(Cl)cnc3N3CCOCC3)c1)C2,NTVXLMLUGZLHPG-UHFFFAOYSA-N
-rxn:4:207358:223482,COC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2cn(C)nc2c1,QOWDGGZMMOTHCP-UHFFFAOYSA-N
-rxn:4:207421:223527,CN(C)C(=O)n1ccc2cc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc21,NZQLSDOQJSHMMO-UHFFFAOYSA-N
-rxn:4:207482:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(CC3SC4=NCCN4C3=O)cc2)CC1,JWKWUYYAGARBJS-UHFFFAOYSA-N
-rxn:4:207635:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)c(F)cn2)CC1,UJMGXIFDHFCQGT-UHFFFAOYSA-N
-rxn:4:207669:222675,COc1cc(-c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)ccc1NC(=O)OC(C)(C)C,YRHAEYZMLFVNJL-UHFFFAOYSA-N
-rxn:4:207689:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)sc(=NC(=O)C3=COCCO3)n4C)cc2F)CC1,OZTCNCUFSDMHAC-UHFFFAOYSA-N
-rxn:4:207689:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)sc(=NC(=O)C3=COCCO3)n4C)c2)CC1,PJCLJUYGWQTLSP-UHFFFAOYSA-N
-rxn:4:207747:225573,COC(=O)c1cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)cc2)cc(C2CC2)c1,FRMBOAPCBFIXRB-UHFFFAOYSA-N
-rxn:4:207779:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)CC1,SASHKSWYWJESMO-UHFFFAOYSA-N
-rxn:4:207788:224612,O=C1[C@@H]2CSC(c3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)N2C(=S)N1c1ccc(Cl)cc1,UTAYDMAARVTMJX-QODXOHEASA-N
-rxn:4:207946:225978,COc1cc(-c2ccc(N3CCOCC3)nc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,WTRKWKPAFVGISI-UHFFFAOYSA-N
-rxn:4:207965:227078,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)ccc4C4CC4)ccc2OC32CCC(C)CC2)cc1,IFEAQBRBOQMMLD-UHFFFAOYSA-N
-rxn:4:209873:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCCC(C)C4)c(F)c3)c2)CC1,WIVSRUMJIQUDDD-UHFFFAOYSA-N
-rxn:4:209883:223810,Cc1cc(N2CCC(C)CC2)ncc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,YKNCQOGQXQGBRH-UHFFFAOYSA-N
-rxn:4:210592:223669,CC(=O)N1CCOc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cnc21,JXMBDLRLIUAGIS-UHFFFAOYSA-N
-rxn:4:210864:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOCC5)sc4c3)c2Cl)CC1,VKEWWQHHCPSHSV-UHFFFAOYSA-N
-rxn:4:211034:223998,Cc1cc(N2CC3C(C2)C3(C)C)ncc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,WCBAKVYPDOHMEL-UHFFFAOYSA-N
-rxn:4:211060:222465,CN1CCN(C2CCCc3cc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)ccc32)CC1,GXDHBKXMNQOHAX-UHFFFAOYSA-N
-rxn:4:212515:225227,CC1CCN(c2ncc(-c3nc(C(F)(F)F)nn3COCC[Si](C)(C)C)cc2Cl)CC1,CAXOMNPZIIHTAW-UHFFFAOYSA-N
-rxn:4:212523:225215,CC1CCN(c2nccc(-c3ccc(C(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)o3)c2Cl)CC1,ILAKCQZTAARLAJ-UHFFFAOYSA-N
-rxn:4:212526:222573,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)CC1,DNYRECKLOXOIKA-UHFFFAOYSA-N
-rxn:4:212546:223080,CC(C)NS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CC2)cc1,WVNCIZSPRIDHPJ-UHFFFAOYSA-N
-rxn:4:212575:222723,COc1ccccc1CC(=O)N1CC(Cn2cc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,IXYLJVJFSCOPPH-UHFFFAOYSA-N
-rxn:4:212606:223009,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(Cl)cc(C4CCNCC4)c3)cn2)C1,ARJARNMFRZCCGA-UHFFFAOYSA-N
-rxn:4:212607:224672,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)CC1,SDOYLFQMZYAZLY-UHFFFAOYSA-N
-rxn:4:212627:222992,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5O)cc4)cc3)C2)c1,JISWQVFXFGINQC-UHFFFAOYSA-N
-rxn:4:212627:225878,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(N5CCOCC5)c4)cc3)C2)c1,WZRHHZKNCHOBGR-UHFFFAOYSA-N
-rxn:4:212644:226424,CC1CCCN(c2csc(-c3cnc(OCC4CCCN(S(=O)(=O)Cc5ccc(F)cc5)C4)nc3)c2)C1,MNISOMYEAPEWRM-UHFFFAOYSA-N
-rxn:4:212648:223527,Cn1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,JIEZEEIKPHHZTP-UHFFFAOYSA-N
-rxn:4:212652:222448,COC(=O)c1cc(-c2cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,VYRCKMPKJJVQPP-UHFFFAOYSA-N
-rxn:4:212660:224325,COc1cccc(CN2CCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)c1,KYCWTNLPDRWJMT-UHFFFAOYSA-N
-rxn:4:212667:224633,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4OC)cn3)C2)cc1,QAVJVEHBJUNCTK-UHFFFAOYSA-N
-rxn:4:212711:222546,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)nn1,QTAJYEMKDMACPC-UHFFFAOYSA-N
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-rxn:4:212754:224634,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3ccc(OC)c(CN4CCOCC4)c3)ccc21,UPMLHDJOSAGTKR-UHFFFAOYSA-N
-rxn:4:212771:223106,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCC(O)C4)nc3Cl)cc2s1,ZKONXDRAPCKGTK-UHFFFAOYSA-N
-rxn:4:212771:225312,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCCN(C)CC4)nc3)cc2s1,JURRWZBDWLEPSG-UHFFFAOYSA-N
-rxn:4:212781:223893,CCN1CCN(CCOc2cccc(-c3cccc(C(=O)N=c4sc5cc(S(N)(=O)=O)ccc5n4CC(=O)OC)c3)c2)CC1,VHSXQGVROFUDAJ-UHFFFAOYSA-N
-rxn:4:212791:223609,CCOC(=O)c1nn2c(c1-c1cc3c(c4ccccc14)-c1ccccc1C3(C)C)CN(C(=O)OC(C)(C)C)CCC2,GLNGXIZKOYRAHQ-UHFFFAOYSA-N
-rxn:4:212832:226421,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(Cl)cc3N3CCCC3)cc1)SCC2,DCNTWRMTOPJUMN-UHFFFAOYSA-N
-rxn:4:212845:224400,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(N6CCOCC6)c(C(F)(F)F)c5)c4)n(Cc4ccco4)c(=O)c23)C1,GVXSSFIIYQOMSR-UHFFFAOYSA-N
-rxn:4:212868:223823,CCCN(CCC)c1cnnc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,OWOMYJJQCPXGKY-UHFFFAOYSA-N
-rxn:4:212888:224283,CN(Cc1ncc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cn1)C(=O)OC(C)(C)C,AKTNPDVRHYAUOF-UHFFFAOYSA-N
-rxn:4:212892:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(N(C(=O)OC(C)(C)C)C3CC3)nc2)c1,DCJCQXAKLRPSRX-UHFFFAOYSA-N
-rxn:4:212908:224247,CCOC(=O)N1CCCC(Oc2ncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cn2)C1,BWERRCVYZLPLIS-UHFFFAOYSA-N
-rxn:4:212944:223969,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)CC1,NURSDDSLAYNOLC-UHFFFAOYSA-N
-rxn:4:212947:224705,CC1CCN(c2ccc(-c3cnn(CC4CN(S(=O)(=O)Cc5cc(F)ccc5F)C4)c3)c(F)c2F)CC1,SEKDLEFXSUJYIA-UHFFFAOYSA-N
-rxn:4:212973:224759,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2cc(F)cc(C(=O)N3CCOCC3)c2)C1,HWCMTBFRBBLTJD-UHFFFAOYSA-N
-rxn:4:212979:223812,O=C(Cc1ccc(Cl)cc1)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,RVWWSDHDCQZQTQ-UHFFFAOYSA-N
-rxn:4:213011:225977,CC(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,YSHXSNFQDHRSFC-UHFFFAOYSA-N
-rxn:4:213052:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1cnc(OCC2CCN(C(=O)C3CC(F)(F)C3)CC2)nc1,RVKSYXOTSAPLLQ-UHFFFAOYSA-N
-rxn:4:213066:224888,N#Cc1ccc(-c2cccc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)o3)c2)cc1,QXZDRHWQLUMGGM-UHFFFAOYSA-N
-rxn:4:213073:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,FXRHFWZMOMLGTM-UHFFFAOYSA-N
-rxn:4:213079:223824,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cnc3OCc3ccccc3)nc2)CC1,ZWQMOKQSSXSYEK-UHFFFAOYSA-N
-rxn:4:213104:225892,COc1cnc(C(OC)OC)cc1-c1cccnc1OC1CCN(C(=O)CN2C(=O)CCC2=O)CC1,RLJJCZIDUOTQHL-UHFFFAOYSA-N
-rxn:4:213123:223114,CCCNC(=O)c1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,ZSGUOFZAOCDAIW-UHFFFAOYSA-N
-rxn:4:213131:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)cc1C,WRTNCUYVJSUFMR-UHFFFAOYSA-N
-rxn:4:213132:222546,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,QQCWSEGIHBQSMJ-UHFFFAOYSA-N
-rxn:4:213134:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)CC)CC4)nc3)c(Cl)c2)CC1,ZDHIZCUXQOSQIZ-UHFFFAOYSA-N
-rxn:4:213135:224290,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)cn2)CC1,CCSAJMISKTYBBU-UHFFFAOYSA-N
-rxn:4:213138:223167,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCNCC4)c3)cnc2F)CC1,YAKKHKVZVLZYBG-UHFFFAOYSA-N
-rxn:4:213144:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ILLWSMJMWDIMHX-UHFFFAOYSA-N
-rxn:4:213158:224710,CCCCOc1cc(-c2cnccc2OC2CCN(C(=O)c3cn(C)c(=O)cc3OC)C2)cc(C(F)(F)F)c1,WGLHKQBKNMEAPN-UHFFFAOYSA-N
-rxn:4:213185:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(C(=O)N4CCN(Cc5nc(-c6ccccc6)cs5)CC4)o3)cc2)CC1,YEJSPYSCWDLTRY-UHFFFAOYSA-N
-rxn:4:213192:228221,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(F)nc(C4CC4)c3)n2)CC1,FQOXOTUYNRHITP-UHFFFAOYSA-N
-rxn:4:213216:225165,COc1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)ccc1N1CCOCC1,HBGWPBKOCFZXAX-UHFFFAOYSA-N
-rxn:4:213237:225799,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cncc(OC4CCOCC4)c3)cc2)[nH]1,UUZVLOYDXZOGON-DEOSSOPVSA-N
-rxn:4:213260:223279,O=S1(=O)CCC(CN2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,MVQRRKWTSWLPHG-UHFFFAOYSA-N
-rxn:4:213262:222700,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)CC2)cc1,ODLRDOPLWQXNGO-UHFFFAOYSA-N
-rxn:4:213268:223061,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,ULKHVZSFHGAXCA-QYBDOPJKSA-N
-rxn:4:213268:223887,Cc1c(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)n(C(=O)OC(C)(C)C)c2ccccc12,NUYDLUNUANABNW-DCFHFQCYSA-N
-rxn:4:213269:222975,COc1ccc(-c2ccc(C(=O)NC3CC3)cc2C)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,UKNGYOMHXACNEA-UHFFFAOYSA-N
-rxn:4:213384:223904,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4cccc(C5CN(C(=O)OC(C)(C)C)C5)c4)CC3)[nH]c2c1,YKVPMWFYSLEAGD-UHFFFAOYSA-N
-rxn:4:213417:224770,CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3cc(C)cc(S(=O)(=O)N4CCCC4)c3)ccc21,BLADHQNORRDSLD-UHFFFAOYSA-N
-rxn:4:213469:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c(F)c1,NPJZEMPIONXHAD-IWWXRALLSA-N
-rxn:4:213480:224253,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)N5CCCCC5C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ICFGVVOIBNLBAE-ANLKPUEHSA-N
-rxn:4:213480:224619,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCCN5CCCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,VEYRXJQBEBBWDC-RDPIHECBSA-N
-rxn:4:213480:224762,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FMLNGSDGRPJVBU-SIGULORKSA-N
-rxn:4:213644:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(CC4CN(C(=O)c5c(F)cccc5Cl)C4)c3)c(F)cn2)CC1,FNFUGEIMGZRJLL-UHFFFAOYSA-N
-rxn:4:213653:225515,CC1(C)COc2cccc(-c3cncc(C(=O)N4CC(CN5C(=O)COC5=O)C4)c3)c2OC1,JVYUFGMFPGKPIO-UHFFFAOYSA-N
-rxn:4:213653:225892,COc1cnc(C(OC)OC)cc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,DDYNEOVSTUVTQB-UHFFFAOYSA-N
-rxn:4:213653:226464,COc1ccc2c(c1-c1cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c1)OCCO2,PXMBQEOMSJECST-UHFFFAOYSA-N
-rxn:4:213661:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(C(=O)OCC)CC4)nc3)cc2)CC1,HPZSDPNMPZRJOJ-HZCBDIJESA-N
-rxn:4:213768:224950,COc1ccc(-c2cnc(OCC3CCCN(C4COC4)C3)nc2)c(CN2CCCC2)c1,OSDCDWPSOFYFBV-UHFFFAOYSA-N
-rxn:4:213780:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(N3CCOCC3)nc2OCc2ccccc2)c(F)c(C(F)(F)F)c1,FTMDMVCTAYUMME-UHFFFAOYSA-N
-rxn:4:213799:222634,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)ncn2)C1,VYJWXXQVURFMCZ-UHFFFAOYSA-N
-rxn:4:213812:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CCC(Oc3ccc(C)nn3)CC2)o1,LSHLQLAJQSQYQF-UHFFFAOYSA-N
-rxn:4:213822:222546,Cc1nccc(OC2CCN(C(=O)c3cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)ccc3Cl)C2)n1,SLZZSWOKUICNQN-UHFFFAOYSA-N
-rxn:4:213830:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnn(CC2CCN(CC(C)C)CC2)c1,RMSHLYOIXKKBTC-UHFFFAOYSA-N
-rxn:4:213839:222584,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,KRQNRNGWQWOFSE-UHFFFAOYSA-N
-rxn:4:213877:222819,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(NC(=O)N4CCOCC4)nc3)c2)CC1,LTXPBMLJRGLQPM-UHFFFAOYSA-N
-rxn:4:213898:225898,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,STYNIQNVMNGAAW-UHFFFAOYSA-N
-rxn:4:213901:226471,CN(C)CCOc1ccc(-c2ccc(Cl)nc2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,DPOASWBVXUPTNT-UHFFFAOYSA-N
-rxn:4:213906:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4cccn4)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,UVSDRKRLEZIWCW-UHFFFAOYSA-N
-rxn:4:213948:224656,COc1ccc(-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)c(F)c1OC1CCCC1,QAEZMGWSQUGCAL-UHFFFAOYSA-N
-rxn:4:213952:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(CN4CCC(Oc5ncc(C)cn5)CC4)c3)cc2)CC1,HTJCHHPWKVWFGZ-UHFFFAOYSA-N
-rxn:4:213960:223728,CCCCCC1CCC(c2ccc(-c3cccnc3N3CCC(COc4ccncc4C)CC3)c(F)c2)CC1,DRIDRSGNPHHCRH-UHFFFAOYSA-N
-rxn:4:213985:223659,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,CEFBDBAEZPXIOG-UHFFFAOYSA-N
-rxn:4:213996:223556,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1ccc2c(c1)c1ccccc1n2C(=O)OC(C)(C)C,HVTAJBGNTVMMHM-UHFFFAOYSA-N
-rxn:4:214000:225898,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnn(CCN3CCOCC3)c2)cc1F,IAMQBMWHYZJQOO-UHFFFAOYSA-N
-rxn:4:214000:227470,CCCOc1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)c(C)n1,PMFKYVNGNUDUBF-UHFFFAOYSA-N
-rxn:4:214016:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCCCCC5)n4)cc3)cc2)CC1,MUOIKRSKPBCPRC-UHFFFAOYSA-N
-rxn:4:214051:223168,CC(C)c1sc(-c2cccnc2N2CCNCC2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,IYKDZLLDRCGOPU-UHFFFAOYSA-N
-rxn:4:214064:222755,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)NCc4cccs4)cc3)cc2N2CCOCC2)CC1,BRBMHXGMHHQBNE-UHFFFAOYSA-N
-rxn:4:214078:222822,CCN1CCN(Cc2ccc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cc2N2CCCCC2)CC1,LPCOMJXQZPXGIV-UHFFFAOYSA-N
-rxn:4:214180:222584,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)C1,SJCRNKZAYYJUDC-UHFFFAOYSA-N
-rxn:4:214202:225523,CCOC(=O)CCc1cccc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)c1,XHJQFQCSYDJDSC-WPYKKVEZSA-N
-rxn:4:214254:223884,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cnc21,MHOPAWHNLZMZQH-UHFFFAOYSA-N
-rxn:4:214254:224059,COc1c(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)cc(C(C)(C)C)cc1C(C)(C)C,FVAWQWHRGMJZJZ-UHFFFAOYSA-N
-rxn:4:214292:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)c1,QDGHJGGKQCMMFK-ROKPMTFOSA-N
-rxn:4:214321:225555,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)cc1,OUULFZXQJQJMTI-UHFFFAOYSA-N
-rxn:4:214353:224746,CC(=O)N1CCN(c2ccc(-c3cn([C@H]4CC[C@H](O[Si](C)(C)C(C)(C)C)CC4)c4nc(Cl)ncc34)cn2)CC1,NXGIUNWHBZKRRN-YHBQERECSA-N
-rxn:4:214379:229023,Cc1cc(C)c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cn1,AXOXPZRNARHWJO-UHFFFAOYSA-N
-rxn:4:214604:223748,COCC1CCCN1c1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cn1,BIAPIKACXODVNO-UHFFFAOYSA-N
-rxn:4:214627:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)c2)CC1,RBBGEBVGBKRXLI-UHFFFAOYSA-N
-rxn:4:214627:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,RRVPMNPEPQHIAG-UHFFFAOYSA-N
-rxn:4:214627:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)c1,UDQJGKCUGJXMLO-UHFFFAOYSA-N
-rxn:4:214627:224658,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)cc2)CC1,DBNSYLPQXJITCF-UHFFFAOYSA-N
-rxn:4:214628:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)cc2)CC1,OWCPDTJJFQYVLO-UHFFFAOYSA-N
-rxn:4:214631:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)C4)cn3)cc2)CC1,DSQIJNOPPMRWNG-UHFFFAOYSA-N
-rxn:4:214632:224063,COC(=O)C1CCN(c2ncc(-c3cc(C4CC4)cc(N4CCCC(C)C4)c3)cn2)CC1,AFUKDFARNLLWHI-UHFFFAOYSA-N
-rxn:4:214669:222723,CC(=O)N1CCC(Cc2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,JKUNEAFFVKTNPT-UHFFFAOYSA-N
-rxn:4:214695:223532,CCN1CCN(Cc2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,MJHXAFOIMAYTNP-UHFFFAOYSA-N
-rxn:4:214706:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)C4)cn3)cc2)CC1,BMWXFUYQYCALAG-UHFFFAOYSA-N
-rxn:4:214709:224575,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(C)CC4)cc3C#N)cn2)CC1,WSLFHFMSBQPJAI-UHFFFAOYSA-N
-rxn:4:214711:222694,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,JJEBZADWNQDVLQ-UHFFFAOYSA-N
-rxn:4:214718:224689,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(C(=O)N4CCCCC4)cc3Cl)c2)CC1,CNYSQWWGBNBPDX-UHFFFAOYSA-N
-rxn:4:214762:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(CN3CCN(C(C)C)CC3)cn2)c1,JCDKMTMSXBEKTQ-UHFFFAOYSA-N
-rxn:4:214778:225986,CC(C)N1CCN(c2cc(C(F)(F)F)c(-c3ccccc3N3CCCS3(=O)=O)cn2)CC1,AZQWPDOFOFLGKP-UHFFFAOYSA-N
-rxn:4:214782:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCC(C#N)(c4ccccc4)CC3)nc2)CC1,SOEVRXZHSUTRTJ-UHFFFAOYSA-N
-rxn:4:214790:223598,Cc1c(Cl)cccc1-n1nnc(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)c1C,GZNCYZBPDJPFIJ-UHFFFAOYSA-N
-rxn:4:214818:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)ccn2)CC1,FMMMNNPNWICIEH-UHFFFAOYSA-N
-rxn:4:214819:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,IRMOWMMVEIPJDV-UHFFFAOYSA-N
-rxn:4:214821:225364,Cc1cc(F)c(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)cc1S(=O)(=O)N(C)C,SJOSOELQPBTWCJ-UHFFFAOYSA-N
-rxn:4:214850:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(CC3CCCN(C(C)C)CC3)cn2)CC1,ASLSCUUJWPQCNV-UHFFFAOYSA-N
-rxn:4:214855:222985,Cc1nc(C2CCCNC2)ccc1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,HTEHYZSSQPAWEB-UHFFFAOYSA-N
-rxn:4:214855:225611,COc1cc(N2CCCC2)ccc1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,WZIRKJKNHOCPOI-UHFFFAOYSA-N
-rxn:4:214859:223748,Cn1ccc(C2CCCN(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5)cc(N5CCCCC5)c4)cc3)C2)n1,QVCYXDGVFHRMFL-UHFFFAOYSA-N
-rxn:4:214862:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)CC1,JDHFLOPPWDFVKF-UHFFFAOYSA-N
-rxn:4:214862:225093,CCCOc1c(Cl)cc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc1OCC,UINZPBGSMDPDTL-UHFFFAOYSA-N
-rxn:4:214871:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1Cl,CEYLXUJBVPGYRL-UHFFFAOYSA-N
-rxn:4:214874:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c2)CC1,KPXJJZLZABJJPG-UHFFFAOYSA-N
-rxn:4:214883:225636,CC1CCN(c2cc(-c3cnccc3N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)ccn2)CC1,IXIVMJNNVPNGSQ-UHFFFAOYSA-N
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-rxn:4:214888:226619,Cc1nc(N2CCCC2)ncc1-c1cncc(C(=O)N2CCC3(CC2)OC(=O)N(c2ccccc2)C3=O)c1,DOKMDIYATIBFGJ-UHFFFAOYSA-N
-rxn:4:215099:222745,C[C@@H]1Cn2ncc(-c3cccc(CNC(=O)OC(C)(C)C)c3)c2CN1C(=O)OC(C)(C)C,KYGYMOZPSLUUSD-MRXNPFEDSA-N
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-rxn:4:215740:224251,CC1CCCN(C(=O)c2ccc(-c3cnn(C)c3C(=O)N3CCC(F)(F)C3)c(F)c2)C1,QLBLVXXSRHBVBA-UHFFFAOYSA-N
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-rxn:4:215780:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(F)(F)CC2)c(C#N)c1,OIIBJGKZBOHXFG-UHFFFAOYSA-N
-rxn:4:215780:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCC(F)(F)CC2)c(C#N)c1,UFMQPNBQYIJETD-UHFFFAOYSA-N
-rxn:4:215780:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCC(F)(F)CC2)c(C#N)c1,FTOXDHPQVOFDTO-UHFFFAOYSA-N
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-rxn:4:215822:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C4CC4)cc(N4CCCC4)n3)c(F)cc2C)CC1,NSOBFFGIUCIVAH-UHFFFAOYSA-N
-rxn:4:215844:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCN(C)CC4)n3)c2)CC1,ZDRLFSJNNDSLII-UHFFFAOYSA-N
-rxn:4:215846:222619,CC1CN(C(=O)c2c(-c3ccc(CNC(=O)C4CCCCC4)cc3)cnn2C)CCO1,XLFHLQNWDKWFGQ-UHFFFAOYSA-N
-rxn:4:215852:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)nc(C4CC4)n3)cc2)CC1,CSUSFWRFASSURM-UHFFFAOYSA-N
-rxn:4:215859:223835,Cc1cc(F)c(-c2ccc(N3CCN(C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCC(C)CC1,NXJUXHJDMBPNAB-UHFFFAOYSA-N
-rxn:4:215863:224325,CN1CCN(C(=O)c2cnc(Cl)c(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,QTHNBDMGFAUWBS-UHFFFAOYSA-N
-rxn:4:215883:223602,CCN1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,UFTXEGMFKLPLPV-UHFFFAOYSA-N
-rxn:4:215913:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C)CC4)c(C(F)(F)F)c3)cc2)CC1,DLTRSLYNFQYGEB-UHFFFAOYSA-N
-rxn:4:215913:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(C)CC2)c(C(F)(F)F)c1,LRTVZTRZSIZVLI-UHFFFAOYSA-N
-rxn:4:215914:223534,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,DQRFTERZHAHUTQ-UHFFFAOYSA-N
-rxn:4:215914:224326,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)ccc1S(=O)(=O)N1CCCCC1,WCEPCSZRHWRWMO-UHFFFAOYSA-N
-rxn:4:215926:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(N4CCCCC4)nc(C4CC4)n3)c2)CC1,GJUARENGCNXAMQ-UHFFFAOYSA-N
-rxn:4:215938:224485,CC(=O)N1CCCN(c2ncccc2-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)CC1,RAOCTXYOWKIWCI-UHFFFAOYSA-N
-rxn:4:215941:222584,CN(C)C1CCN(c2cnccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,MVSGUSYCAWEHRM-UHFFFAOYSA-N
-rxn:4:215949:224397,CC(C)c1nc(N2CCN(C)CC2)sc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1,UKEYXUSGVJWSRF-UHFFFAOYSA-N
-rxn:4:215990:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(N2CCN(C3CCN(C)CC3)CC2)cc1,QCLIBJRWOUKQOU-UHFFFAOYSA-N
-rxn:4:216207:223482,COc1nccc2c1c(-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c1)nn2C1CCCCO1,SKQTXYRYRKZAGR-UHFFFAOYSA-N
-rxn:4:216262:224198,CCN1CCN(Cc2ccc(-c3cc(-n4nc(C)c5c4CC(C)(C)CC5=O)ccc3C#N)c(F)c2)CC1,OTOHMRCINUUGCQ-UHFFFAOYSA-N
-rxn:4:217156:223835,Cc1cc(F)c(-c2cccc(N3CCN(C)C(=O)C3)n2)cc1S(=O)(=O)N1CCC(C)CC1,IKUHGRRNZBWERB-UHFFFAOYSA-N
-rxn:4:217206:223845,Cc1cc(N2CCC(C)CC2)nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)n1,JSUZINWTBINYHY-UHFFFAOYSA-N
-rxn:4:217212:223835,Cc1cc(F)c(-c2c(C)ccnc2N2CCN(C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,NVSZLFHCTBGHTB-UHFFFAOYSA-N
-rxn:4:217889:224702,Cc1c(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc(F)c(OC2CCCC2)c1F,UEPPKVPBZHFSNR-UHFFFAOYSA-N
-rxn:4:218587:222844,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccc(NC(=O)C5CCCC5)c4)cn3)CC2)cc1,UTFOQDAOAAFTND-UHFFFAOYSA-N
-rxn:4:218589:225652,CC1CCCN(c2cncc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)c2)C1,GMWNEYBYSAKGML-UHFFFAOYSA-N
-rxn:4:218604:225172,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)cn1,HKJSCOFPABDBKN-UHFFFAOYSA-N
-rxn:4:218656:224407,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)cn2)C1,HHNDERZZROVWPE-UHFFFAOYSA-N
-rxn:4:218663:225566,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4ccc(OCC5(C)COC5)cc4)cn3)CC2)cc1,KPTOGPSSCXKBBM-UHFFFAOYSA-N
-rxn:4:218681:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)nc3)c2)C1,QLSOFFFNPVRPHF-UHFFFAOYSA-N
-rxn:4:218681:225984,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)CC2)CC1,GKSQQLRSFVBIHZ-UHFFFAOYSA-N
-rxn:4:218682:224830,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(C(F)(F)F)nn4C4CCCCO4)cn3)C2)CC1,CCLVWLNXCZKNSN-UHFFFAOYSA-N
-rxn:4:218682:225748,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccncc4OCC4CCCO4)cn3)C2)CC1,ORLCGTKUCZWQNC-UHFFFAOYSA-N
-rxn:4:218682:225890,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cnn(COCC[Si](C)(C)C)c4)cn3)C2)CC1,SETRSNHWQRZWIS-UHFFFAOYSA-N
-rxn:4:218705:223059,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3)n[nH]2)CC1,PKFDVALXCNTWCR-UHFFFAOYSA-N
-rxn:4:218705:224971,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(CN5CCN(C)CC5)cc4)cc3)n[nH]2)CC1,QOBUEPYSQGSTIW-UHFFFAOYSA-N
-rxn:4:218713:225911,COC(=O)c1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)c(Cl)cc1OC,OSHDBVNCLCKKJL-UHFFFAOYSA-N
-rxn:4:218729:223834,Cc1cc(-c2ccc(-c3nc4sccn4c3C=NOCC(=O)N3CCOCC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,QTBIWJYAPGHTIP-UHFFFAOYSA-N
-rxn:4:218748:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)Cn5ccc6ccccc65)CC4)nc3)c2)CC1,UOSIOUZOFRUHEF-UHFFFAOYSA-N
-rxn:4:218773:222934,CCNC(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)cc([N+](=O)[O-])c1,YAHUVPDFSDJROW-UHFFFAOYSA-N
-rxn:4:218805:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(CC4CN(C(=O)Cc5cccnc5)C4)c3)c(F)cn2)CC1,ORDADYATSJNYPJ-UHFFFAOYSA-N
-rxn:4:218824:222395,CN(CC1CN(c2ncc(-c3cccc(C(=O)NC4CCC(O)CC4)c3)cn2)C1)S(=O)(=O)C1CC1,YRFIOBVTXLUFHQ-UHFFFAOYSA-N
-rxn:4:218847:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(OC2CCN(C(=O)c3cccnc3OC)C2)nc1,NRPWKVWBHJKHGK-UHFFFAOYSA-N
-rxn:4:218857:223918,CN(C(=O)c1ccc(F)c(-c2cnccc2OC2CCN(C(=O)c3cn(C)nc3C(F)F)C2)c1)C1CCCCC1,XVPXDSXFMVDWFM-UHFFFAOYSA-N
-rxn:4:218885:223595,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,TWLQJLZKDYAEOE-UHFFFAOYSA-N
-rxn:4:218889:223813,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cn3)C2)no1,HJIMXADBIGGVRM-UHFFFAOYSA-N
-rxn:4:218892:224317,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(C(=O)N5CCN(C)CC5)cc4F)c3)C2)nn1,QFQRQQXLVZHSDA-UHFFFAOYSA-N
-rxn:4:218893:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCC(COc5ccncc5)C4)c(C#N)c3)c2)CC1,UBIGOOBGBDDNLV-UHFFFAOYSA-N
-rxn:4:218899:224976,N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cccc(N5CCCCC5)c4C#N)cn3)CC2)cc1,UCXDGGNDRUQARF-UHFFFAOYSA-N
-rxn:4:218899:225218,CC1CCCN(c2ncc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cc2Cl)C1,IUDWUQPPXJVBHE-UHFFFAOYSA-N
-rxn:4:218899:225294,CCN1CCN(c2ncc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cn2)CC1,IIPVSDFTRLXDET-UHFFFAOYSA-N
-rxn:4:218899:225312,CN1CCCN(c2ncc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cn2)CC1,WDNUURBZRGHTDZ-UHFFFAOYSA-N
-rxn:4:218907:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCN(Cc5ccccn5)CC4)nc3)c2)CC1,QJBHOEWAPDTIBC-UHFFFAOYSA-N
-rxn:4:218945:225979,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCOCC4)c(Cl)c3)cncc2[N+](=O)[O-])CC1,QFVRHWZABCHBAK-UHFFFAOYSA-N
-rxn:4:218947:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(SC)nc3N3CCCC(COc4ccncc4)C3)cc2C)CC1,IBAYWEMCMFOTPS-UHFFFAOYSA-N
-rxn:4:218972:224306,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(C(F)(F)F)cc4OC4CCCC4)cn3)C2)s1,JIZVAXVVINJPIE-UHFFFAOYSA-N
-rxn:4:218976:226866,O=C1C(N2CCC(Oc3ncc(-c4cc(Cl)cc(OC(F)(F)F)c4)cn3)CC2)CCN1CC(F)(F)F,SCTONNBCPKENPX-UHFFFAOYSA-N
-rxn:4:218982:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)c3)c(F)c2)CC1,FIALPHMNRAWFBI-UHFFFAOYSA-N
-rxn:4:218982:223811,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,WPUNMERRRGWKCL-UHFFFAOYSA-N
-rxn:4:218992:222432,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cn3)C2)CC1,FSOQPRQHDNEEDD-UHFFFAOYSA-N
-rxn:4:218992:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnn(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,FMMQBCQBZRAZID-UHFFFAOYSA-N
-rxn:4:219013:223167,CC1CN(c2c(-c3ccnc(N4CCNCC4)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,CHTOJZIRLKGCDI-UHFFFAOYSA-N
-rxn:4:219161:225289,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cc(C(F)(F)F)ccc3OC(C)C)cnn12,ABROMRZOYRBXAR-UHFFFAOYSA-N
-rxn:4:219338:222537,CN(C)C(=O)N1CCC(Oc2ncc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)CC1,RGJMVZYTEXDKOZ-UHFFFAOYSA-N
-rxn:4:219338:223902,CC1CCN(CCOc2ccc(-c3cnc(OC4CCN(C(=O)N(C)C)CC4)nc3)cc2F)CC1,PWVDBGQKEHLPAJ-UHFFFAOYSA-N
-rxn:4:219339:223812,COc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c(C(=O)N2CCC(n3ccnn3)C2)c1,GIZFQSAFOWWOOZ-UHFFFAOYSA-N
-rxn:4:219353:222604,COc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,LACJQPUKHAVRCQ-UHFFFAOYSA-N
-rxn:4:219384:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c2)CC1,HKYMBMWJHYLAHV-UHFFFAOYSA-N
-rxn:4:219407:222723,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ZPVLCDVJJAROIA-UHFFFAOYSA-N
-rxn:4:219410:223284,CS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,OHJIRHDWKNPOJL-UHFFFAOYSA-N
-rxn:4:219414:225302,CC(C)(C)c1cnc(C(F)(F)F)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C#N)c1,WVGJITHPRGVYJC-UHFFFAOYSA-N
-rxn:4:219431:224486,CC(C)N(C(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)c1)C(C)C,VQHIWOHHBPVEBD-UHFFFAOYSA-N
-rxn:4:219436:223919,CN(C(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cc1Cl)C1CCCCC1,HFYJHYZZPYEDNQ-UHFFFAOYSA-N
-rxn:4:219466:223570,Cc1cccc(CN2CCC(Oc3ncc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cn3)CC2)n1,WWSOSGQLFSOPNE-UHFFFAOYSA-N
-rxn:4:219477:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,WVXSBQSBHRXJSF-UHFFFAOYSA-N
-rxn:4:219478:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,WMWJCZUFLVYQLG-UHFFFAOYSA-N
-rxn:4:219485:223482,COc1ccc(-n2nnc(-c3nc(-c4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)cc4)cs3)c2C)cc1,MNDCWOVWRKXBPR-UHFFFAOYSA-N
-rxn:4:219488:226551,CCOc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc(Cl)c1OC,ORBHCUIBQLLCIM-HNNXBMFYSA-N
-rxn:4:219489:224998,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(C(=O)N2CCCCC2)c1,BUXNUWPYLBVWDB-UHFFFAOYSA-N
-rxn:4:219495:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnccc3OC3CCN(c4cc(C5CCC5)ncn4)C3)cc2)CC1,UNDKMIACKDNTKN-UHFFFAOYSA-N
-rxn:4:219500:223439,N#Cc1cc(-c2cc(C(F)(F)F)[nH]n2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,VDXHGMYRKBYNOV-UHFFFAOYSA-N
-rxn:4:219500:225898,N#Cc1cc(-c2cnn(CCN3CCOCC3)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,JRIMZTWOZUEDKI-UHFFFAOYSA-N
-rxn:4:219508:224758,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)CC2)cc(C(F)(F)F)n1,BGZTXENDGZVFCH-UHFFFAOYSA-N
-rxn:4:219530:225890,C[Si](C)(C)CCOCn1cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cn1,HMWRVVAKWLOQRO-UHFFFAOYSA-N
-rxn:4:219532:223787,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,UZIGOOIPKVPDFO-UHFFFAOYSA-N
-rxn:4:219535:225054,CC1CCCCN1c1ccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c(Cl)c1,SQLQGNHBOUZDGU-UHFFFAOYSA-N
-rxn:4:219535:225829,CC1CCN(c2ncc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)cn2)CC1,MTMPNIIZDVXLPO-UHFFFAOYSA-N
-rxn:4:219537:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCN(c2ccc(C3CC3)nn2)CC1,MQUIQFJCFRBSDI-UHFFFAOYSA-N
-rxn:4:219543:225975,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)CC2)n1,LHBCSIRFEHHQAP-UHFFFAOYSA-N
-rxn:4:219565:225665,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4N4CCCCC4)cc3)CC2)n1,QXZKTBFOGUESSJ-UHFFFAOYSA-N
-rxn:4:219565:225977,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3)CC2)n1,HCRGCRVMRWDCOM-UHFFFAOYSA-N
-rxn:4:219565:226413,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cccc(N5CCOCC5)c4)cc3)CC2)n1,PJYZIYQWPKGYRZ-UHFFFAOYSA-N
-rxn:4:219565:226619,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC5)nc4C)cc3)CC2)n1,MCNTXDMTAUABAY-UHFFFAOYSA-N
-rxn:4:219629:223528,COc1ccc2nccc(N3CC(Cn4cc(-c5ccc(F)c(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)C3)c2c1,YBFMEBCZARIDFO-UHFFFAOYSA-N
-rxn:4:219638:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C4CCCN4C(=O)OC(C)(C)C)nnn3c2)cc1,SXGJVVCWLGSCMF-UHFFFAOYSA-N
-rxn:4:219653:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)CC1,VRADMOZZWXTNRP-UHFFFAOYSA-N
-rxn:4:219654:222546,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cc23)CC1,HLGMWLUCWIQEJS-UHFFFAOYSA-N
-rxn:4:219654:224773,Cc1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)ccc1S(=O)(=O)N1CCCC1,CKUVUEJSTXVBDS-UHFFFAOYSA-N
-rxn:4:219716:222838,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(CNC(=O)C(C)(C)C)cc5)cc4)CC3C2)ncn1,AVLYDZGCAAOLFQ-UHFFFAOYSA-N
-rxn:4:219743:224667,CC(C)c1sc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,MWZUTTAAJDYOPD-UHFFFAOYSA-N
-rxn:4:219766:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)c3)cc2)CC1,GAVPOCGOYRFKMU-UHFFFAOYSA-N
-rxn:4:219840:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCN(CCF)CC4)nc3)cc2C1,RMKZIDVOUOHPCG-UHFFFAOYSA-N
-rxn:4:219890:224317,CCN1CCN(Cc2nn(C)cc2-c2ccc(C(=O)N3CCN(C)CC3)cc2F)CC1,SHDCULVIZSKGPE-UHFFFAOYSA-N
-rxn:4:219894:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(C(=O)N4CCC(n5ccnn5)CC4)c3)cc2C)CC1,DPKHQARFNZPSMI-UHFFFAOYSA-N
-rxn:4:219931:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)ccc(F)c2s1,HZVQVCPNKHIORW-UHFFFAOYSA-N
-rxn:4:219937:224065,CC1CCN(c2cc(-c3cccc(C4CN(S(=O)(=O)c5cn(C)cn5)CCO4)n3)cc(C3CC3)c2)CC1,PMUJTFSVZWQCOY-UHFFFAOYSA-N
-rxn:4:219941:224325,COc1cc(N2CCN(c3ncc(Cl)cc3-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)CC2=O)ccn1,RXRUGCZALVSJOM-UHFFFAOYSA-N
-rxn:4:219955:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,BJUAWYNPJNFAIB-UHFFFAOYSA-N
-rxn:4:219959:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1C,MWDHTPPMYLQRQA-UHFFFAOYSA-N
-rxn:4:219964:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ncncc3C)CC2)c1,DIBRKDOCHCZGOE-UHFFFAOYSA-N
-rxn:4:219975:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c2)CC1,JXLNAKNRDDUJJL-UHFFFAOYSA-N
-rxn:4:220123:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)c(F)ncc21,FXTFPNXFQQELFS-UHFFFAOYSA-N
-rxn:4:220137:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)s2)CC1,NRMAVGQJKYPRPO-UHFFFAOYSA-N
-rxn:4:220162:225684,CSc1ncc(-c2ccc(C3CCOCC3)nc2C)c(N2CC(N3CC4CCCC4C3)C2)n1,PBMWKIDGAFETQK-UHFFFAOYSA-N
-rxn:4:220194:223022,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)NCCOC)cc5)c(C)c4)C3C2=O)cc1,RQXLJOJURPUTBX-UHFFFAOYSA-N
-rxn:4:220222:223602,Cc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,FDVDGYUJUKZTBV-UHFFFAOYSA-N
-rxn:4:220226:222546,O=C(C1CCCN(c2ncc3cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)ccc3n2)C1)N1CCOCC1,GICAZGMZONESRI-UHFFFAOYSA-N
-rxn:4:220266:225749,COc1ccc(C(=O)N(C)C)cc1-c1nc2c(=O)n(C)c(=O)n(C)c2n1CC(=O)C12CC3CC(CC(C3)C1)C2,FAUFWDCTVCZJGX-UHFFFAOYSA-N
-rxn:4:220394:223835,Cc1cc(F)c(-c2cnc(N3CCN(C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCC(C)CC1,KYHHDLGZVFZOGI-UHFFFAOYSA-N
-rxn:4:220394:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(C)CC3)c(C#N)c2)CC1,SLLSPUHCJMOWBY-UHFFFAOYSA-N
-rxn:4:220394:223970,Cc1ccc(-c2cnc(N3CCN(C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCC(C)CC1,ONZWKYOYFUROAK-UHFFFAOYSA-N
-rxn:4:220394:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C)CC4)c(C#N)c3)c2)CC1,CNMKOWCMOKELAW-UHFFFAOYSA-N
-rxn:4:220394:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(C)CC3)c(C#N)c2)CC1,SEXTXOUPPPPFJQ-UHFFFAOYSA-N
-rxn:4:220394:223992,Cc1ccc(-c2cnc(N3CCN(C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCN(C)CC1,FIOKBVOIHSTWIL-UHFFFAOYSA-N
-rxn:4:220394:223993,Cc1cc(-c2cnc(N3CCN(C)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCN(C)CC1,QEETWANIIDAYHP-UHFFFAOYSA-N
-rxn:4:220431:223835,Cc1cc(F)c(-c2cnc(N3CCN(c4cccc(C)c4C)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,JBQBVADEDSSURH-UHFFFAOYSA-N
-rxn:4:220431:223842,Cc1cccc(N2CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cn3)CC2)c1C,CEFQEJAXIFOSNN-UHFFFAOYSA-N
-rxn:4:220540:222946,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCCCC6O)nc5Cl)cc4)C3C2=O)c1,PDMUPSLEZBXJMG-UHFFFAOYSA-N
-rxn:4:220545:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)cc2[N+](=O)[O-])CC1,USYBWHKIBBKIDG-UHFFFAOYSA-N
-rxn:4:221110:229224,CCn1nccc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,YOQCATHIVGLMAV-UHFFFAOYSA-N
-rxn:4:221115:222518,CCOc1ccc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,INGPUWJAVDUTAA-UHFFFAOYSA-N
-rxn:4:221116:223440,CCOc1ccc(-c2ccc(C3CC3)[nH]2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,IEMGFKLWPVNPTJ-UHFFFAOYSA-N
-rxn:4:221116:226615,CCOc1ccc(-c2ccnc(-n3cc(C)cn3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,XPOJUZFZGXWMIC-UHFFFAOYSA-N
-rxn:4:221116:229260,CCOc1ccc(-c2ccc(Cl)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,FXTJNQRDKGWETK-UHFFFAOYSA-N
-rxn:4:221152:224127,CCN1CCN(C(C)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)cc2)CC1,YCOOYUBEIJUSJM-UHFFFAOYSA-N
-rxn:4:221159:222696,Cc1nc(CN2CCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCC(O)CC5)c4)cn3)CC2)no1,HCJCFPPJYPDGLX-UHFFFAOYSA-N
-rxn:4:221169:222540,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)C2)cn1,YNXYUHZYWWDBFV-UHFFFAOYSA-N
-rxn:4:221175:225149,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(-n5ccnc5C)cc4OC)cn3)C2)C(=O)C1=O,VXWNMBOWXIOHRK-UHFFFAOYSA-N
-rxn:4:221175:227867,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc5c4OCCC5)cn3)C2)C(=O)C1=O,NAYXSEFEGJGAFU-UHFFFAOYSA-N
-rxn:4:221175:228192,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N(C)C)nc4C)cn3)C2)C(=O)C1=O,UMCDAZMCAWNDJV-UHFFFAOYSA-N
-rxn:4:221175:228416,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)cc(F)cc4OC)cn3)C2)C(=O)C1=O,DQKDVOMXJWFCAD-UHFFFAOYSA-N
-rxn:4:221180:223787,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)nn1C,UEFVSLKCMDQCND-UHFFFAOYSA-N
-rxn:4:221189:222612,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)C2)nn1,IHFNYLJYCHTOGP-UHFFFAOYSA-N
-rxn:4:221232:225986,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccccc4N4CCCS4(=O)=O)cn3)C1)CCOC2,ZPNXMQATIDOPCS-UHFFFAOYSA-N
-rxn:4:221249:222699,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cnn4c3)cc2)CC1,FXLGFZAXJHGTRZ-UHFFFAOYSA-N
-rxn:4:221249:222948,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(N6CCC(O)CC6)nc5Cl)cnn4c3)cc2)CC1,CBWXFIBYCIZDDF-UHFFFAOYSA-N
-rxn:4:221250:226492,COCCOc1ccc(Cl)c(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c1,NRWVKHXUJRBWGO-UHFFFAOYSA-N
-rxn:4:221376:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCN(c5cc(C6CC6)ncn5)CC4)nc3)c2)C1,MRPXJHYIKUOZIC-UHFFFAOYSA-N
-rxn:4:221382:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)c2)CC1,NSSOZOXNYPRETI-UHFFFAOYSA-N
-rxn:4:221389:222584,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1C,MUECXYUNPAAQPU-UHFFFAOYSA-N
-rxn:4:221391:224372,CSc1ncc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,OZGHYLGIFOXQRZ-UHFFFAOYSA-N
-rxn:4:221392:224254,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)cn3)CC2)n1,HMGKFDIZCDFDOT-UHFFFAOYSA-N
-rxn:4:221393:224884,CC1CCN(Cc2cccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2)CC1,WFZCWIRZWBKUIR-UHFFFAOYSA-N
-rxn:4:221393:225446,Cc1cc(OC2CCCC2)cc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c2)c1,QZLRNPUFZKUZSB-UHFFFAOYSA-N
-rxn:4:221395:222717,Cc1cc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)cc1F,FJAUATYLTBRSRJ-UHFFFAOYSA-N
-rxn:4:221395:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)ccc2C)CC1,DQMXDYMNNQBDLF-UHFFFAOYSA-N
-rxn:4:221413:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)o1,NOQPKPUJARKVSH-UHFFFAOYSA-N
-rxn:4:221416:222948,O=C(c1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,AAUOJCVBEUBPPP-UHFFFAOYSA-N
-rxn:4:221419:224677,CC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(Cl)c(C(=O)N5CCCCC5)c4)cn3)CC2)n1,WRGQMVSCEFSDBG-UHFFFAOYSA-N
-rxn:4:221422:226468,CN1C(=O)COc2c(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)cccc21,GQQSBFKBPIOYLN-UHFFFAOYSA-N
-rxn:4:221433:223183,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c(C)c1,NMFUDODFBBKGDC-UHFFFAOYSA-N
-rxn:4:221433:225223,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(N5CCC(C)CC5)cc4F)cc3)CC2)n1,SNBWDDOMLGUBQQ-UHFFFAOYSA-N
-rxn:4:221447:225797,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)cc3)CC2)nc(N2CCOCC2)n1,BWXHZYHYOVDYKH-UHFFFAOYSA-N
-rxn:4:221449:223140,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,KWXGKNMXJTVWLK-UHFFFAOYSA-N
-rxn:4:221452:227051,CCC(=O)c1ccc(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)c2)c(C)c1,PMQRWVNIORZKPZ-UHFFFAOYSA-N
-rxn:4:221452:227362,CCOc1cc(C)cc(F)c1-c1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,WKFCAYCGBXFLCM-UHFFFAOYSA-N
-rxn:4:221456:224581,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(-n5ccc(C)n5)ccc4C4CC4)cc3)CC2)n1,VGBNDDXLTIUQJS-UHFFFAOYSA-N
-rxn:4:221456:226135,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)c(C#N)cc4C)cc3)CC2)n1,NIZCAEFTNJNCLU-UHFFFAOYSA-N
-rxn:4:221456:226421,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4N4CCCC4)cc3)CC2)n1,VMJRLAQGDKRNRO-UHFFFAOYSA-N
-rxn:4:221456:226913,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc(C2CC2)c1,DVTYSMYPRYAKJB-UHFFFAOYSA-N
-rxn:4:221456:226994,CCCOc1ccc(C)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,XWUHFMGPVNVHFH-UHFFFAOYSA-N
-rxn:4:221456:227087,Cc1cnc(C(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,IXKFNNIYWCLVPX-UHFFFAOYSA-N
-rxn:4:221456:227108,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)ccc4F)cc3)CC2)n1,QICDZNCOPGQYCQ-UHFFFAOYSA-N
-rxn:4:221456:227379,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4N4CCCC4)cc3)CC2)n1,VNJJEOCRMPENIK-UHFFFAOYSA-N
-rxn:4:221456:227961,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)nc4C)cc3)CC2)n1,NKXVIAUZAWKIJI-UHFFFAOYSA-N
-rxn:4:221456:228215,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(C#N)c4F)cc3)CC2)n1,HQJBFOBNSKPOMW-UHFFFAOYSA-N
-rxn:4:221456:228281,COc1cc(Cl)c(C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,BMEAQEUQRDOFSL-UHFFFAOYSA-N
-rxn:4:221456:228484,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([N+](=O)[O-])c(F)c4)cc3)CC2)n1,SRKGWLICGISFIN-UHFFFAOYSA-N
-rxn:4:221528:224687,CC(C)c1sc(-c2cc(F)cc(CN3CCC(=O)CC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,KPFBCVLIVPJZQZ-UHFFFAOYSA-N
-rxn:4:221572:225977,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,MKHTUPMGIPDQJA-UHFFFAOYSA-N
-rxn:4:221618:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5ccnc(C(F)(F)F)c5)C(=O)C4)nc3)c2)CC1,SDZXSYRTIPOKQZ-UHFFFAOYSA-N
-rxn:4:221645:224008,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4cc(C(=O)N5CCOCC5)cc([N+](=O)[O-])c4)cn3)CC2)n1,XBBAQMMHXFDINZ-UHFFFAOYSA-N
-rxn:4:221645:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)CC1,BEXRADNIHABBJA-UHFFFAOYSA-N
-rxn:4:221680:222602,CC(C)Cc1cc(-c2cnc(N3CC(Cn4nc5c(cc4=O)CCC5)C3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,AZZXPNHVQFEKNQ-UHFFFAOYSA-N
-rxn:4:221692:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnn(CC3CN(c4ncnc5c4CCCC5)C3)c2)CC1,TVWDFPRAVUHMFL-UHFFFAOYSA-N
-rxn:4:221727:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)ccc(F)c2s1,MXFJJCPZRVBWKI-UHFFFAOYSA-N
-rxn:4:221779:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCC5(CC3)OCCO5)c3ccccc34)cc2)ccc1F,LSOBLBGIWUGRNM-UHFFFAOYSA-N
-rxn:4:221780:226303,CCCC(=O)c1ccc(Cl)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5C4CCCCC4)n(C)c3=O)cc2)c1,DRCBCFPMIIMYPQ-UHFFFAOYSA-N
-rxn:4:221780:226606,CC(C)Oc1c(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5C4CCCCC4)n(C)c3=O)cc2)cc1Cl,CTYFPJBFKMIALR-UHFFFAOYSA-N
-rxn:4:221920:223240,CCOc1ccc(-c2ccc(C3CCNC3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,GJZMPWLRFRQAJA-UHFFFAOYSA-N
-rxn:4:221937:222612,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)CC2)nn1,JQZHRZIZZYQGHU-UHFFFAOYSA-N
-rxn:4:221965:225892,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(OC)OC)ncc5OC)cc4)CC3)nn2)CC1,ZNUSVSYNWCLBDW-UHFFFAOYSA-N
-rxn:4:221967:222523,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)cc2)c1=O,KBTHGZVMAOCXIA-UHFFFAOYSA-N
-rxn:4:221967:224408,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)cc2)c1=O,XHZSJXWZMNFDMF-UHFFFAOYSA-N
-rxn:4:221980:225984,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(Cl)c(N6CCOCC6)c5)c4)sc3n2)CC1,RSJIODOCUYZJBL-UHFFFAOYSA-N
-rxn:4:221990:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc1C,YHKPISVFKLXRJS-UHFFFAOYSA-N
-rxn:4:222007:223813,Cc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(CN6CCC7(CC6)OCCO7)c(F)c5)c4)C3)nn2)n1,BXDGWQDNYHPAFN-UHFFFAOYSA-N
-rxn:4:222008:223979,Cc1nnc(CN2CCC(Oc3ncc(-c4cc(C(=O)N5CCCCC5)cc([N+](=O)[O-])c4)cn3)CC2)n1C,OQMPQHXIWWPGNO-UHFFFAOYSA-N
-rxn:4:222055:223568,Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5Cl)c4)CC3)nn2)n1,WQMJYKMKYGEOFT-UHFFFAOYSA-N
-rxn:4:222062:227086,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCC5)c4)cc3)CC2)n1,UTANLLMIIDNFCZ-UHFFFAOYSA-N
-rxn:4:222062:227813,CCc1cccc(CC)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,UMLFOQHBGBINGE-UHFFFAOYSA-N
-rxn:4:222062:227837,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc(C2CC2)c1,VSKDKJZKVZFWAB-UHFFFAOYSA-N
-rxn:4:222062:228230,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)c(Cl)c4)cc3)CC2)n1,XJLZCHWBMKOYML-UHFFFAOYSA-N
-rxn:4:222062:228504,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4CCC5)cc3)CC2)n1,KRWJMMDBVIWQLR-UHFFFAOYSA-N
-rxn:4:222062:228892,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C#N)c4)cc3)CC2)n1,ZPDZVGZYMABKQA-UHFFFAOYSA-N
-rxn:4:222062:228959,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)ccc(F)c4Cl)cc3)CC2)n1,HRSBJCYQZNHZGO-UHFFFAOYSA-N
-rxn:4:222089:222588,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(OCCN6CCC(O)CC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,YLTPDPUFWCYRNE-UHFFFAOYSA-N
-rxn:4:222089:222723,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(NS(=O)(=O)N6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,PVAGSKHMPYTTLS-UHFFFAOYSA-N
-rxn:4:222089:224411,CN(C)S(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(C(F)(F)F)c1,BHSUDYNUSQLEJD-UHFFFAOYSA-N
-rxn:4:222089:225181,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(CN6CCOCC6)c5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,PZVUFPSCJCZOGE-UHFFFAOYSA-N
-rxn:4:222108:224179,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCN(C)CC7)cc6)cc5)no4)C3C2=O)cc1F,XSMDLRIRQAYWHX-UHFFFAOYSA-N
-rxn:4:222120:222903,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)c(Cl)c1,IIMPHRZNHBGMPA-UHFFFAOYSA-N
-rxn:4:222155:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)c2)CC1,KDQYSOFIHMXRAJ-UHFFFAOYSA-N
-rxn:4:222161:223602,Cn1nc(C2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)n(C2CC2)c1=O,INELMCRXUUXEED-UHFFFAOYSA-N
-rxn:4:222166:223835,Cc1cc(F)c(-c2cnc(N3CCN(c4cc(C(C)(C)C)ncn4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,ORFGWUSRMSEHIS-UHFFFAOYSA-N
-rxn:4:222167:224582,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cccc(N5CCN(C6CC6)CC5)c4)cn3)CC2)c1C,SPCJIRWETGVSQC-UHFFFAOYSA-N
-rxn:4:222203:224743,CC(C)(C)OC(=O)c1cc(F)c(-c2cncc(C(=O)N3CCN(c4nccn5nc6c(c45)CCCC6)CC3)c2)c(F)c1,GMSKFYZIMOAWJA-UHFFFAOYSA-N
-rxn:4:222329:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)ccc(F)c2s1,QBRSGQNPUJRWCD-UHFFFAOYSA-N
-rxn:4:222331:222785,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)ccc1F,NKQFOOLREBKNGV-UHFFFAOYSA-N
-rxn:4:222333:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)c1,FIYIJYBZAMLRMY-UHFFFAOYSA-N
-rxn:4:222337:225597,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(OC5CCCCC5)nc4)cn3)CC2)n1,ZYSIQXVJSKOGGA-UHFFFAOYSA-N
-rxn:4:222337:225719,COCCOc1ccc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)cc1OC,ZPWWAOCGECFLNV-UHFFFAOYSA-N
-rxn:4:222338:222988,Cc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)nc2)cc(C2CCNCC2)n1,LOONNFZYWAHDTP-UHFFFAOYSA-N
-rxn:4:222348:223686,Cc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c6)c5)CC4C3)nn12,SMAZXBLEJXXPCR-UHFFFAOYSA-N
-rxn:4:222360:224325,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)cn4)CC3)ncnc21,ACAXZVHGQLEOQL-UHFFFAOYSA-N
-rxn:4:222361:222852,COCCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(CN7CCC(O)CC7)c6)cn5)CC4C3)ncnc21,UNDYHYWMIPNNFL-UHFFFAOYSA-N
-rxn:4:222361:223712,COCCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OC)c(C78CC9CC(CC(C9)C7)C8)c6)cn5)CC4C3)ncnc21,XGIXQDQQSPOCSU-UHFFFAOYSA-N
-rxn:4:222387:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)c(F)cc2C)CC1,NHCCGZYGEFJYAD-UHFFFAOYSA-N
-rxn:4:222389:199539,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,CLJRNSUGAQBFMD-UHFFFAOYSA-N
-rxn:4:222513:178497,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC)c(S(=O)(=O)C23CC(C2)C3)c1,VUUITSOSCQMJCC-UHFFFAOYSA-N
-rxn:4:222600:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc4nc(NC(=O)OC(C)(C)C)sc4c3)c12)(C(C)C)C(C)C,UUTXIJBRVUQIED-UHFFFAOYSA-N
-rxn:4:222611:203835,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2=NN(S(C)(=O)=O)C(c3ccco3)C2)cc1,YKSOVRXNYFGBDL-UHFFFAOYSA-N
-rxn:4:222621:194456,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc(C2CCCNC2)n1,MFKIMEPBKNHCFA-UHFFFAOYSA-N
-rxn:4:222630:176212,CCOC(=O)CC1CCCc2c(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cccc21,ALUBHPMJKMZUAF-UHFFFAOYSA-N
-rxn:4:222633:215907,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)CC1,FFQDPTRPPBKDID-UHFFFAOYSA-N
-rxn:4:222680:204605,COc1c(NC(=O)OC(C)(C)C)cccc1-c1cnc2c(c1)C(C)CN2C(=O)OC(C)(C)C,WJEXVWMKNCAXKB-UHFFFAOYSA-N
-rxn:4:222723:214857,Cn1ccc(C2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,UTTDTSUJVPGWFJ-UHFFFAOYSA-N
-rxn:4:222740:207959,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(C)C)nc(C5CCCNC5)c4)ccc2OC3C2CCCCC2)cc1,UCBMGJFLOUOLNZ-UHFFFAOYSA-N
-rxn:4:222742:187209,COC(=O)C1CCN(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2F)CC1,UEVWKAQXLVZKAP-UHFFFAOYSA-N
-rxn:4:222810:185079,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)cc1,RJDMLBLQDONHKP-UHFFFAOYSA-N
-rxn:4:222810:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)cn1,LQVHVIOBMFSYBW-UHFFFAOYSA-N
-rxn:4:222910:199499,CCCNS(=O)(=O)c1ccc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)c(C)c1,DVKOANASXCEOEX-UHFFFAOYSA-N
-rxn:4:222911:204683,COC(=O)c1cc(NC(C)=O)cc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c1,GDRSEYSAPBYGRG-UHFFFAOYSA-N
-rxn:4:222912:174518,CC(C)CNS(=O)(=O)c1ccc(-c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2F)cc1,ZEIVOJAGCJIERH-UHFFFAOYSA-N
-rxn:4:222981:218867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(NC4CCCCC4)c3)c2)no1,ZBTXUUIZDKHVMJ-UHFFFAOYSA-N
-rxn:4:223520:207373,CC(c1ccc(-c2cnc3[nH]cc(C(=O)C4CC4)c3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,BSLABQIFNLIRAK-UHFFFAOYSA-N
-rxn:4:223670:206696,CC(=O)N1CCOC(c2cccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)n2)C1,LIURMAJDMVWPBO-UHFFFAOYSA-N
-rxn:5:176857:225819:225978,COC(=O)c1cc(OC)c(-c2ccc(N3CCOCC3)nc2F)cc1-c1cc(C(F)(F)F)ccc1C1CC1,FSSBDRFLRNCSQR-UHFFFAOYSA-N
-rxn:5:176860:225982:225784,COC(=O)c1c(-c2cnc(N3CCOCC3)cc2F)ccc(OC)c1-c1ccc(CN2CCOCC2)nc1,PBEQTUCEWXKIMH-UHFFFAOYSA-N
-rxn:5:176861:223018:225507,COC(=O)c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1OC,APBUPMMHJXTUGS-UHFFFAOYSA-N
-rxn:5:177181:222405:223064,CC(C)OC(=O)c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)c(-c2ccc(C3CCNCC3)nc2F)c1,XCDMADODZUBEPJ-UHFFFAOYSA-N
-rxn:5:177185:225976:223063,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cc(F)nc(C2CCNCC2)c1,MRVOOAPRLHVCJC-UHFFFAOYSA-N
-rxn:5:177185:226662:223002,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1ccc(C2CCNCC2)cc1F,QSEWMWDHJQFTHY-UHFFFAOYSA-N
-rxn:5:177185:226662:223008,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1cc(C2CCNCC2)ccc1F,QEHXSRWQDVKFPC-UHFFFAOYSA-N
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-rxn:5:182011:222960:222987,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(C3CCNCC3)nc2C)cc(C2CCNCC2)c1,GPDIVVITNIOUBO-UHFFFAOYSA-N
-rxn:5:182012:225832:225672,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)nc(C3CCCCC3)c2)c(C2CCCOC2)c1,HMIJFCGAVKIRJL-UHFFFAOYSA-N
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-rxn:5:183189:222956:222985,Cc1ccc(-c2cc(-c3ccc(C4CCCNC4)nc3C)cc3c2OC(C)(C)OC3)c(C2CCCNC2)c1,HLHPSVAJIMZGDR-UHFFFAOYSA-N
-rxn:5:183189:222988:223007,Cc1cc(-c2cc(-c3cc(F)cc(C4CCNCC4)c3)cc3c2OC(C)(C)OC3)cc(C2CCNCC2)n1,BUESLJSMMWQBKT-UHFFFAOYSA-N
-rxn:5:183228:223002:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)cc2F)cc2c1OC(C)(C)CC2,VTYSCMJVRWLCFD-UHFFFAOYSA-N
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-rxn:5:189512:225833:225633,O=[N+]([O-])c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1S(=O)(=O)c1cccc(-c2ccc(N3CCCCCC3)nc2)c1,UFHPMPAOWAKBAQ-UHFFFAOYSA-N
-rxn:5:189513:225514:222990,O=[N+]([O-])c1ccc(-c2cccc3c2OCC2(CC2)CO3)cc1S(=O)(=O)c1ccc(-c2ccc(N3CCC(O)CC3)cc2)cc1,WXEMKEHNKXHSAG-UHFFFAOYSA-N
-rxn:5:189538:223018:226059,CC(C)c1ccc(-c2cc(C(=O)N(C)C(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C(C)C)c1,TZGQUVRSQQPGSU-UHFFFAOYSA-N
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-rxn:5:189666:227313:223018,CCC(C)c1cc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(F)cn1,VBNFJCCZAILZHS-WEAAQKFYSA-N
-rxn:5:189671:225831:227277,Cc1cc(-c2cccc(-c3ccc(N(C)C)c(C#N)c3)c2/C=N/S(=O)C(C)(C)C)cnc1N1CCOCC1,XAJKBPDDSVVKLN-FMFFXOCNSA-N
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-rxn:5:189718:227042:223138,CCOc1cc(C)c(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccnc(C3CCNCC3)c2)c(C)c1,KKUDJJTYZGLKJC-UHFFFAOYSA-N
-rxn:5:189826:225873:228135,CCOc1cc(C)ncc1-c1ccc(CC(=O)N2CCOCC2)c(-c2cccc(N3CCOCC3=O)c2)c1,LZECTYMZLUJHAC-UHFFFAOYSA-N
-rxn:5:189909:223295:225631,CN1CCN(c2ccc(-c3ccc(-c4cncc(NS(C)(=O)=O)c4)c(CCN4CCOCC4)c3)cc2)CC1,YAPBPTSTYKQEDA-UHFFFAOYSA-N
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-rxn:5:190001:226366:223288,CNS(=O)(=O)c1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccnc(N3CCCCC3)c2)c1,ABYBKFAEXPEKKU-UHFFFAOYSA-N
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-rxn:5:190195:226395:226794,CN(Cc1ccc(-c2cncc(N3CCCCC3)c2)c(-c2cnc(N3CCSCC3)nc2)c1)C1CCOCC1,PCFUSIACYPBCFU-UHFFFAOYSA-N
-rxn:5:190195:226457:227032,CN(Cc1ccc(-c2ccc(C3CCOC3)c(F)c2)c(-c2cccc(C#N)c2C2CC2)c1)C1CCOCC1,AGCSYIDHRFNNMN-UHFFFAOYSA-N
-rxn:5:190196:222417:223056,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCC(O)CC3)nc2)c1,QWQXXJPNUKGJHR-UHFFFAOYSA-N
-rxn:5:190197:223006:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(F)c(C3CCNCC3)c2)c1,SNPZQSDZNLJOBV-UHFFFAOYSA-N
-rxn:5:190198:228397:225439,COc1cc(-c2cccc(-c3cccc(C(C)N4CCCC4)c3)c2CN(C)C2CCOCC2)cc(F)c1F,YJDQVUPTWDFPNC-UHFFFAOYSA-N
-rxn:5:190199:223006:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(F)c(C2CCNCC2)c1)C1CCOCC1,POPYFIFSLAOABT-UHFFFAOYSA-N
-rxn:5:190199:226164:223295,CN(Cc1cc(-c2cncc(NS(C)(=O)=O)c2)ccc1-c1ccc(N2CCCCC2)cc1)C1CCOCC1,XSBHTQJMXFLAMS-UHFFFAOYSA-N
-rxn:5:190201:223105:228131,CNS(=O)(=O)c1cc(-c2ccc(-c3cc(F)cc(CC#N)c3)c(CCN3CCOC(C)C3)c2)c(F)cc1C,MNYUYWIKRNBWJJ-UHFFFAOYSA-N
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-rxn:5:190231:226679:226664,COc1c(-c2cnc(N3CCCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCC2)ncc1F,MDANTNSUPINPSQ-UHFFFAOYSA-N
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-rxn:5:190231:227960:225590,COc1c(-c2ccc(CN3CCCC3)c(F)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccncc1C1CCC1,QZYYDNBNMYMWKK-UHFFFAOYSA-N
-rxn:5:190307:223010:228694,CCN(C)c1csc(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2CCN2CCC(C)CC2)c1,GSPOVCJUBCHSMX-UHFFFAOYSA-N
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-rxn:5:190336:228320:228499,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(C(F)(F)F)nn3C)c2OC)ccn1,BTFKFDBSCONJPC-UHFFFAOYSA-N
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-rxn:5:190484:226926:228219,Cc1cc(C(C)(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc(C(C)C)cc3F)S(=O)(=O)CC2)c1,ZQHVGSWTCALDAE-UHFFFAOYSA-N
-rxn:5:190740:223064:225633,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,TWFLTNMFXFFPTN-UHFFFAOYSA-N
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-rxn:5:190741:225805:226679,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCOCC4)s3)cc(C)cc2c1-c1cnc(N2CCCC2)cc1F,ZSFMNAHVXPXHQK-UHFFFAOYSA-N
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-rxn:5:190742:225633:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCCC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,XCVSAOTWRXRTDN-UHFFFAOYSA-N
-rxn:5:190742:225881:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1cnc(C2CCNCC2)cc1F,VWTDIWJQBRNVFZ-UHFFFAOYSA-N
-rxn:5:190742:225978:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(CN2CCOCC2)nc1,JROKZRUEUAVXIV-UHFFFAOYSA-N
-rxn:5:190742:225980:225982,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1cnc(N2CCOCC2)cc1F,OTWZUYLLMPBXHX-UHFFFAOYSA-N
-rxn:5:190742:226583:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(N2CCNCC2)cc1F,QEEUDWGRMGHMDS-UHFFFAOYSA-N
-rxn:5:190743:226662:225982,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1cnc(N2CCOCC2)cc1F,QTDNGFWSBUAAMF-UHFFFAOYSA-N
-rxn:5:190833:223018:228591,CC(C)c1cnccc1-c1ccc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c2c1CN(C(=O)OC(C)(C)C)C2=O,SGKQKRPMNNINPY-UHFFFAOYSA-N
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-rxn:5:190833:227769:225927,COc1ncc([N+](=O)[O-])cc1-c1ccc(-c2cc(C(F)(F)F)ccc2N(C)C)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,POSIBMIEPJBVGT-UHFFFAOYSA-N
-rxn:5:190833:227822:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2c(C)cccc2C(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,LTQAVGOHAYSZCZ-UHFFFAOYSA-N
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-rxn:5:192568:225445:225603,N#CC1(c2cccc(-c3ccc(C(=O)N4CCC4)c(-c4ccccc4OC4CCCCC4)c3)c2F)CCC1,WUDNCHISJPYYDQ-UHFFFAOYSA-N
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-rxn:5:193870:227928:223294,CCOc1cc(-c2cc(-c3csc(N4CCNCC4)n3)c(S(=O)(=O)N3CCCCC3)cc2C)ccc1C,DEMNKEMJZYGFNI-UHFFFAOYSA-N
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-rxn:5:193870:228196:225655,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCC(C)CC3)c2)cc1-c1c(C)ncnc1C1CC1,NZMIYVZNLQIGTH-UHFFFAOYSA-N
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-rxn:5:193870:228930:225638,CSc1c(-c2cc(-c3ccc(N4CCC(C)CC4)nc3)c(S(=O)(=O)N3CCCCC3)cc2C)ccnc1F,KXNKTHATSUZEGC-UHFFFAOYSA-N
-rxn:5:193871:223345:226182,O=C1Cc2cccc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3-c3cccnc3C3CCCCC3)c2N1,QFXYOFRLQJFZBL-UHFFFAOYSA-N
-rxn:5:193871:223347:225591,O=C1NCc2c1cccc2-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1cc(CN2CCCC2)ccc1F,LRDUXFLZLCPCGX-UHFFFAOYSA-N
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-rxn:5:193871:225594:225591,O=C(c1ccc(-c2cc(CN3CCCC3)ccc2F)c(-c2ccc(F)cc2CN2CCCC2)c1)N1CCC2(CC1)CC2,HNPKABAIYHAKLN-UHFFFAOYSA-N
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-rxn:5:193871:225656:227207,CC1CCCCN1c1cncc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccc3c2OCCC3=O)c1,OSVABJKUAYWUCJ-UHFFFAOYSA-N
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-rxn:5:193871:225880:227458,CN1CCOc2cc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3cc(C4CCOCC4)ncc3F)cnc21,BKBVRNBLEXOAKD-UHFFFAOYSA-N
-rxn:5:193871:227708:226053,O=C(c1ccc(-c2ccc(F)c(OC(F)(F)F)c2F)c(-c2ccc(OC(F)(F)F)cc2)c1)N1CCC2(CC1)CC2,GUUFQZAOLCEVCV-UHFFFAOYSA-N
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-rxn:5:193967:227802:227938,CCOc1c(C)cccc1-c1cc(-c2c(F)c(F)c(F)c(F)c2F)ccc1CN1CCC2(CC1)OCCO2,XAZNJFNAPBMKNS-UHFFFAOYSA-N
-rxn:5:193972:223384:227093,CNC(=O)c1ccc(-c2cc(C)c(-c3cccnc3C3CCCC3)cc2S(=O)(=O)N2CCCCCC2)cn1,COOAGBOQZDPSCO-UHFFFAOYSA-N
-rxn:5:193972:225470:228890,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,SXKXBXQOPNUNHO-UHFFFAOYSA-N
-rxn:5:193972:225633:228998,CCc1ncccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(N3CCCCCC3)nc2)cc1C,SXMWWOMGOCEVMT-UHFFFAOYSA-N
-rxn:5:193972:225636:229016,Cc1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccsc1C1CC1,VBONRHUKLJDFLY-UHFFFAOYSA-N
-rxn:5:193972:225833:223356,CNC(=O)c1cccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccnc(N4CCCCC4)c3F)cc2C)c1,ZUXXSXHYGNPFMO-UHFFFAOYSA-N
-rxn:5:193972:226176:228079,Cc1cc(-c2ccncc2C2CCCCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc2c1COC2=O,VXACLUMYUYPJAM-UHFFFAOYSA-N
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-rxn:5:193972:226366:227963,Cc1cc(-c2ccnc(N3CCCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C(C)(C)C)c1,OVGXDAMDZDGJLE-UHFFFAOYSA-N
-rxn:5:193972:226663:226364,Cc1cc(-c2ccc(N3CCSCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)nc1,AJZLFSIHLNSGFH-UHFFFAOYSA-N
-rxn:5:193972:227376:227947,Cc1cc(-c2cncc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)cc(C#N)cc1C,PXVMVYRQGZQPPJ-UHFFFAOYSA-N
-rxn:5:193972:228595:226323,CCc1ncc(C)cc1-c1cc(C)c(-c2ccc(OC3CCCC3)nc2)cc1S(=O)(=O)N1CCCCCC1,FRKKUHGGIMDPIT-UHFFFAOYSA-N
-rxn:5:193972:228631:226679,Cc1cc(-c2ccsc2C2CCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N2CCCC2)cc1F,RNIHEKZZPVFMQW-UHFFFAOYSA-N
-rxn:5:193972:228686:226658,CCOc1cc(-c2cc(C)c(-c3ccc(N4CCCC4)nc3F)cc2S(=O)(=O)N2CCCCCC2)ccn1,ZNKLYEJJFWBKNJ-UHFFFAOYSA-N
-rxn:5:193972:228686:226664,CCOc1cc(-c2cc(C)c(-c3cc(N4CCCC4)ncc3F)cc2S(=O)(=O)N2CCCCCC2)ccn1,NRFBXBDMMYNMQC-UHFFFAOYSA-N
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-rxn:5:193972:228993:225656,Cc1cc(-c2ccc(C#N)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2C)c1,GCNDASXGFUYLPQ-UHFFFAOYSA-N
-rxn:5:193972:228996:222959,CCc1cc(-c2cc(C)c(-c3ccc(C4CCNCC4)c(C)c3)cc2S(=O)(=O)N2CCCCCC2)ccn1,RRNQCHFVARUYCW-UHFFFAOYSA-N
-rxn:5:193972:229051:225597,CCCn1cc(-c2cc(C)c(-c3ccc(OC4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)cn1,OKNQTBZWJBGJBY-UHFFFAOYSA-N
-rxn:5:193972:229107:225466,Cc1cc(-c2c(C)cncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2C)cc1,WIQMWCBBIABRBN-UHFFFAOYSA-N
-rxn:5:194058:222984:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCC(O)C3)cc2)s1)N1CCCCC1,TUFDOXBVJXBIII-UHFFFAOYSA-M
-rxn:5:194058:225462:225805,CC1CCN(c2cccc(-c3cc4c(OS(=O)(=O)[O-])c[nH]c4cc3-c3ccc(C(C)N4CCOCC4)s3)c2)CC1,JLWPOXGRIHIRKL-UHFFFAOYSA-M
-rxn:5:194058:225583:225607,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cccc(C(=O)N3CCCC3)c2)s1)N1CCCCC1,UGLCDFMHSIAQJW-UHFFFAOYSA-M
-rxn:5:194058:225607:225583,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cccc(C(=O)N3CCCC3)c2)s1)N1CCCCC1,IIWVSSAFLYUSEC-UHFFFAOYSA-M
-rxn:5:194397:223062:227317,CC(C)(C)Oc1cc(-c2ccc(C(=O)N3CC4CC4C3)c(-c3cnc(C4CCNCC4)cc3F)c2)ccn1,LIUBMXFGLRZRJN-UHFFFAOYSA-N
-rxn:5:194733:223424:227278,N#CC1(c2ccc(-c3ccc(-c4ccc(C=NO)cc4)cc3C(=O)N3C4CCC3CC(=C3CC3)C4)cn2)CC1,VHHMDOMWFSTDMS-UHFFFAOYSA-N
-rxn:5:194733:225978:228792,CSc1ccc(-c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1F,LXOJXCIUJGWJSL-UHFFFAOYSA-N
-rxn:5:194767:225976:227316,CC(C)Cc1cc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(F)n1,CMKSZZIYPNMQSR-UHFFFAOYSA-N
-rxn:5:194767:226794:227337,CC(C)Oc1ccc(F)cc1-c1ccc(-c2cnc(N3CCSCC3)nc2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,JLXZSKVJWANOEB-UHFFFAOYSA-N
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-rxn:5:194791:226466:227722,CN1C(=O)COc2cc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6cccc(SC(F)(F)F)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)ccc21,VGSATCVDRZSUHG-UHFFFAOYSA-N
-rxn:5:194792:222417:225652,CC1CCCN(c2cncc(-c3ccc(N4C(=O)C5C(c6ccc(-c7cnc(=O)[nH]c7C(C)C)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)c2)C1,BASXRYVXJZYOKY-UHFFFAOYSA-N
-rxn:5:194792:229283:225584,O=C(c1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccncc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1)N1CCCC1,MHCSFCBJWYCOKN-UHFFFAOYSA-N
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-rxn:5:196198:226658:225926,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCC3)nc2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,AJDUBYFFDVCNHX-UHFFFAOYSA-N
-rxn:5:196620:225986:225634,Cc1cc(-c2ccc(N3CCCC3=O)c(-c3ccccc3N3CCCS3(=O)=O)c2)cnc1N1CCCCC1,RXZXHWMCHWVXDL-UHFFFAOYSA-N
-rxn:5:196791:223065:225805,CC(c1ccc(-c2c(-c3ccc(N4CCNCC4)cc3F)cccc2N2CCOCC2=O)s1)N1CCOCC1,MDGYVVJTUWPWNP-UHFFFAOYSA-N
-rxn:5:196791:223190:225632,CNS(=O)(=O)c1ccc(F)cc1-c1cccc(N2CCOCC2=O)c1-c1cccc(N2CCN(C)CC2)c1,XOZYIFUUKAGGMR-UHFFFAOYSA-N
-rxn:5:196791:225834:226366,O=C1COCCN1c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1ccnc(N2CCCCC2)c1,SXEHNWQSGVANNM-UHFFFAOYSA-N
-rxn:5:196858:222959:223062,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cnc(C3CCNCC3)cc2F)ccc1C1CCNCC1,RZSIKOXELWERJW-UHFFFAOYSA-N
-rxn:5:196858:223063:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cc(F)nc(C2CCNCC2)c1,LEOOAVMQIXJRHK-UHFFFAOYSA-N
-rxn:5:196859:225832:226174,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccc(C2CCCCC2)nc1,IBKZZCUJLZXQDX-UHFFFAOYSA-N
-rxn:5:196859:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccnn1C1CCCCO1,YDQQKVQFECAIGK-UHFFFAOYSA-N
-rxn:5:196916:225986:225455,Cc1ccc(N2CCCCC2)cc1-c1ccc(N2CCCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,NHSZOQNAYVCNEW-UHFFFAOYSA-N
-rxn:5:196916:225986:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(N2CCCCC2=O)c(-c2ccccc2N2CCCS2(=O)=O)c1,XIROIPHYVRJDQG-UHFFFAOYSA-N
-rxn:5:196969:222988:225880,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2cc(C3CCOCC3)ncc2F)cc(C2CCNCC2)n1,ICVHCJZVFYCHDT-UHFFFAOYSA-N
-rxn:5:196969:225671:222988,Cc1cc(-c2cc(C3CCCCC3)ncc2-c2cc(C3CCCCC3)ncc2F)cc(C2CCNCC2)n1,WLTHBEOJDAMAOD-UHFFFAOYSA-N
-rxn:5:196970:225514:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCCCC2)c1-c1cccc2c1OCC1(CC1)CO2,LYBHKUIKIIUHDQ-UHFFFAOYSA-N
-rxn:5:196970:225832:226064,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccc(C2CCCCC2)cc1,QDHBUDOAMPLIQD-UHFFFAOYSA-N
-rxn:5:196971:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCNC3)nc2)ncc1C1CCCCC1,JPZHTFWVIMFYEV-UHFFFAOYSA-N
-rxn:5:196977:225832:226685,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1-c1cnc(C2CCOCC2)nc1,IWVHJKYGSNBZTN-UHFFFAOYSA-N
-rxn:5:196978:225832:223136,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2ccncc2C2CCCNC2)c1,BMZIFVSCEMJKSU-UHFFFAOYSA-N
-rxn:5:196978:225985:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1N1CCCCC1,WWDICDZNNPDVFX-UHFFFAOYSA-N
-rxn:5:196978:227610:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccn(C3CCCCO3)n2)ccc1N1CCCCC1,RYEDZPBHQRERBP-UHFFFAOYSA-N
-rxn:5:225683:181906:225394,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,YHHDLFILIHJNRZ-UHFFFAOYSA-N
-rxn:5:225683:181908:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,PWKWIJAUWBPKBQ-UHFFFAOYSA-N
-rxn:5:225684:181908:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCNCC2)c1,PUICDXDLWMPQRM-UHFFFAOYSA-N
-rxn:5:225831:181908:223061,Cc1cc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2cc(C3CCNCC3)ncc2F)cc1C1OCCO1,NWQWFJLQOKQALS-UHFFFAOYSA-N
-rxn:5:225832:192082:222998,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(OC2COC2)c(-c2cc(F)cc(C3CCCNC3)c2)c1,MYUKZZOYUXMTGS-UHFFFAOYSA-N
-rxn:5:225832:196408:226139,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CC3)cnc2C2CC2)ccc1C1=NOCCO1,XGFGWTMXIIESCU-UHFFFAOYSA-N
-rxn:5:225832:196667:222959,Cc1cc(-c2nccc(C3CCCC3)c2-c2c(C)nn(C3CCCCO3)c2C)ccc1C1CCNCC1,TZGYQCYLIKNNAN-UHFFFAOYSA-N
-rxn:5:225832:196677:225407,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(N2CCCC2)c1,IQMWSSXVHGYMKS-UHFFFAOYSA-N
-rxn:5:225832:196978:223142,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2ccc(C3CCCNC3)nc2)c1,BISTXZOVPKNLDC-UHFFFAOYSA-N
-rxn:5:225832:196979:226139,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CC3)cnc2C2CC2)cc(N2CCCCC2)c1,XQUDADBIHFTCGK-UHFFFAOYSA-N
-rxn:5:225833:196198:225926,O=C1C=CC(=O)N1c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,JPABCWCQKRXVRX-UHFFFAOYSA-N
-rxn:5:225849:193228:227710,CS(=O)(=O)Oc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-c3cnc(N4CCCCC4)cc3F)c2)cc1,YGIPOINCSDRZCU-UHFFFAOYSA-N
-rxn:5:225871:178313:226920,Cc1ccc(C(C)(C)C)cc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,VPNWEYGMMKXBAM-UHFFFAOYSA-N
-rxn:5:225871:178315:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc(N3C(=O)C=CC3=O)c2)c1,HRJYSFCZGVTYOH-UHFFFAOYSA-N
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-rxn:5:227094:180421:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cnccc1C1CCCC1,AKSUFSRUOLNLLE-UHFFFAOYSA-N
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-rxn:5:227387:193460:225985,O=C(c1cccc(-c2ccnc(N3CCCC3)c2)c1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCCC1,HBUQZYIIJBMJMC-UHFFFAOYSA-N
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-rxn:5:227574:193462:225593,COc1c(F)ccc(-c2ccc(-c3cc(F)cc(CN4CCCC4)c3)c(CN3CCC(=O)CC3)c2)c1OC,DSZZTPUMHMNLMJ-UHFFFAOYSA-N
-rxn:5:227592:178225:225674,COc1cc(F)cc(-c2cccc(OCC3CCCCC3)c2-c2cnc(C3CCCCC3)cc2F)c1OC,FRTOJKYYHAJQQC-UHFFFAOYSA-N
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-rxn:5:227821:178295:227102,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,XMKOKRBXIFDENO-UHFFFAOYSA-N
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-rxn:5:227833:178295:226769,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(=O)OC)cc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,GZSCSJITWHVCPR-UHFFFAOYSA-N
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-rxn:5:227875:178295:227069,COC(=O)C1(c2cc(-c3ccc(OC)cc3C(C)C)ccc2-c2cccc3c2CCCO3)CCC(=O)CC1,CVJKAIHHIKSGRC-UHFFFAOYSA-N
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-rxn:5:227926:178295:223189,COC(=O)C1(c2cc(-c3ccc(NS(C)(=O)=O)cc3F)ccc2-c2ccc(SC(C)C)cc2)CCC(=O)CC1,RMGMDMMOYMJHMZ-UHFFFAOYSA-N
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-rxn:5:227935:178295:227330,CCc1cc(-c2ccc(-c3ccc(C(=O)OC)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,OPKFQWCEMAJGJL-UHFFFAOYSA-N
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-rxn:5:228020:193506:226645,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C3CC3)cc2-c2ccnc(N3CCOCC3)c2)CC1,SHKIDEFKMOWWPE-UHFFFAOYSA-N
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-rxn:5:228148:190194:225679,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(N3CCCCC3)cc2F)c1OC,AGWCFUXTOOBRRF-UHFFFAOYSA-N
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-rxn:5:228721:178295:227050,COC(=O)C1(c2cc(-c3ccc(OC(C)C)c(C)c3)ccc2-c2ccnn2C(C)(C)C)CCC(=O)CC1,IVCGECXMSBOPDR-UHFFFAOYSA-N
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-rxn:5:228890:193869:225470,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCC(C)CC2)cc1,RZGXLWFRBWVCGG-UHFFFAOYSA-N
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-rxn:5:228890:193972:225462,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(N2CCC(C)CC2)c1,HSFRHSGGZOUORP-UHFFFAOYSA-N
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-rxn:4:173631:223489,CCOC(=O)c1c(C)oc2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c(OCc3cccc(F)c3)cc12,JADKGCOGYBTQNB-UHFFFAOYSA-N
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-rxn:4:173657:225752,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(C(=O)OC)cnc1C(C)C)C2=O,BVLPTHCQRYRTFN-UHFFFAOYSA-N
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-rxn:4:173782:222708,COC(=O)c1ccc(-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)cc1OCC(F)(F)F,IAHSODGWQKOCLY-UHFFFAOYSA-N
-rxn:4:173800:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cccc(OCC(F)(F)C(F)(F)C(F)(F)F)c3)cc21,JCIHSCUZSXKSOL-UHFFFAOYSA-N
-rxn:4:173978:223559,CCOCc1cc(C(=O)OC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,XQBYJNLZBQKJFX-UHFFFAOYSA-N
-rxn:4:174075:223976,O=C(CC(=O)c1ccc(F)c(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)c1)CC1CC1,OPMZHSAYFGWMFD-UHFFFAOYSA-N
-rxn:4:174378:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1OCCC1OCCCO1,MEFOKNNNTWGDKB-UHFFFAOYSA-N
-rxn:4:174488:225737,CCCCOc1c(F)ccc(-c2ccc(C(=CC3CCCCC3)C(=O)OCC)cc2)c1F,GDZSHIFTFPKUDL-UHFFFAOYSA-N
-rxn:4:174522:223885,CC(C)[Si](C#Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1)(C(C)C)C(C)C,FSFMPXLBDWXBGI-UHFFFAOYSA-N
-rxn:4:174568:224425,CCCC1CCC(c2ccccc2-c2cc3oc(C)c(C(=O)OC)c3cc2OC(=O)C(C)C)CC1,AIQHURPVQQJRIP-UHFFFAOYSA-N
-rxn:4:174575:222778,COC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cncc(CNC(=O)OC(C)(C)C)c1)C2=O,SDOPZPXWPMKGFT-UHFFFAOYSA-N
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-rxn:4:174654:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)COc2ccc3c(c2)OC(=CC2=Cc4ccccc4OC2)C3=O)cc1,HMILQBWSJSXVSJ-UHFFFAOYSA-N
-rxn:4:174663:223136,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccncc2C2CCCNC2)cc1,KKTHGOBOVPVJAP-MLXRUBRLSA-N
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-rxn:4:175220:223659,CCC(C(=O)OC)c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,MAVZQGDBHMEIMM-UHFFFAOYSA-N
-rxn:4:175421:223813,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1OCC1OCCO1,FCQXWNLJFKBHGZ-UHFFFAOYSA-N
-rxn:4:175492:222447,COC(=O)C(c1ccc(-c2c(OC)ccc3c2N=C(NC(=O)OC(C)(C)C)C3)cc1)C(C)C,KNYXCYMHNAAKTM-UHFFFAOYSA-N
-rxn:4:175605:224306,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1,UQHLQSWXGWQBPT-UHFFFAOYSA-N
-rxn:4:175703:223889,COC(=O)CC1CC(c2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc2)C1,PQCGQWAITQZHLQ-UHFFFAOYSA-N
-rxn:4:175732:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc(F)cc(OCCC4OCCCO4)c3)cn2)C1,QNFLTZZGUHGFHM-UHFFFAOYSA-N
-rxn:4:175819:224327,CCOc1c(OC)cc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cc1C1OCCO1,FPAZEYWZPAVJGZ-UHFFFAOYSA-N
-rxn:4:175849:223559,COC(=O)c1cc(-c2ccc(OC)cc2)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QZKRESXPQNZGMS-UHFFFAOYSA-N
-rxn:4:175917:224960,COC(=O)c1cc(-c2ccc(OC)c(OC3CCCC3)c2)c(OC2CCCCO2)cc1F,HFWAJHCYZYLNJW-UHFFFAOYSA-N
-rxn:4:175940:224742,C#Cc1cc(F)c(OCC2CCCCC2)c(-c2cc(C3OCCO3)c(OC)cc2OC)c1,WLVFJVFACZNYHG-UHFFFAOYSA-N
-rxn:4:176018:224617,COc1cc(-c2ccc(OCCN3CCCC3)c(Cl)c2)c(F)cc1OCC1CCCCC1,QEGXEBCLCBJZJZ-UHFFFAOYSA-N
-rxn:4:176018:224670,COc1cc(-c2cc(CN3CCN(C)CC3)ccc2F)c(F)cc1OCC1CCCCC1,SVTNOHHGUDGIJX-UHFFFAOYSA-N
-rxn:4:176050:225231,COc1cc(C2OCCCO2)c(-c2cnc(Cl)c(N3CCCCC3C)c2)c(OC)c1OC,AIIVYPNVSZGIDC-UHFFFAOYSA-N
-rxn:4:176158:224192,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)ccc3CN3CCN(CC)CC3)cc2)CC1,ITOAMSCHTRDMGU-RQNOJGIXSA-N
-rxn:4:176204:223712,CCOC(=O)C1=Cc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc(OC)c2OC1,IARMELILTVEMHD-UHFFFAOYSA-N
-rxn:4:176287:224247,CC1CCN(C(=O)c2ccc(-c3ccccc3C=C3Oc4cc(OS(=O)(=O)c5ccc(F)cc5)ccc4C3=O)c(F)c2)CC1,JFKVZYHNJJTVPG-UHFFFAOYSA-N
-rxn:4:176322:228150,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C(=O)OC)cc2)C(C)(C)CC1(CC)CC,TWXOMYBSPXPXEI-UHFFFAOYSA-N
-rxn:4:176423:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cc(OC(F)(F)F)ccc2C(F)F)cc1,IYWJXBWCIRSDGL-UHFFFAOYSA-N
-rxn:4:177403:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(OC(F)(F)F)cc(C4OCCO4)c3)cc2C1,FZARMKCYRNHCAD-UHFFFAOYSA-N
-rxn:4:177657:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(OCc4cccc(F)c4F)cc3Cl)c(F)c2)CC1,DVOYKEBUXTZZHM-UHFFFAOYSA-N
-rxn:4:177706:223559,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C2CC2)cc1OC,HBUZWFXJOQTAEI-UHFFFAOYSA-N
-rxn:4:178180:222465,COc1c(OC2CCCCO2)cccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,GYWUIILJEZUNRY-UHFFFAOYSA-N
-rxn:4:178217:223812,COc1cc(C(C)(C)C)cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1OC,XYKDIQXYVMPINF-UHFFFAOYSA-N
-rxn:4:178219:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(OCC4CCCCC4)c3)ccc2C)CC1,GVXVASBWPXZEAO-UHFFFAOYSA-N
-rxn:4:178384:224457,Cc1ccccc1COc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZMRVTVAJUZVYIK-UHFFFAOYSA-N
-rxn:4:178384:227208,Cc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)sc2ccc(Cl)cc12,WNPTVJNVRVLRDN-UHFFFAOYSA-N
-rxn:4:178384:227938,CCOc1c(C)cccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,QCBDIGWLIMUUDL-UHFFFAOYSA-N
-rxn:4:178384:228280,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)cc1Cl,IZHYGTLPJDZAKY-UHFFFAOYSA-N
-rxn:4:178384:229241,Cc1c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnn1C,PGNDPIQWSROUNU-UHFFFAOYSA-N
-rxn:4:178597:225858,Cc1cnn(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c(F)c2)c1,DYVGCNRZAZLABH-UHFFFAOYSA-N
-rxn:4:179044:223534,Cc1cccc(OC(F)F)c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,RIFRKPQAJGSHKO-UHFFFAOYSA-N
-rxn:4:179090:223541,Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1OC(F)(F)F,OUBJGODMCHECIH-UHFFFAOYSA-N
-rxn:4:180028:223659,COc1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(F)c1C1OCCO1,VYJRUTLRUJQMDL-UHFFFAOYSA-N
-rxn:4:180262:223559,CSc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,AQEZRNNIYQYFJB-UHFFFAOYSA-N
-rxn:4:180346:223505,CC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c([Si](C)(C)C)c(F)c1F,DCMDFINSPVUQPF-UHFFFAOYSA-N
-rxn:4:180423:222465,Fc1cc(CC2CCCCC2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,FEUQRSMBHYOPIG-UHFFFAOYSA-N
-rxn:4:180675:223597,COC(=O)c1cc2c(cc1-c1ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c1)CCC2,KKMMZKXMMFXIIY-UHFFFAOYSA-N
-rxn:4:180766:223559,COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc3c(c1)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)C2=O,VDNFPMMTPPPQIE-UHFFFAOYSA-N
-rxn:4:180815:222888,COc1ccc(-c2ccc(CN3CCNCC3)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,JIWVDDVYXFLSTM-UHFFFAOYSA-N
-rxn:4:182229:222612,O=C1CCOc2c(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)ccc(C(F)(F)F)c21,FGGGRKPEXRUNIP-UHFFFAOYSA-N
-rxn:4:182352:223873,COc1cc2c(cc1-c1ccccc1CCC(=O)N1CCC(C)CC1)CCC(=O)C2(C)C,UIRVVOBQXUCBRB-UHFFFAOYSA-N
-rxn:4:182359:223754,COC1CCC2(CC1)Oc1ccc(-c3ccc(OCCCN4CCC(C)CC4)c(Cl)c3)cc1C2=O,PWPDIRYLLXGBHW-UHFFFAOYSA-N
-rxn:4:182372:224162,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc1C2=O,OMTJRMRKTTUQRM-RSIILCRJSA-N
-rxn:4:182372:224351,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)cc1C2=O,OXCKBUJSOIUVAN-MWNIQPBXSA-N
-rxn:4:182374:222638,CC(=O)c1cc2c(cc1-c1cccc(C(C)NC(=O)OC(C)(C)C)c1)C(C)(C)CCC2(C)C,ICLSCTSBDARSIA-UHFFFAOYSA-N
-rxn:4:182374:223774,COc1cccc2c1cc(-c1cc3c(cc1C(C)=O)C(C)(C)CCC3(C)C)n2C(=O)OC(C)(C)C,FWOSTHUDJHVCAJ-UHFFFAOYSA-N
-rxn:4:182759:223542,CN1CCN(S(=O)(=O)c2cc(-c3cccc4c3S(=O)(=O)C=C4)ccc2OC(F)(F)F)CC1,KSCGYBXQZSOCCV-UHFFFAOYSA-N
-rxn:4:183272:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,FVXJJJYMPLQIJC-UHFFFAOYSA-N
-rxn:4:183274:227639,Cc1nn(-c2cccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,UOEDIDTWAKRZQS-UHFFFAOYSA-N
-rxn:4:183379:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cc1,DWILCHUBAIBESM-INIZCTEOSA-N
-rxn:4:183646:224137,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1,PTBYRBVFQQSWKX-UHFFFAOYSA-N
-rxn:4:183740:224405,CCCCOc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCCC1,XNZTZJFDPHQBBJ-UHFFFAOYSA-N
-rxn:4:183750:222730,CCCc1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCOCC2)cc(C2CCNCC2)n1,VAPKVTONJYFPHB-UHFFFAOYSA-N
-rxn:4:183769:227747,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(Cl)cc1C(F)(F)F)N1CCCCC1,NNYNNPSYIUVZIE-UHFFFAOYSA-N
-rxn:4:183794:223887,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2c(C)c3ccccc3n2C(=O)OC(C)(C)C)c1,UYICUSLMHKXCPU-UHFFFAOYSA-N
-rxn:4:183864:222446,COC(=O)CN1CCCC(COc2cccc(-c3cc(C(=O)NCc4ccc(OC)cc4)ccc3F)c2)C1,CHBCOYRNIAYMEC-UHFFFAOYSA-N
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-rxn:4:183865:224586,COC(=O)CN1CCCC(COc2ccccc2-c2cc(F)ccc2CN2CCC(C)CC2)C1,TZDRHHBRCGKVJZ-UHFFFAOYSA-N
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-rxn:4:183984:223074,Cc1cc(-c2cccc(NS(=O)(=O)C3CC3)c2)ccc1CN(C(=O)OC(C)(C)C)C(C)C,WUOAOXVJLVZSPP-UHFFFAOYSA-N
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-rxn:4:184808:223493,CCCCN(C)Cc1ccccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,GEOQYRUDTCYZLQ-UHFFFAOYSA-N
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-rxn:4:185131:225123,COc1ccc(-c2ccncc2OCC2CCCCO2)cc1S(=O)(=O)N(C(C)C)C(C)C,YQLXYVLSBANKLP-UHFFFAOYSA-N
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-rxn:4:185145:223141,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cncc(C4CCNCC4)c3)cc2)C1,NTIBCNMSCAMFKA-UHFFFAOYSA-N
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-rxn:4:185198:225192,COC(=O)c1cc(-c2cc(OC3CCCCC3)ncc2F)ccc1CN1CCC(OC)CC1,QOLCOLKXVBVESH-UHFFFAOYSA-N
-rxn:4:185198:225590,COC(=O)c1cc(-c2ccc(CN3CCCC3)c(F)c2)ccc1CN1CCC(OC)CC1,KTAMFAYKXOXVRQ-UHFFFAOYSA-N
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-rxn:4:185212:223167,CC(C)(C)OC(=O)N1C(Cc2ccc(-c3ccnc(N4CCNCC4)c3)cc2)COS1(=O)=O,YVWRFVSYPZRTOI-UHFFFAOYSA-N
-rxn:4:185261:225755,CCN(C(=O)c1cc(OC)ccc1-c1cc(C(=O)OC)nc(C2CC2)c1)C1CCCCC1,XWJOPCIJGDKOHM-UHFFFAOYSA-N
-rxn:4:185278:222442,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,JONZFZOOLSNCBX-UHFFFAOYSA-N
-rxn:4:185304:225757,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(C(=O)OC)nc(C(C)C)c2)c(OC)c1,BFJZZFPZYQQEKY-UHFFFAOYSA-N
-rxn:4:185340:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(OCc2ccccc2)c(C(=O)N2CCC(F)(F)CC2)c1,SBQAWPUZNSNMGY-UHFFFAOYSA-N
-rxn:4:185376:223242,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccnc(C3CCNC3)c2)C1,PANNFAHQQJXFMH-UHFFFAOYSA-N
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-rxn:4:185382:227481,COC(OC)c1cnccc1-c1ccc(C(F)(F)F)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1,DZRURNUAPAQUGY-UHFFFAOYSA-N
-rxn:4:185389:222632,Cc1ccc(C(=O)N(Cc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)C2CCS(=O)(=O)C2)cc1,NPNUPEYCMFOEPS-UHFFFAOYSA-N
-rxn:4:185407:228340,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1sc(C2CC2)nc1OC,WXMFZERCTZCHHY-UHFFFAOYSA-N
-rxn:4:185415:222604,COc1ccc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc1S(=O)(=O)NC1CCCC1,OWAPYYKHMKAMOD-UHFFFAOYSA-N
-rxn:4:185534:227002,CCCOc1ccc(-c2ccc3c(c2)C(C(=O)OC)CN(C(=O)OC(C)(C)C)C3)c(C)c1,SHVGKGDHPQBMDS-UHFFFAOYSA-N
-rxn:4:185535:227377,COC(=O)[C@@H]1Cc2ccc(-c3cncnc3C3CCCC3)cc2CN1C(=O)OC(C)(C)C,TXZROSVOGNWWGE-NRFANRHFSA-N
-rxn:4:185535:227497,COC(=O)[C@@H]1Cc2ccc(-c3cnc(OC(C)C)nc3C)cc2CN1C(=O)OC(C)(C)C,VIKABBNYMRIHDA-FQEVSTJZSA-N
-rxn:4:185545:224853,CC1(C)CCC(c2ccc(-c3ccc4cc(OC5CN(C(=O)OC(C)(C)C)C5)ccc4c3)cc2)CC1,VORRLVZZCGGCFN-UHFFFAOYSA-N
-rxn:4:185591:224304,COC(=O)C1=Cc2cc(-c3c(F)ccc(O[Si](C)(C)C(C)(C)C)c3Cl)ccc2N(Cc2ccc(OC)cc2)CCC1,NZDWZSDACQJGLE-UHFFFAOYSA-N
-rxn:4:185613:227506,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,AZEQRXUQLGBGCQ-DTQAZKPQSA-N
-rxn:4:185864:223599,COC(=O)c1cc(C#N)c(C(F)F)cc1-c1cc2cc(C(F)(F)F)ccc2n1C(=O)OC(C)(C)C,KJHVPZZKAQDITJ-UHFFFAOYSA-N
-rxn:4:185913:223588,COC(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(C(F)(F)F)c1C#N,CECVMYHCSIHMFD-UHFFFAOYSA-N
-rxn:4:186161:223784,CCN1CCN(CCOc2ccc(-c3ccc([N+](=O)[O-])cc3C(OC)OC)cc2F)CC1,BFLDXALJOBKNPB-UHFFFAOYSA-N
-rxn:4:186178:223842,COC(=O)Cc1cc(C)c(C#N)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c1,MASURTUIWDJTLP-UHFFFAOYSA-N
-rxn:4:186352:223583,COC(=O)c1ccc2c(-c3ccc(CN(C)C)c(OC(F)(F)F)c3)cn(C(=O)OC(C)(C)C)c2c1,HBZZVNLPWGBYOZ-UHFFFAOYSA-N
-rxn:4:186670:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(OCC[Si](C)(C)C)nc3)c2)C1,RZRMOWPQOGDJCE-UHFFFAOYSA-N
-rxn:4:186680:222539,Cc1cc([N+](=O)[O-])c(OCC(C)C)cc1-c1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2,KOVAORHNSRLSHH-UHFFFAOYSA-N
-rxn:4:186722:224649,COc1ccc(-c2cc(F)ccc2OCC2CCCCO2)c(C(=O)N2CC(C(F)F)C2)c1,JIZYXSMVPUARRP-UHFFFAOYSA-N
-rxn:4:186750:224277,CC(C)(C)OC(=O)n1ccc2c(-c3cc(OC(F)F)cc(C(=O)N4CCC(F)(F)C4)c3)ccnc21,MMMUNMZYTVKBMK-UHFFFAOYSA-N
-rxn:4:186990:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)c1,NILHILJSMSMEDB-UHFFFAOYSA-N
-rxn:4:187012:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(=O)N2CCCCC2)cc1OC(F)(F)F,BQIHXFXLKBKYRG-UHFFFAOYSA-N
-rxn:4:187093:226545,CCCOc1c(Cl)ccc(-c2ccc(S(=O)(=O)N3CCCCC3)c(OC(F)(F)F)c2)c1F,UGPJMGYCUHOGDL-UHFFFAOYSA-N
-rxn:4:187153:224619,O=C(CS(=O)(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(F)c2)cc1)N1CCCC(F)(F)C1,SXQZKOGOTAJRFC-UHFFFAOYSA-N
-rxn:4:187185:224670,COC(=O)C1(C)CCN(Cc2ccc(-c3cc(CN4CCN(C)CC4)ccc3F)cc2)C1,ITJXHQVYUUPLTE-UHFFFAOYSA-N
-rxn:4:187191:224734,CCCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(C(F)(F)F)cc2OCC2CC2)cc1,AKMHQKZTGNLWMM-UHFFFAOYSA-N
-rxn:4:187216:224659,COC(=O)c1cc(CN2CCC(F)CC2)cc(-c2cccc(C(=O)N3CCN(C)CC3)c2)c1,SDOJVJNTHLRTTM-UHFFFAOYSA-N
-rxn:4:187230:222856,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCNCC3)ccc2OC)CC1,XTAFHACBVQGCHW-UHFFFAOYSA-N
-rxn:4:187277:224022,COc1nc(C)c(CC2CC2)c(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C(C)C,PWWDJNCVAOLGAL-UHFFFAOYSA-N
-rxn:4:187299:222635,Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1-c1cccc([C@H](C)NC(=O)OC(C)(C)C)c1,JLRXNCGUVGKDDH-FQEVSTJZSA-N
-rxn:4:187305:224690,COC1CCN(CCc2ccc(F)c(-c3ccc(CN4CCC(=O)CC4)cc3F)c2)CC1,IYOMDERCTYCOQV-UHFFFAOYSA-N
-rxn:4:187317:222852,COc1ccc(-c2cccc(CN3CCC(O)CC3)c2)c(OC)c1C(=O)N1CCCCC1,XGTGXTWTUNBOKT-UHFFFAOYSA-N
-rxn:4:187352:222648,Cc1cc(C)c(-c2cnc([Si](C(C)C)(C(C)C)C(C)C)s2)cc1NC(=O)OC(C)(C)C,ABSYOUCHOYFNKV-UHFFFAOYSA-N
-rxn:4:187353:223888,CC(C)[Si](c1nc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)co1)(C(C)C)C(C)C,AANONHNGYDRFNQ-UHFFFAOYSA-N
-rxn:4:187357:222538,COc1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc(OC)c1CN1CCCCC1,DZPQOVLDHUJAEN-UHFFFAOYSA-N
-rxn:4:187358:222783,CC(C)Oc1ccc(CN2CCOCC2)cc1-c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1,QCEDIYCMEBSAFA-UHFFFAOYSA-N
-rxn:4:187369:224502,CCN(C(=O)c1ccc(Cl)c(-c2cccc(OCC3CCCCN3C)c2)c1)C1CCCCC1,RHOBVTPHRMCHRE-UHFFFAOYSA-N
-rxn:4:187405:222651,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1cc(C(=O)NC2CCCCC2)ccc1F,MIEQFWFHPOVTEK-UHFFFAOYSA-N
-rxn:4:187500:225174,COc1cc(-c2ccc(F)cc2CN2CCOCC2)cc(OC)c1C(=O)N1CCCCC1C,RALMZAZUPZJDSY-UHFFFAOYSA-N
-rxn:4:187505:226555,CCCOc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(Cl)c2)c(F)cc1F,RCHHLNPUBVSNKU-UHFFFAOYSA-N
-rxn:4:187566:224162,Cc1ccc(S(=O)(=O)N(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2)C2C=CS(=O)(=O)C2)cc1,BBKPHZKTLILBBM-UHFFFAOYSA-N
-rxn:4:187576:224403,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(N3CCOCC3)c(C(F)(F)F)c2)C1,HJDITWNXJFUEBI-UHFFFAOYSA-N
-rxn:4:187644:225196,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(OC)cc1-c1cc(Cl)c(F)c(OC2CCCC2)c1,FRJLZINCNNFNFU-UHFFFAOYSA-N
-rxn:4:187648:224355,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc2)C1=O,OMXNVKUPZXENNP-UHFFFAOYSA-N
-rxn:4:187667:223575,Cc1c(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,FAOAUZPKUOPSKQ-UHFFFAOYSA-N
-rxn:4:187669:222835,CC(C)CC(=O)NCc1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1,SGYLAMLQMNFMQM-UHFFFAOYSA-N
-rxn:4:187690:223699,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c(F)c1,QMODUAGEONEJMB-UHFFFAOYSA-N
-rxn:4:187693:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)c(F)c2)CC1,UUEBLJREBDVEQD-UHFFFAOYSA-N
-rxn:4:187693:226023,O=C(c1ccc(-c2ccc(Cl)c(OCC(F)F)c2F)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,HSGYFEMMUDQEFU-UHFFFAOYSA-N
-rxn:4:187810:223814,COC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc2c1CCN2CC1CC1,UXKHVIYDLDIEKB-UHFFFAOYSA-N
-rxn:4:187824:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)cc2)CC1,IPNIIGYYFZTFSJ-YHBQERECSA-N
-rxn:4:187916:226150,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cccc(SC2CCCC2)c1,QTVJPCZGCNKPRN-UHFFFAOYSA-N
-rxn:4:187916:226423,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(Cl)c(N2CCCC2)c1,NMDGDXPMFBJQHQ-UHFFFAOYSA-N
-rxn:4:187945:224566,COC(=O)C1=Cc2cc(-c3ccc(C4(C(=O)OC)CCCC4)cc3)ccc2N(CC(C)C)CCC1,ADLCVAJDZVGPIV-UHFFFAOYSA-N
-rxn:4:187945:225756,COC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3C(C)C)ccc2N(CC(C)C)CCC1,OLRNVIHAAWNBMY-UHFFFAOYSA-N
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-rxn:4:188861:223573,CC(C)Oc1c(C#N)cccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,APSOTPKRTIIXJI-UHFFFAOYSA-N
-rxn:4:188984:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)ON=C(C)C)cc3)cc21,RCUKZNUEFHXLKC-UHFFFAOYSA-N
-rxn:4:189210:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(Cl)c2C(=O)ON2C(=O)CCC2=O)cc1,XVYRDHMBUKWFSF-UHFFFAOYSA-N
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-rxn:4:206729:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(N2CCC(C(F)(F)F)CC2)n1,CWVZRDXGIFCLLM-UHFFFAOYSA-N
-rxn:4:206737:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)cc2)CC1,KCXJXBYKWNKMIL-UHFFFAOYSA-N
-rxn:4:206759:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,AQZPXQHXEQMFBC-UHFFFAOYSA-N
-rxn:4:206759:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(Cl)c1,WBRBBZPHLOULGU-UHFFFAOYSA-N
-rxn:4:206772:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(F)(F)CC2)c(C(F)(F)F)c1,BMZWBKZMQWHRNZ-UHFFFAOYSA-N
-rxn:4:206797:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,BMWSOJHPSKRUQF-UHFFFAOYSA-N
-rxn:4:206807:224316,CN1CCN(C(=O)c2cc(F)cc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c2)CC1,IXUUTJQDQYOWPI-UHFFFAOYSA-N
-rxn:4:206807:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)CC1,MTSSMQAJTHKPPB-UHFFFAOYSA-N
-rxn:4:206807:224672,CCN1CCN(c2ccc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c(Cl)c2)CC1,GDSZQQVXHWGMEE-UHFFFAOYSA-N
-rxn:4:206807:225059,CC1CCN(c2ccc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c(Cl)c2)CC1,NJQNBRNQZFJJEM-UHFFFAOYSA-N
-rxn:4:206807:225228,CN1CCN(c2ccc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)c(F)c2)CC1,YTWMEUHZMFDQGQ-UHFFFAOYSA-N
-rxn:4:206850:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(C(=O)N4CCCCC4)cc3C)c2)CC1,HNBGBRXCVHFXSA-UHFFFAOYSA-N
-rxn:4:206853:224017,CC1CCN(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cc2C#N)CC1,VWFDPDJFCLPANP-UHFFFAOYSA-N
-rxn:4:206854:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4CCCC(C)C4)c(C#N)c3)c2)CC1,UBXSQTNIHRPOEH-UHFFFAOYSA-N
-rxn:4:206863:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(Cl)cc(C(=O)N2CCN(C)CC2)c1,METRYUHROJXSKU-UHFFFAOYSA-N
-rxn:4:206948:224400,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)n2)CC1,ZSMCMZRDUXNFNN-UHFFFAOYSA-N
-rxn:4:206958:224153,CC1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cn2)CC1,LFCINYMWPDGRAV-UHFFFAOYSA-N
-rxn:4:206978:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C(F)(F)F)cnc1N1CCC(C)CC1,OLJUVZHSLBHEHP-UHFFFAOYSA-N
-rxn:4:206978:224773,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCC(C)CC2)ccc1S(=O)(=O)N1CCCC1,SUIBETBTGGNNQO-UHFFFAOYSA-N
-rxn:4:206979:223658,CN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)CC1,XXJNQFDCLSBFKB-UHFFFAOYSA-N
-rxn:4:206981:224377,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N1CCC(C(F)(F)F)CC1,BVHHRZRFHIBBTP-UHFFFAOYSA-N
-rxn:4:207007:224244,CC1CCN(C(=O)c2cc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)cc3)ccc2Cl)CC1,OWVRXNBQNIIKHC-UHFFFAOYSA-N
-rxn:4:207077:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(C(=O)N2CCC(=C3CCC3)CC2)c1,DBYARVCKWQAGMG-UHFFFAOYSA-N
-rxn:4:207085:225008,COC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)cc2)CC1,UEOXJDDIVYDXSU-UHFFFAOYSA-N
-rxn:4:207085:225050,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(F)cc(N2CCC(C)CC2)c1,XYNXSYBNKPHUCS-UHFFFAOYSA-N
-rxn:4:207463:223918,CCn1ncc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c1C12CCSCC1O2,DCWHVUJFRQRBIJ-UHFFFAOYSA-N
-rxn:4:207464:222537,CCn1ncc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1C12COC(C)C1O2,POAILQCDQKZLRP-UHFFFAOYSA-N
-rxn:4:207669:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)c1,BYFPNFZUXKHLPI-UHFFFAOYSA-N
-rxn:4:207689:223993,Cc1cc(-c2ccc3c(c2)sc(=NC(=O)C2=COCCO2)n3C)ccc1S(=O)(=O)N1CCN(C)CC1,HTIVNGZABRHHES-UHFFFAOYSA-N
-rxn:4:207736:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,XGZWZXNGCGHIBX-UHFFFAOYSA-N
-rxn:4:207736:222514,COc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)NC1CCCCC1,BDCJXBJPKGOTND-UHFFFAOYSA-N
-rxn:4:207795:223993,Cc1cc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1S(=O)(=O)N1CCN(C)CC1,LKYUTUOYSCANNN-UHFFFAOYSA-N
-rxn:4:207829:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)CC1,PWOFFOPGJVBPLA-UHFFFAOYSA-N
-rxn:4:207846:225384,CCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)ccc21,KKCAAFDUCXOZBF-UHFFFAOYSA-N
-rxn:4:207854:225671,Fc1cnc(C2CCCCC2)cc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,JMFFXJDZDFJWDD-UHFFFAOYSA-N
-rxn:4:207856:224634,COc1ccc(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)cc1CN1CCOCC1,SYFBLERPWZAWOQ-UHFFFAOYSA-N
-rxn:4:207856:225763,COC(=O)c1cc(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)c(C)cc1OC,PIZIZDDVBSDIAU-UHFFFAOYSA-N
-rxn:4:207856:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)CCCC2N1CCN(C(C)C)CC1,DIHZTWJVWIHHCY-UHFFFAOYSA-N
-rxn:4:207858:222415,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(F)c(S(N)(=O)=O)c3)ccc21,RRDKBDGQMVKXDA-UHFFFAOYSA-N
-rxn:4:207890:224968,Cc1ccc(OCC2CCCO2)c(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)c1,FYEJAJSZKXMYOO-UHFFFAOYSA-N
-rxn:4:207965:227271,CCOc1cc(OC)cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)c1,AWSSCTBTQRUXLY-UHFFFAOYSA-N
-rxn:4:209675:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCCC4=O)cn3)c(F)cc2C)CC1,ZGULIHBCQICODC-UHFFFAOYSA-N
-rxn:4:209702:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(N4CCCCC4=O)c3)c(F)cc2C)CC1,MHTULJJEAGJKST-UHFFFAOYSA-N
-rxn:4:209856:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCCCC4)cc3C)cc2C)CC1,DCENDMHUPDPQDG-UHFFFAOYSA-N
-rxn:4:209872:223712,COc1ccc(-c2ccc(N3CCN(C)CC3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,YZFLVFSNGSUIHR-UHFFFAOYSA-N
-rxn:4:209880:223993,Cc1cc(-c2ccc(N3CCC(F)(F)CC3)nc2C)ccc1S(=O)(=O)N1CCN(C)CC1,OPZAKLDVAXQFLR-UHFFFAOYSA-N
-rxn:4:209880:223998,Cc1nc(N2CCC(F)(F)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,IKTWEHVKRZPRKB-UHFFFAOYSA-N
-rxn:4:209891:222524,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc(N2CCN(C)CC2)c1,SBUIEXFXTUGPOR-UHFFFAOYSA-N
-rxn:4:211089:225227,CC1CCN(c2ncc(-c3ccc4c(c3)N3CCCCCC3=C(C#N)S4(=O)=O)cc2Cl)CC1,MNGLVVMWCGWJBZ-UHFFFAOYSA-N
-rxn:4:212482:223669,CN1C(=O)COc2c1cnc1cc(F)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc21,OJYTWRVZGWFPKZ-UHFFFAOYSA-N
-rxn:4:212537:222913,Cc1nc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cn1CCN(C)C(=O)OC(C)(C)C,SYJPBYUBZONJCG-UHFFFAOYSA-N
-rxn:4:212542:224089,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(OCCN4CCC(C)CC4)cc3)cn2)C1,RISNSRMRORYQHA-UHFFFAOYSA-N
-rxn:4:212587:224582,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(N5CCN(C6CC6)CC5)c4)cn3)C2)cc1,YPPDRQJSLNBJSW-UHFFFAOYSA-N
-rxn:4:212627:223059,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3)C2)c1,HJXKAAPMDXVDME-UHFFFAOYSA-N
-rxn:4:212720:224271,CN(C(=O)c1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,IARAKWYRFDBROI-UHFFFAOYSA-N
-rxn:4:212761:223739,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c4ccccc34)s2)sc2cc(S(N)(=O)=O)ccc21,ZGFSJUTTWILCKG-UHFFFAOYSA-N
-rxn:4:212768:225289,CCOC(=O)c1nc(-c2cc(C(F)(F)F)ccc2OC(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2,IYIJUGUAQFVAFM-UHFFFAOYSA-N
-rxn:4:212779:223568,COC(=O)CS(=O)(=O)c1nnc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)n1-c1ccc(C2CC2)c2ccccc12,SQZKNRPDIWWLJC-UHFFFAOYSA-N
-rxn:4:212814:226950,Cc1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc2cccnc12,ZRQCTJSUADIFSN-UHFFFAOYSA-N
-rxn:4:212828:222550,COc1ccc(-c2ccc(F)c(C(=O)NCc3ccccc3)c2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,ULHBAJGSLMSRFQ-UHFFFAOYSA-N
-rxn:4:212838:223576,Cc1cccc(OCCn2c(C3CC(=O)N(c4ccccc4-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)C3)nc3ccccc32)c1,CBTSCLDZYNGASK-UHFFFAOYSA-N
-rxn:4:212838:224249,Cc1cccc(OCCn2c(C3CC(=O)N(c4ccccc4-c4cc(C(=O)N5CCCC(C)C5)ccc4F)C3)nc3ccccc32)c1,RBEOXTANIJMXQK-UHFFFAOYSA-N
-rxn:4:212839:223061,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCNCC5)ncc4F)ccn23)CC1,LGIDMGVKBSIHHA-UHFFFAOYSA-N
-rxn:4:212839:226679,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(N5CCCC5)cc4F)ccn23)CC1,LGGAFNRHSXTHGG-UHFFFAOYSA-N
-rxn:4:212839:228218,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CC5)ncc4F)ccn23)CC1,AAIYXIXFCPWHJZ-UHFFFAOYSA-N
-rxn:4:212872:224325,COCC(=O)N1CC(Cn2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,STOUOICLPFFKIQ-UHFFFAOYSA-N
-rxn:4:212966:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,VMHREQXOOCYZQT-UHFFFAOYSA-N
-rxn:4:212989:225709,CN(C)CCCOc1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1,AATITTDZOKLFKQ-UHFFFAOYSA-N
-rxn:4:213011:225172,CC(C)C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,WRTKZVFZZJJWJK-UHFFFAOYSA-N
-rxn:4:213037:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnc(OC2CCN(CCC(C)C)CC2)nc1,VGWSOZQJLXWYTL-UHFFFAOYSA-N
-rxn:4:213054:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(COc4ccc(C)nn4)C3)c2)c(C(F)(F)F)c1,UPACXLIZRHVRTQ-UHFFFAOYSA-N
-rxn:4:213057:224132,CCc1ncnc(OC2CCN(C(=O)c3ccccc3-c3ccccc3C(=O)N(C)C3CCCCC3)C2)c1F,DEALDZIPQQBROS-UHFFFAOYSA-N
-rxn:4:213058:224285,O=C(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)cc3F)cn2)C1,PFDYBYCPRNEDGH-UHFFFAOYSA-N
-rxn:4:213065:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1cnc(OC2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)nc1,PRIAERVRGDSOHF-UHFFFAOYSA-N
-rxn:4:213066:224761,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,JDNIFEGBSGLZQO-UHFFFAOYSA-N
-rxn:4:213075:223738,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)n2)CC1,UTWOQWHXQCIPMY-UHFFFAOYSA-N
-rxn:4:213100:228346,COC(=O)c1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)c(C)s1,ZFDSUPMYCBRNHH-UHFFFAOYSA-N
-rxn:4:213104:228634,Cc1cc(Cl)cc(C)c1-c1cccnc1OC1CCN(C(=O)CN2C(=O)CCC2=O)CC1,SLBNLMNORISUGI-UHFFFAOYSA-N
-rxn:4:213115:224713,CCCCOc1ccc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2)c(C(F)(F)F)c1,UQVQUNJZYVIEAP-UHFFFAOYSA-N
-rxn:4:213116:222698,O=C(c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)cc1Cl)N1CCC(O)CC1,RLUHQBUQQRYXIU-UHFFFAOYSA-N
-rxn:4:213125:222822,Cc1cc(F)c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1S(=O)(=O)NC1CC1,LSXOZEYKGVIBIC-UHFFFAOYSA-N
-rxn:4:213135:222546,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,VGWGEUCVBLSYMG-UHFFFAOYSA-N
-rxn:4:213135:222584,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,SWHHVSAJCNLHBP-UHFFFAOYSA-N
-rxn:4:213164:222439,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cn2)C1,IBHIQZOTTCQNSH-UHFFFAOYSA-N
-rxn:4:213179:223529,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)c3)CC2)nn1,FGRHPGUOQQPXHX-UHFFFAOYSA-N
-rxn:4:213183:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(-c3noc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3)cc2)c1,RTXFNOVOQOFLSQ-SANMLTNESA-N
-rxn:4:213192:228094,CCCOc1cncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c1,WJSUILDRJRIZEN-UHFFFAOYSA-N
-rxn:4:213192:228232,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(C4CC4)c3)n2)CC1,NYXFJRSPAGODRW-UHFFFAOYSA-N
-rxn:4:213196:222546,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,VJVODHCYJXWGKE-UHFFFAOYSA-N
-rxn:4:213201:224153,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(N4CCCC4)cc(N4CCCC4)c3)CC2)ncn1,JPXBUCQYKHTNOJ-UHFFFAOYSA-N
-rxn:4:213202:224392,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CC2)nn1,ARZYBUQBDQGKLO-UHFFFAOYSA-N
-rxn:4:213204:225291,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3OC(C)C)C2)nc1,BMCCCAOQJFYKCU-UHFFFAOYSA-N
-rxn:4:213211:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2ccc(C3=NN(C(=O)c4ccccc4)C(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1F,CODYYRKYGCTDGL-UHFFFAOYSA-N
-rxn:4:213237:225898,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)[nH]1,PEPKLGYQIQHUMP-QHCPKHFHSA-N
-rxn:4:213247:225605,Cc1cnc(OC2CCCC2)c(-c2cnn(CC3CN(C(=O)C4(c5ccccc5)CCOCC4)C3)c2)c1,NECGUSFWXOJBLB-UHFFFAOYSA-N
-rxn:4:213263:224778,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4c(F)cc(OC5CCOCC5)cc4F)c3)CC2)cc1,VRGCLODIYWKEKI-UHFFFAOYSA-N
-rxn:4:213269:224566,COC(=O)C1(c2ccc(-c3ccc(OC)cc3C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)CCCC1,YHJMRBPMJVVCMV-UHFFFAOYSA-N
-rxn:4:213281:223015,COC(=O)c1ccc2[nH]c(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2c1,CMIJKUNOAHQDFO-UHFFFAOYSA-N
-rxn:4:213289:228008,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc(Cl)cc(C3CC3)c2)CC1,ISFFOZKQPGDHSX-UHFFFAOYSA-N
-rxn:4:213360:225178,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(CN4CCOCC4)cc3F)ccc21,OGRBZINKDWOIKX-UHFFFAOYSA-N
-rxn:4:213387:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,KUHYTSOJSBMVIV-UHFFFAOYSA-N
-rxn:4:213449:222635,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cccc([C@H](C)NC(=O)OC(C)(C)C)c4)cc3c2-c2ccccc2)=NN1C(C)=O,CHPZXKKIQBFHFR-XFCCSEHESA-N
-rxn:4:213450:225329,Cc1nc2ccc(-c3ccc(OCC(F)(F)F)c(C#N)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,NVFKVIJOJBTOOF-UHFFFAOYSA-N
-rxn:4:213480:223005,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5CCNCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JTHODVJCBOCCES-FGGQGBITSA-N
-rxn:4:213480:224252,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCCC(C)C5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KISKTQVUUMIGBA-ANLKPUEHSA-N
-rxn:4:213480:225168,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCOCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,IVRMBAAEOZPCGI-QPYSNBRXSA-N
-rxn:4:213480:226417,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(Cl)cc(N5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,SMHKPNJPAFCWLF-CPPXEKLYSA-N
-rxn:4:213480:226457,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5CCOC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UNKNECAAPRGWRA-GCPQCHOZSA-N
-rxn:4:213480:227657,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCOCC5)s4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PNWOIAAGOMRJOT-KEVCDPDLSA-N
-rxn:4:213481:223058,COC12CC(COC(=O)c3cncc(-c4cc(F)nc(C5CCCNC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,GVPYPCNVXCRTHF-UHFFFAOYSA-N
-rxn:4:213529:223602,CN(C)CCCn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1,MSEJNTMZYIBFTG-UHFFFAOYSA-N
-rxn:4:213686:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(C(=O)C(C)(C)C)C3)c2)cc1,MIXSMSFJAKMUBB-UHFFFAOYSA-N
-rxn:4:213721:225268,CCCOc1cc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)C3)n2)cc(C(F)(F)F)c1,LIUXOGBGKACXGM-UHFFFAOYSA-N
-rxn:4:213757:222573,CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)n2)C1,FXEKUEOTTIAJIU-UHFFFAOYSA-N
-rxn:4:213764:222829,CNS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)c(C(F)(F)F)c1,OBDFGDOGTXMIJH-UHFFFAOYSA-N
-rxn:4:213764:225351,COC(=O)c1c(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)cccc1C(F)(F)F,DCUYNVMJJHLYKY-UHFFFAOYSA-N
-rxn:4:213799:225975,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccnc(N4CCOCC4)c3Cl)ncn2)C1,XMSZIRIRDIFCSU-UHFFFAOYSA-N
-rxn:4:213803:222546,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cn1,KIHKJBGNDRERJD-UHFFFAOYSA-N
-rxn:4:213841:225294,CCN1CCN(c2ncc(-c3cnc(OC4CCN(CC5CCC5)CC4)nc3)cn2)CC1,UAZAPCUZCZWGLY-UHFFFAOYSA-N
-rxn:4:213842:222826,CC(C)N1CCN(C(=O)Cc2cncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)CC1,NNYZUMHMVOLIJO-UHFFFAOYSA-N
-rxn:4:213880:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,IFOCMORLQJCOHP-UHFFFAOYSA-N
-rxn:4:213885:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c1,JZIBUSWGAHAWQS-UHFFFAOYSA-N
-rxn:4:213887:222623,CCC(C)c1cc(-c2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc(C2CCNCC2)n1,WHAHGJSPYNIGMY-UHFFFAOYSA-N
-rxn:4:213890:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ncn2)c1,FYNILNOTTYVCKZ-UHFFFAOYSA-N
-rxn:4:213899:224665,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccc(F)cc1CN1CCN(C)CC1,CYHKLYJCPFYWAM-UHFFFAOYSA-N
-rxn:4:213902:225898,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnn(CCN4CCOCC4)c3)cc2F)CC1,IJBSUWALEGKRFQ-UHFFFAOYSA-N
-rxn:4:213906:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4cccn4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,SJHHCAYKNRIWTI-UHFFFAOYSA-N
-rxn:4:213910:227719,O=S(=O)(N1CCOCC1)N1CCC(Oc2ncccc2-c2ccc(Cl)c(OC(F)F)c2)C1,DDDDIMWFZNWNIJ-UHFFFAOYSA-N
-rxn:4:213937:224683,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(C(=O)N4CCCCC4)c3)CC2=O)ccn1,DIJHXKPXHDZABT-UHFFFAOYSA-N
-rxn:4:213943:222584,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,ZEKPZZOSDYUXFX-UHFFFAOYSA-N
-rxn:4:213945:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc1,VACZJDNUBIJZPK-UHFFFAOYSA-N
-rxn:4:213971:224484,CC(C)N(C(=O)c1ccccc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1)C(C)C,MLBRUMYTNJFEJS-UHFFFAOYSA-N
-rxn:4:213971:228695,CN(C)Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cs1,NMECOLYBEMHSCA-UHFFFAOYSA-N
-rxn:4:214008:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,UGYXAZOMUBDYTJ-UHFFFAOYSA-N
-rxn:4:214022:224718,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)cc1C,HXVGWJNTSNHEBM-UHFFFAOYSA-N
-rxn:4:214026:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCCC(C(=O)N2CCOCC2)C1,BFXKMLRWHAKYAP-UHFFFAOYSA-N
-rxn:4:214046:223289,CNS(=O)(=O)c1ccccc1-c1ccc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)nc1,PZGPANKGFFNSBZ-DLBZAZTESA-N
-rxn:4:214051:224685,CC(C)c1sc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,FTODUOPOROOLSS-UHFFFAOYSA-N
-rxn:4:214056:226973,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc5c(c4)C(C)(C)CO5)o3)S2)CC1,ZRRDHYXFYPWKOD-UHFFFAOYSA-N
-rxn:4:214080:225294,CCN1CCN(c2ncc(-c3ccc(C(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)cn2)CC1,YBLAUJKEJKJWMS-UHFFFAOYSA-N
-rxn:4:214085:222441,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3)cc2)N=C1C1CCCCC1,BYOMSWMFZLIPBO-UHFFFAOYSA-N
-rxn:4:214153:225611,COc1cc(N2CCCC2)ccc1-c1cnn2c1OC[C@H](N(C)C(=O)OC(C)(C)C)C2,MHLVMGCABMGQCQ-QGZVFWFLSA-N
-rxn:4:214203:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(S(C)(=O)=O)CC3)c2)c1F,SQCMOPOEDTYCSA-UHFFFAOYSA-N
-rxn:4:214230:223772,COc1ccc2cc(-c3cnc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)n(C(=O)OC(C)(C)C)c2c1,ATLCQHRARXCXHT-UHFFFAOYSA-N
-rxn:4:214236:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1c(-c2ccc(F)cc2)nc2n1CCN(C(=O)OC(C)(C)C)C2,OJACHAXKDGZFHS-UHFFFAOYSA-N
-rxn:4:214254:222678,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc(CNC(=O)OC(C)(C)C)c(F)c3)cnc21,ZOTFNPOHGBOUQY-UHFFFAOYSA-N
-rxn:4:214389:223093,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc12,YBWDIAVPFKZARC-UHFFFAOYSA-N
-rxn:4:214627:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(C(F)(F)F)CC4)c(C#N)c3)cc2)CC1,GKORQJVMDLKGDZ-UHFFFAOYSA-N
-rxn:4:214627:223992,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCN(C)CC1,RVWBCJVXSWUANP-UHFFFAOYSA-N
-rxn:4:214627:223993,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)ccc1S(=O)(=O)N1CCN(C)CC1,IXRSXPYBUWRIJT-UHFFFAOYSA-N
-rxn:4:214627:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(C(F)(F)F)CC2)c(C#N)c1,SUTUVBHPLRVTKZ-UHFFFAOYSA-N
-rxn:4:214627:224394,Cc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCOCC1,NNHXNCAJXIILGL-UHFFFAOYSA-N
-rxn:4:214627:224761,N#Cc1cc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cnc1N1CCC(C(F)(F)F)CC1,DPAZIGCRIBOTMA-UHFFFAOYSA-N
-rxn:4:214628:223583,COC(=O)c1ccc2c(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)cn(C(=O)OC(C)(C)C)c2c1,XECITFBKAPSUIO-UHFFFAOYSA-N
-rxn:4:214660:223787,CN1CCN(CCCOc2ccc(-c3cnn(C)c3C(=O)N3CCC(C(F)(F)F)CC3)cc2F)CC1,HDYCMDKBYZKIBA-UHFFFAOYSA-N
-rxn:4:214674:223598,CN(C)C(=O)C1CCN(c2ncccc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)C1,UNGJTXGBZVUFID-UHFFFAOYSA-N
-rxn:4:214699:222465,CCN1CCN(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,XOWPSHZXRSXTGS-UHFFFAOYSA-N
-rxn:4:214699:222538,CCN1CCN(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)CC1,RKBDKNAYYMHQBJ-UHFFFAOYSA-N
-rxn:4:214702:224497,CCN1CCN(Cc2ccc(-c3ccc(N4CCN(CC)CC4)c([N+](=O)[O-])c3)cc2)CC1,WVXXAMSBVGHBHE-UHFFFAOYSA-N
-rxn:4:214702:224668,CCN1CCN(c2cc(F)cc(-c3ccc(N4CCN(CC)CC4)c([N+](=O)[O-])c3)c2)CC1,OBBSQPAHGGJIRN-UHFFFAOYSA-N
-rxn:4:214702:224672,CCN1CCN(c2ccc(-c3ccc(N4CCN(CC)CC4)c([N+](=O)[O-])c3)c(Cl)c2)CC1,UOPQYUXQVJGVMW-UHFFFAOYSA-N
-rxn:4:214710:224663,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(CN4CCN(C)CC4)c(F)c3)c2)CC1,LKMCGVUGHYZVGC-UHFFFAOYSA-N
-rxn:4:214710:224810,CCN1CCN(S(=O)(=O)c2cncc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)c2)CC1,LZLUHSIOEGRSND-UHFFFAOYSA-N
-rxn:4:214711:224011,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,LJCICIBTOVDNJS-UHFFFAOYSA-N
-rxn:4:214711:224575,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCC(C)CC4)cc3C#N)cn2)CC1,HWPGFURUZZMSSQ-UHFFFAOYSA-N
-rxn:4:214711:224666,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cn2)CC1,LGAJWJYILACOSA-UHFFFAOYSA-N
-rxn:4:214711:224667,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cn2)CC1,DAZYOKZBHYHEGG-UHFFFAOYSA-N
-rxn:4:214711:224683,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cn2)CC1,MTNVVDNNDSTQGZ-UHFFFAOYSA-N
-rxn:4:214718:224584,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3cccc(C(=O)N4CCC(C)CC4)c3)c2)CC1,PJIMEOLRODPMEV-UHFFFAOYSA-N
-rxn:4:214744:224672,CCN1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cc3C#N)c(Cl)c2)CC1,BQUXYWWHYCTAIF-UHFFFAOYSA-N
-rxn:4:214748:223526,CN(C)C1CCN(c2ccc(C#N)cc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,OFTNYGTZUGCDDJ-UHFFFAOYSA-N
-rxn:4:214753:222518,CC(C)N1CCN(C(=O)c2ncc(-c3ccc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc2Cl)CC1,DUKQNTBCNQYSAY-UHFFFAOYSA-N
-rxn:4:214758:223748,Cn1cc(-c2cc(C(=O)N3CCCC3)cc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)c2)cn1,UAFMDOVXEVITRH-UHFFFAOYSA-N
-rxn:4:214763:224376,CCCN1CCN(c2ncc(C)cc2-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1,DAAGAOPLIWMGDQ-UHFFFAOYSA-N
-rxn:4:214773:224991,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)nc(N4CCCC4)c3)c2)CC1,SDOHJCQEXKYAQZ-UHFFFAOYSA-N
-rxn:4:214780:223743,Cc1nnc(C2CCN(C(=O)c3ccccc3-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)CC2)s1,VDADIVDDJGIAEA-UHFFFAOYSA-N
-rxn:4:214803:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2)CC1,OPYCERDBSFXKFC-UHFFFAOYSA-N
-rxn:4:214818:226232,CN(C)CCOc1cccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,NOJXOELKUCEQIY-UHFFFAOYSA-N
-rxn:4:214820:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)cc2)cc1,FIIVBVFQARKYNY-UHFFFAOYSA-N
-rxn:4:214821:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cnc(N2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c1,KKCVXEBKJSSFBK-UHFFFAOYSA-N
-rxn:4:214821:226172,Cc1ccc(N2CCCC2)cc1-c1cnc(N2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c1,QDCZXMFFOJAGEF-UHFFFAOYSA-N
-rxn:4:214828:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)CC1,CACZVYMYRVCIAI-UHFFFAOYSA-N
-rxn:4:214851:222824,Cc1cc(F)c(-c2cncc(C(=O)N3CCCN(C4CCC4)CC3)c2)cc1S(=O)(=O)NC(C)C,ZISKPBTXPJSPBI-UHFFFAOYSA-N
-rxn:4:214852:222802,Cc1ccc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)c(S(=O)(=O)NC(C)(C)C)c1,CNOHGIHPGJZLMA-UHFFFAOYSA-N
-rxn:4:214855:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(OC2CCN(C3CCSCC3)CC2)nc1,NCDYDQHCCVLGQS-UHFFFAOYSA-N
-rxn:4:214873:225947,CN1CCN(c2ncc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)cn2)CC1,RJZQFSXEOXWREK-UHFFFAOYSA-N
-rxn:4:214874:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,KMJRPNKYHOSQHX-UHFFFAOYSA-N
-rxn:4:214880:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)CC1,VBMYOYYSMZFTLI-UHFFFAOYSA-N
-rxn:4:215067:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3C)c1,UEHXSEVTMZOZRY-UHFFFAOYSA-N
-rxn:4:215081:223598,COC(=O)c1nn(C2CCCCO2)c2ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc12,BNGOCTIHNAZRRU-UHFFFAOYSA-N
-rxn:4:215103:222945,CC(C)NS(=O)(=O)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)cc1F,MUDQAHBJKSRWCF-UHFFFAOYSA-N
-rxn:4:215114:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)N4CC(c5nc6cc(C)ccc6[nH]5)C4)o3)cc2C)CC1,ZJJICZYVKKIJBP-UHFFFAOYSA-N
-rxn:4:215153:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,HZHQNGVLDJPSDG-UHFFFAOYSA-N
-rxn:4:215184:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)cc1S(=O)(=O)NC1CCCCC1,IPABOYPRJVEXPZ-UHFFFAOYSA-N
-rxn:4:215198:226554,CCCOc1cc(F)c(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)cc1F,ZOMMMHREYAMQOC-UHFFFAOYSA-N
-rxn:4:215216:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2c1,LMIMPTLQVLYIOS-UHFFFAOYSA-N
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-rxn:4:215297:222805,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CC(C)C)c1ccc(-c3cc(F)c(F)c(N4CCC(O)CC4)c3)cc12,RDLCYFJVOLIVMG-UHFFFAOYSA-N
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-rxn:4:215740:224179,CN1CCN(CCOc2ccc(-c3cnn(C)c3C(=O)N3CCC(F)(F)C3)cc2)CC1,IOLSGSRMPWEURU-UHFFFAOYSA-N
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-rxn:4:215780:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(F)(F)CC2)c(C#N)c1,LDKCYRQCDMZBQJ-UHFFFAOYSA-N
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-rxn:4:215886:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1,MYYTYYDNQZOTQO-UHFFFAOYSA-N
-rxn:4:215909:224672,CCN1CCN(c2ccc(-c3cc([N+](=O)[O-])c(N4CCN(C)CC4)cc3F)c(Cl)c2)CC1,LUNVOKXKWLSAHU-UHFFFAOYSA-N
-rxn:4:215914:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cnc(N2CCC(C(F)(F)F)CC2)nc1C,ILCMPFWZWQRGMR-UHFFFAOYSA-N
-rxn:4:215961:222724,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,DCLZAYBRPKWFQT-UHFFFAOYSA-N
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-rxn:4:215986:224405,CC1CCN(c2cc(C(C)(C)C)nc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)n2)CC1,QXWQMZGDYXXQGF-UHFFFAOYSA-N
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-rxn:4:216354:223812,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc1C1CC(c3ccccc3)=NN12,GNSREMHAJWHYCM-UHFFFAOYSA-N
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-rxn:4:217216:222465,Cc1nc(N2CCCC(C)C2)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,MLWDFFHLDJZPQP-UHFFFAOYSA-N
-rxn:4:217886:223712,COc1ccc(-c2cnc(N3CC4CCCCC4C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,ZBASWBLOZJUAEX-UHFFFAOYSA-N
-rxn:4:217889:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,QWTPIAJKPJZHDZ-UHFFFAOYSA-N
-rxn:4:218581:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(OCC2CCN(C(=O)Cc3cccnc3)CC2)nc1,LZXFUDQOWPRDAW-UHFFFAOYSA-N
-rxn:4:218589:225654,CC1CCCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)cn2)C1,JOKHOHSGNFTADR-UHFFFAOYSA-N
-rxn:4:218589:226662,CN1CCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)s2)CC1,HUOUJSACDXKHDQ-UHFFFAOYSA-N
-rxn:4:218603:226926,Cc1cc(C(C)(C)C)ccc1-c1cnc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)nc1,FZVXMSIUIVMXNE-UHFFFAOYSA-N
-rxn:4:218620:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5csc(C6CC6)n5)C4)nc3)cc2)CC1,AVVJZTQLTFMGFM-UHFFFAOYSA-N
-rxn:4:218640:224325,CC(C)c1ocnc1CN1CCCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,UOOYOEMYSZEAKP-UHFFFAOYSA-N
-rxn:4:218645:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(OCc3nc(C#N)c(N4CCN(c5cccc(Cl)c5)CC4)o3)cc2)c1F,XCMFDFAUQPGSCL-UHFFFAOYSA-N
-rxn:4:218656:225829,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(C)CC4)nc3)cn2)C1,YWRLPBNHYISMLG-UHFFFAOYSA-N
-rxn:4:218686:224690,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3ccc(CN4CCC(=O)CC4)cc3F)CC2)CC1,JQYCJOMHBNAFDT-UHFFFAOYSA-N
-rxn:4:218687:223696,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)c3)CC2)nn1,GFMLZNVTGJNPEJ-UHFFFAOYSA-N
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-rxn:4:218700:226250,CCCCOc1ccc(Cl)c(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(F)cc4)C3)cc2)c1,VMCRFSDBXVJYED-UHFFFAOYSA-N
-rxn:4:218709:225952,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnc(N6CCOCC6)nc5C)cc4)n[nH]3)CC2)c1,MXAIZJQFKVGWMP-UHFFFAOYSA-N
-rxn:4:218817:223699,COCc1cn(C2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)o3)C2)nn1,ILFUQNAJVPCPMS-UHFFFAOYSA-N
-rxn:4:218824:222582,CN(CC1CN(c2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,CVQNSAJPWAJLKB-UHFFFAOYSA-N
-rxn:4:218867:224460,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)c2)no1,PGKIMAALQIDRIX-UHFFFAOYSA-N
-rxn:4:218867:225447,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCCC4)cc3)c2)no1,BCDUKKGJCBOCQO-UHFFFAOYSA-N
-rxn:4:218867:226426,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCC(C)CC4)s3)c2)no1,JPTGUIHMTMVKFF-UHFFFAOYSA-N
-rxn:4:218867:227657,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCOCC4)s3)c2)no1,HTVIWNZXZYWPIT-UHFFFAOYSA-N
-rxn:4:218868:226142,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccc(OC4CCCC4)c3)cc2)no1,CIFNLFIDBYUNTI-UHFFFAOYSA-N
-rxn:4:218877:225512,C[Si](C)(C)c1cc2cccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)c2s1,WCUPIZAPYIXBQV-UHFFFAOYSA-N
-rxn:4:218884:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)c2)CC1,GDLGRTLBLXTUPK-UHFFFAOYSA-N
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-rxn:4:218910:223926,c1cncc(CN2CCCC(COc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)cn3)C2)c1,VPSVIFFCAOHYBU-UHFFFAOYSA-N
-rxn:4:218919:224756,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cc(F)ccc3C(=O)N3CCOCC3)C2)cn1,OIWOJRXWCRKYTD-UHFFFAOYSA-N
-rxn:4:218944:226512,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccncc3OCC3CCO3)cc2[N+](=O)[O-])CC1,FIOPTCWYABAYAY-UHFFFAOYSA-N
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-rxn:4:218945:226025,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(OC4CCOC4)nc3Cl)cncc2[N+](=O)[O-])CC1,PWEKIWHJSQPBLA-UHFFFAOYSA-N
-rxn:4:218975:224767,Cc1cccnc1OCC1CCN(c2ncc(-c3cccc(C(=O)N4CCOCC4)c3F)cc2C#N)CC1,SSQGDJVGLHULMB-UHFFFAOYSA-N
-rxn:4:218991:224586,CC1CCN(Cc2ccc(F)cc2-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,COYZEGODYSFEAD-UHFFFAOYSA-N
-rxn:4:218992:227905,CC(C)Cc1cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)ccn1,TUWKQWAHGXRRPX-UHFFFAOYSA-N
-rxn:4:218995:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(CCn5nc(C)cc5C)CC4)o3)cc2F)CC1,QLFHYLFMNZXULZ-UHFFFAOYSA-N
-rxn:4:218997:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(Cc5c(C)noc5C)C4)nc3)cc2F)CC1,ZNJZVYVKRGAXLB-UHFFFAOYSA-N
-rxn:4:219040:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)c1,SXEVOAQUCMUKDZ-UHFFFAOYSA-N
-rxn:4:219046:222491,O=C(Nc1ccc(F)c(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c1)OCc1ccccc1,GOHVFAPAGLLVPI-UHFFFAOYSA-N
-rxn:4:219047:222748,COc1ccc(-c2cccc(C(=O)NCC3CCCO3)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,MLOCSWFEPXAGDG-UHFFFAOYSA-N
-rxn:4:219053:225882,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(Cl)c(C5CCOCC5)c4)c3)cn2)CC1,WGTDQPBDNZASMX-UHFFFAOYSA-N
-rxn:4:219058:222724,O=C(Cc1ccccc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1,UFPPDHFKLKQMGW-UHFFFAOYSA-N
-rxn:4:219072:222723,O=C(Cc1nnc(-c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)o1)N1CCN(C2CCCCC2)CC1,IJRXQQIBQQXZIP-UHFFFAOYSA-N
-rxn:4:219122:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccnc3OC3CCN(C(=O)Cn4cnc5ccccc5c4=O)C3)cc2F)CC1,SEUSUPAYWMEFRV-UHFFFAOYSA-N
-rxn:4:219203:223960,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)C(c3ccccn3)=N[C@@H](CCC(=O)OC)c3ncc(C)n3-4)ccc2F)CC1,IOZDVBMJZWKOET-LJAQVGFWSA-N
-rxn:4:219243:224566,COC(=O)C1(c2ccc(-c3ncn(C4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CCCC1,QGGYJNPSXKGFMN-UHFFFAOYSA-N
-rxn:4:219245:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1,KPCSLOZXFRNZPS-UHFFFAOYSA-N
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-rxn:4:219281:223574,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,GXEXQERGUHHEDP-UHFFFAOYSA-N
-rxn:4:219369:226426,CC1CCN(c2ccc(-c3nnc([C@H]4CCCN4C(=O)OC(C)(C)C)n3C)s2)CC1,QCYKHEKXDISTFS-MRXNPFEDSA-N
-rxn:4:219374:226654,CC1CCN(c2nc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nn3)cs2)CC1,PDBZZAGPAQDPJM-UHFFFAOYSA-N
-rxn:4:219388:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)o1,VSVLGFCZUMIVDW-UHFFFAOYSA-N
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-rxn:4:219467:223753,Cc1cccc(OCC2CCCN(c3ncc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cn3)C2)n1,QYMWIBZJWSFSDZ-UHFFFAOYSA-N
-rxn:4:219473:222584,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,BPMFJKXSNJKJLT-UHFFFAOYSA-N
-rxn:4:219516:226663,CN1CC(CN2CCC(Oc3ncc(-c4ccc(N5CCSCC5)nc4)cn3)CC2)CC1=O,XKUCXLHYAGAVAZ-UHFFFAOYSA-N
-rxn:4:219529:223072,CCCNS(=O)(=O)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)cc1,XZPJIAULQAMEAN-UHFFFAOYSA-N
-rxn:4:219529:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1OC,XMYUUKLUACPHBX-UHFFFAOYSA-N
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-rxn:4:219535:225469,CC1CCCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)cc2)C1,NYDIEOCWWIOEGV-UHFFFAOYSA-N
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-rxn:4:219631:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N(C)C3CN(c4cc5c(nn4)CCC5)C3)o2)CC1,GUIQMFNUWXTUEP-UHFFFAOYSA-N
-rxn:4:219651:223867,COc1ccc(-c2cccc(OCCCN3CCC(C)CC3)c2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,LCEPDHIBDOVGBY-UHFFFAOYSA-N
-rxn:4:219653:224666,CN1CCN(Cc2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)ccc2F)CC1,KKILKRZHAFYBIQ-UHFFFAOYSA-N
-rxn:4:219654:222684,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc23)CC1,PYDOWOXDDUHEKD-UHFFFAOYSA-N
-rxn:4:219704:222887,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cccc(C(=O)N5CCNCC5)c4)cc3n2)CC1,GCYATJZVLHZPCM-UHFFFAOYSA-N
-rxn:4:219759:224670,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(CN5CCN(C)CC5)ccc4F)cc2)OC3)CC1,UBGGTWUBUAPLDM-UHFFFAOYSA-N
-rxn:4:219766:224795,CCN(CC)S(=O)(=O)c1cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)ccc1F,SDCUCFNTWSTYRC-UHFFFAOYSA-N
-rxn:4:219853:224496,CCN1CCN(Cc2cccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)c2)CC1,BDPMLMNBZIULGC-UHFFFAOYSA-N
-rxn:4:219910:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnccc3OC3CCN(c4nccn(C)c4=O)C3)c2)CC1,LVQKLIVYPBYSEW-UHFFFAOYSA-N
-rxn:4:219934:222948,O=C(C1CN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)CCO1)N1CCCC1,CEQDDACPFIPPGG-UHFFFAOYSA-N
-rxn:4:219937:224063,CC1CCCN(c2cc(-c3cccc(C4CN(S(=O)(=O)c5cn(C)cn5)CCO4)n3)cc(C3CC3)c2)C1,XFJFGVBAHZKMPA-UHFFFAOYSA-N
-rxn:4:219950:223712,COc1ccc(-c2cnc(SC)nc2N2CCN(C3CCC3)CC2)cc1C12CC3CC(CC(C3)C1)C2,GOYXBAUJKOMRFW-UHFFFAOYSA-N
-rxn:4:219959:223816,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2c(Cl)ccnc21,INAAVGKOMQSCHJ-UHFFFAOYSA-N
-rxn:4:219984:223835,CCc1cc(N2CCN(c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cc3)CC2)ncn1,HFYMCOLHDSZXJG-UHFFFAOYSA-N
-rxn:4:219985:223835,CCc1cnc(N2CCN(c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cc3)CC2)nc1,FDLBPUPSDJZUKQ-UHFFFAOYSA-N
-rxn:4:219996:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1,RNNBKLIKHHOJSK-UHFFFAOYSA-N
-rxn:4:220136:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,ZYLMMCOGHXABKS-UHFFFAOYSA-N
-rxn:4:220158:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1S(=O)(=O)NC1CCCC1,MJHDGLVXLJWDJU-UHFFFAOYSA-N
-rxn:4:220158:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,RIMALHTUJGPZDL-UHFFFAOYSA-N
-rxn:4:220171:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)c2)CC1,OUGKXVXEEKTUAC-UHFFFAOYSA-N
-rxn:4:220394:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C)CC4)c(C#N)c3)cc2)CC1,WSCZDRSRPVVGOM-UHFFFAOYSA-N
-rxn:4:220396:224656,COc1ccc(-c2cnc(N3CCN(C)C(=O)C3)c([N+](=O)[O-])c2)c(F)c1OC1CCCC1,VKJSGEBTABAETL-UHFFFAOYSA-N
-rxn:4:220397:222466,CCN1CCN(c2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)CC1,ZQAASJKZZUJFSB-UHFFFAOYSA-N
-rxn:4:220398:224247,CC1CCN(C(=O)c2ccc(-c3cnc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(F)c2)CC1,PAOBHAPYOORBJL-UHFFFAOYSA-N
-rxn:4:220415:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCN(C5CCC5)CC4)nc3)c2)CC1,VHDNPNZGDQLJJU-UHFFFAOYSA-N
-rxn:4:220430:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c(F)c2)CC1,AWEYXEMFHVBVHS-RFJGZHNSSA-N
-rxn:4:220430:225227,CC1CCN(c2ncc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cc2Cl)CC1,VYUAGIMYCSRGIN-UHFFFAOYSA-N
-rxn:4:220533:224667,CN1CCN(Cc2cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)ccc2Cl)CC1,HXALQADSFSGTDE-UHFFFAOYSA-N
-rxn:4:220533:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c2)CC1,MTERIOSZRYPCIE-UHFFFAOYSA-N
-rxn:4:220533:225198,Fc1cccc(OC2CCCCO2)c1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,VPYIKVZCSAICSN-UHFFFAOYSA-N
-rxn:4:221094:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c1,SDMGYHXXDDFGBG-UHFFFAOYSA-N
-rxn:4:221100:225671,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(C4CCCCC4)ncc3F)cn2)CC1,GRXLYEQLWAPWSP-UHFFFAOYSA-N
-rxn:4:221114:228621,CCOc1ccc(-c2ccc(C)cc2SC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,KWJOTLBHGVYVGY-UHFFFAOYSA-N
-rxn:4:221114:229189,CCOc1ccc(-c2c(F)ccnc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,RINIFDMOEAKAQL-UHFFFAOYSA-N
-rxn:4:221116:229044,CCOc1ccc(-c2cc(C)cc(Cl)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,JPWHOYCFHVFDJD-UHFFFAOYSA-N
-rxn:4:221116:229117,CCOc1ccc(-c2ccnc(Cl)c2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,MFHXWHSPEFQUDK-UHFFFAOYSA-N
-rxn:4:221116:229207,CCOc1ccc(-c2ccnc(C)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,NZFAUNKIGGIORW-UHFFFAOYSA-N
-rxn:4:221121:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c(C)c1,VYXMZMDJYAREDT-UHFFFAOYSA-N
-rxn:4:221121:222861,CCCCNC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,GUXHIRPNXLISPB-UHFFFAOYSA-N
-rxn:4:221149:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(c5ccc(C#N)cn5)C4)nc3)c2)C1,GJBVUADAZPEQMD-UHFFFAOYSA-N
-rxn:4:221152:224087,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cccc(OCCN4CCCCCC4)c3)cn2)C1,UBNIAXMASCOMFC-UHFFFAOYSA-N
-rxn:4:221169:224396,Cc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)ccc1S(=O)(=O)N1CCOCC1,MEBNZDXSJYAPEJ-UHFFFAOYSA-N
-rxn:4:221169:225056,CC1CCCN(c2ccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5cnn(C)c5)C4)nc3)c(F)c2)C1,ZCVWNJUCCAGMDV-UHFFFAOYSA-N
-rxn:4:221175:226113,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)CC(C)C)cc4)cn3)C2)C(=O)C1=O,AECGQMWXXSCJPN-UHFFFAOYSA-N
-rxn:4:221179:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)cc1,CJYIGEAMCWXDLK-UHFFFAOYSA-N
-rxn:4:221179:223521,CC(c1cccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,OCEVFZXHKPXXQH-UHFFFAOYSA-N
-rxn:4:221180:223815,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1C,HCMQPYDENGJMRD-UHFFFAOYSA-N
-rxn:4:221194:226175,Cc1cc(N2CCCC2)ccc1-c1cnc(OC2CCN(S(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)nc1,IMPNAYATGDTPDB-UHFFFAOYSA-N
-rxn:4:221194:227657,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCOCC5)s4)cn3)CC2)cn1C,NYRQYFKMJSHTNP-UHFFFAOYSA-N
-rxn:4:221230:224285,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)cc4F)cn3)C1)CCC2,CJDMXVZCCOWFOZ-UHFFFAOYSA-N
-rxn:4:221240:223671,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C1)CCC2,NTWDZRDBMTWVGN-UHFFFAOYSA-N
-rxn:4:221245:224756,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(F)ccc5C(=O)N5CCOCC5)c4)CC3)nn2c1C,SLDBFTODDVMPEF-UHFFFAOYSA-N
-rxn:4:221247:224407,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cccc(S(=O)(=O)N5CCC(F)(F)C5)c4)cc3)nc2n(C)c1=O,BQEHQPAMVMYDMR-UHFFFAOYSA-N
-rxn:4:221249:225978,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCOCC6)nc5F)cnn4c3)cc2)CC1,FTJPMUMPJXOBGM-UHFFFAOYSA-N
-rxn:4:221352:223894,CN1CCN(CCCOc2cccc(-c3cnc(OC4CCN(c5nc(C6CC6)ns5)CC4)nc3)c2)CC1,WTSQWCDCYDOVQI-UHFFFAOYSA-N
-rxn:4:221360:222396,Cn1cnc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(C(=O)NC5CCC(O)CC5)cc4)cn3)C2)c1,AGNPDMUUAHYKDX-UHFFFAOYSA-N
-rxn:4:221372:222461,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)o3)CC2)c1,QXKJFUOVFFWLFC-UHFFFAOYSA-N
-rxn:4:221375:223602,Cn1cnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)cc1=O,FRLNKDXPQKCJOZ-UHFFFAOYSA-N
-rxn:4:221377:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc(N5CCC(N(C)c6ccccn6)CC5)c(C#N)c4)c3C(=O)C1C2(C)C,KGKNILSNKHSANT-UHFFFAOYSA-N
-rxn:4:221393:225655,CC1CCN(c2cncc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2)CC1,UTJCONNEQWYQGP-UHFFFAOYSA-N
-rxn:4:221398:227797,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(Cl)c(F)cc4[N+](=O)[O-])cn3)CC2)CC1,KRHLETXGHOOUOG-UHFFFAOYSA-N
-rxn:4:221400:222540,CN(C)c1ccc(N2CCN(Cc3cccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3)CC2)nn1,SCALKGXMUSSRIH-UHFFFAOYSA-N
-rxn:4:221415:222694,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cc3)CC2)n1,MEPUCHJGLCCMGC-UHFFFAOYSA-N
-rxn:4:221422:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,JZUSVUXBHLEULT-UHFFFAOYSA-N
-rxn:4:221437:227684,O=C(c1ccc(-c2cnn(CC3OCCO3)c2)o1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1,AEEJLWZCLDMAAN-UHFFFAOYSA-N
-rxn:4:221439:223105,CNS(=O)(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)c(F)cc1C,ALLXVHCQXHIMFU-UHFFFAOYSA-N
-rxn:4:221440:223216,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)CCC(=O)N5)cc3)CC2)n1,QMDJLLWBSOFZQD-UHFFFAOYSA-N
-rxn:4:221440:225833,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCCCC5)c4F)cc3)CC2)n1,JLPYDKQJDIROFJ-UHFFFAOYSA-N
-rxn:4:221440:226181,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5=CCCCC5)nc4)cc3)CC2)n1,FJNXNKUSPOWRPH-UHFFFAOYSA-N
-rxn:4:221440:227087,Cc1cnc(C(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,PCKZJGFQMZPLEI-UHFFFAOYSA-N
-rxn:4:221440:227797,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)c(F)cc4[N+](=O)[O-])cc3)CC2)n1,LJOPWHSZMPXTBW-UHFFFAOYSA-N
-rxn:4:221440:228210,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)s4)cc3)CC2)n1,WLXASWWCJSBXEJ-UHFFFAOYSA-N
-rxn:4:221440:228499,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)nn4C)cc3)CC2)n1,BKCGTQDCAXHGMQ-UHFFFAOYSA-N
-rxn:4:221442:222771,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(F)c(C(=O)NC4CCCC4)c3)CC2)n1,VMKJHLFBNLINGR-UHFFFAOYSA-N
-rxn:4:221448:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,IZZNKYIHEUTRNB-UHFFFAOYSA-N
-rxn:4:221449:223168,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4N4CCNCC4)cc3)CC2)n1,NKQKENGAFNPSLU-UHFFFAOYSA-N
-rxn:4:221449:225834,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5)ncc4F)cc3)CC2)n1,PJSUUUVRCMNKLJ-UHFFFAOYSA-N
-rxn:4:221449:227734,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc([N+](=O)[O-])c4C)cc3)CC2)n1,WHGGPAACJFLEEV-UHFFFAOYSA-N
-rxn:4:221456:225221,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCC(C)C5)ncc4F)cc3)CC2)n1,VSKLOZVMLYHRLV-UHFFFAOYSA-N
-rxn:4:221456:225677,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCCC5)nc4F)cc3)CC2)n1,DRLULHXYMGPYDK-UHFFFAOYSA-N
-rxn:4:221456:226067,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5=CCCCC5)cc4)cc3)CC2)n1,PBVVEENVDJBQLX-UHFFFAOYSA-N
-rxn:4:221456:226177,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCCC5)c4)cc3)CC2)n1,MWDIHRLKOHGWNV-UHFFFAOYSA-N
-rxn:4:221456:226371,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC5)cc4C)cc3)CC2)n1,DGFSBVBTUVDYQR-UHFFFAOYSA-N
-rxn:4:221456:227369,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)ccc4OC4CC4)cc3)CC2)n1,WZSCPNYDTHSGLD-UHFFFAOYSA-N
-rxn:4:221456:227813,CCc1cccc(CC)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,HLQDMLFBUCUIJF-UHFFFAOYSA-N
-rxn:4:221456:227819,CCc1cc(CC)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,WYPDDYABPDOVTB-UHFFFAOYSA-N
-rxn:4:221456:227834,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)c(C)c4)cc3)CC2)n1,MKSHXFIXTDTEAP-UHFFFAOYSA-N
-rxn:4:221456:227929,CCOc1cc(C)ccc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,NDYMGTZZLWNOPW-UHFFFAOYSA-N
-rxn:4:221456:227972,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCC5)c4)cc3)CC2)n1,VSCFHMGJMYATBS-UHFFFAOYSA-N
-rxn:4:221456:228020,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4c(F)cccc4C4CC4)cc3)CC2)n1,RXOAOLGHXSZJQQ-UHFFFAOYSA-N
-rxn:4:221456:228251,COc1cc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1C,JWHJZFSFCMDAFZ-UHFFFAOYSA-N
-rxn:4:221456:228334,CCOc1cnc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,VLTVSLXIWGXYNM-UHFFFAOYSA-N
-rxn:4:221572:225114,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)cc2)n(C)c1=O,PBJMEMZUNKIAQC-UHFFFAOYSA-N
-rxn:4:221572:225975,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,MDCFHUSIZCVORS-UHFFFAOYSA-N
-rxn:4:221834:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(c5ccc6cccnc6n5)CC4)nc3)cc2[N+](=O)[O-])CC1,KBIUKMNRFXULNF-UHFFFAOYSA-N
-rxn:4:221836:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,ZDQYZEBUBQSDNO-UHFFFAOYSA-N
-rxn:4:221935:224285,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)cc3F)cn2)C1,QHRZCLSYKJVXBO-UHFFFAOYSA-N
-rxn:4:221979:222896,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)OC(C)(C)C)s6)cc5)no4)C3C2=O)cc1,GBHFEPODIJECSF-UHFFFAOYSA-N
-rxn:4:222001:222466,CSc1ncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(N(C)C2CN(c3cnccn3)C2)n1,ALQHWAMOHIXOCW-UHFFFAOYSA-N
-rxn:4:222044:223748,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cc(N6CCCCC6)cc(N6CCCCC6)c5)cc4)CC3)nn2)n1,OFRXNYNSKBXMAK-UHFFFAOYSA-N
-rxn:4:222045:224101,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cccc(OCCN6CCC(C)CC6)c5)c4)CC3)nn2)n1,SZGDKYLDDZWSKM-UHFFFAOYSA-N
-rxn:4:222053:224685,CCc1cc(N2CCN(c3ncc(-c4cccc(C(=O)N5CCC(=O)CC5)c4)cn3)CC2)nc(C(C)(C)C)n1,JHINAPDZZVGKLP-UHFFFAOYSA-N
-rxn:4:222056:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2)CC1,OFTXXOSJGHIZGW-UHFFFAOYSA-N
-rxn:4:222060:222693,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)cc4)CC3)nn2)c(C)c1C,SPRKDDPSFATKGW-UHFFFAOYSA-N
-rxn:4:222062:223340,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)NCCO5)cc3)CC2)n1,LGJSWURAPKMWMW-UHFFFAOYSA-N
-rxn:4:222062:227375,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)nc4)cc3)CC2)n1,WFKCJXOLQDCMHN-UHFFFAOYSA-N
-rxn:4:222062:227819,CCc1cc(CC)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c1,DGHKGDYEFHLZBQ-UHFFFAOYSA-N
-rxn:4:222062:228701,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)nc4)cc3)CC2)n1,KWVLILIEKVZNOB-UHFFFAOYSA-N
-rxn:4:222089:222826,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(S(=O)(=O)N6CCNCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,JDCIYDQTSDKZND-UHFFFAOYSA-N
-rxn:4:222089:224952,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(CCN6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,JZQOVRYMHXMYNB-UHFFFAOYSA-N
-rxn:4:222102:224969,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)OC(C)(C)C)c(C)c6)cc5)no4)C3C2=O)cc1,YSABADBCGHJIIZ-UHFFFAOYSA-N
-rxn:4:222111:224324,Cc1cc(N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCC(=O)CC5)c4)cn3)C2)n2nc(C)cc2n1,IGIZILSCDVIPFX-UHFFFAOYSA-N
-rxn:4:222152:222538,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cn2)CC1,BTBAPZKFBGWACT-UHFFFAOYSA-N
-rxn:4:222161:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2)CC1,UIFTXFUZSSVGHD-UHFFFAOYSA-N
-rxn:4:222185:223728,CCCCCC1CCC(c2ccc(-c3[nH]nc4ncnc(N5CCN(c6ccccc6OC)CC5)c34)c(F)c2)CC1,JHDDHRAXUPPEDM-UHFFFAOYSA-N
-rxn:4:222192:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)cc2)CC1,PDHSWCPIMJGOGV-UHFFFAOYSA-N
-rxn:4:222194:224325,CC(C)(C)c1nc2c(c(N3CCN(c4ncc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)cn4)CC3)n1)CCC2,NLLBOAFHDCUTEP-UHFFFAOYSA-N
-rxn:4:222218:222389,Cc1ncnc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)c1C,PPUMWTYMZXJPOT-UHFFFAOYSA-N
-rxn:4:222335:224462,Cc1cc(N2CCN(c3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)CC2)nc(N2CCCC2)n1,DVHMIPBNJXTMBR-UHFFFAOYSA-N
-rxn:4:222339:224254,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)c3)CC2)n1,XPWQTRCLNWQUKP-UHFFFAOYSA-N
-rxn:4:222361:222684,COCCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCN7CCNCC7)c(Cl)c6)cn5)CC4C3)ncnc21,KPQTXBWHCRUPGS-UHFFFAOYSA-N
-rxn:4:222364:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)c2)CC1,QSAQACFAQQTULJ-UHFFFAOYSA-N
-rxn:4:222389:178286,Cc1cc(OCC2CCOCC2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,YVIFXNMNBMQBTH-UHFFFAOYSA-N
-rxn:4:222389:189521,COC1CCN(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)o2)C1,WNBLYERKAFWGBY-UHFFFAOYSA-N
-rxn:4:222389:218589,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)C2)cc1,ZQNOLXSGYKTENK-UHFFFAOYSA-N
-rxn:4:222543:204403,COCn1ncc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c1C12CCCC1O2,LKZITUHSKLOKGE-UHFFFAOYSA-N
-rxn:4:222623:215262,CCC(C)c1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C(c2cccc([N+](=O)[O-])c2)O3)cc(C2CCNCC2)n1,FJWBOJXOULMTQZ-UHFFFAOYSA-N
-rxn:4:222630:187810,COC(=O)c1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc2c1CCN2CC1CC1,XPYLBZGYSXFISG-UHFFFAOYSA-N
-rxn:4:222693:203827,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1,ZSZLFSFMAHDGBW-UHFFFAOYSA-N
-rxn:4:222723:203950,CC(=O)N1CCCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,KWTQQXMMVVPUSL-UHFFFAOYSA-N
-rxn:4:222740:185415,CC(C)c1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,PNOHFPMWIGVMNI-UHFFFAOYSA-N
-rxn:4:222741:194730,COC1CCN(C2CCc3cc(-c4cc(C5CC5)nc(C5CCCNC5)c4)ccc32)CC1,IUBFPQDJXULICS-UHFFFAOYSA-N
-rxn:4:222741:215969,Clc1cnc(N2CCN(C3CCC3)CC2)c(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,BJDPPAGGQLIUTB-UHFFFAOYSA-N
-rxn:4:222743:187357,COc1cc(-c2ccc(C(C)N3CCC(O)CC3)cc2)cc(OC)c1CN1CCCCC1,JPGGZYLXZAMXEX-UHFFFAOYSA-N
-rxn:4:222782:174522,Cc1cc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cnc1NC(=O)OC(C)(C)C,SJELMNAEGBSSSQ-UHFFFAOYSA-N
-rxn:4:222820:194696,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)cc1F,LPNPGLBAAVGPQV-UHFFFAOYSA-N
-rxn:4:222820:204604,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1F,UUMHCCSTFBJRKM-UHFFFAOYSA-N
-rxn:4:222882:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3cc(F)ccc3C(=O)NC(C)(C)C)c12)(C(C)C)C(C)C,JMNROIXNCIZOKU-UHFFFAOYSA-N
-rxn:4:222890:219950,COc1cc(-c2cnc(SC)nc2N2CCN(C3CCC3)CC2)cc(C2CCCNC2)n1,RKPANKMVRLNNEF-UHFFFAOYSA-N
-rxn:4:222943:219902,CC(C)N1CCN(c2c(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cncc2[N+](=O)[O-])CC1,XILYGMQUACARNL-UHFFFAOYSA-N
-rxn:4:222960:204073,CC(=O)N1CCN(S(=O)(=O)c2cc(-c3cc(C)cc(C4CCNCC4)c3)c(C)cc2C)CC1,YLBMIALWXDXDFA-UHFFFAOYSA-N
-rxn:4:222981:218587,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccnc(NC5CCCCC5)c4)cn3)CC2)cc1,UTNTZDKFTPDANL-UHFFFAOYSA-N
-rxn:4:223002:185145,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)cc3F)cc2)C1,HOLZUYPRVXZASR-UHFFFAOYSA-N
-rxn:4:223080:213996,CC(C)NS(=O)(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,OUYOKDSAYMWYHD-UHFFFAOYSA-N
-rxn:4:223080:214144,CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)cnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,CIJGWHFLYJXOSV-UHFFFAOYSA-N
-rxn:4:223093:174624,COc1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O,OUGUKPGABXSKIY-UHFFFAOYSA-N
-rxn:4:223102:185435,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)C2C=CS(=O)(=O)C2)cc1,ZCYONHNAZBWCRS-UHFFFAOYSA-N
-rxn:4:223570:185487,CCC(CC)n1ccc2c(C(=O)OC)cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc21,KEGDSVWUHVNDPC-UHFFFAOYSA-N
-rxn:4:223570:204753,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4C(=NC(=O)c5ccccc5)SC5CS(=O)(=O)CC54)cc3)c(F)ncc21,OVZQJXPCABJBGH-UHFFFAOYSA-N
-rxn:4:223940:187968,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)ccc21,UVZQNHAXSIZOOC-UHFFFAOYSA-N
-rxn:5:177180:223054:223062,CCOC(=O)c1c(C)cc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1-c1cnc(C2CCNCC2)cc1F,OYCRYRHQMFTBIY-UHFFFAOYSA-N
-rxn:5:177180:226330:223000,CCOC(=O)c1c(C)cc(-c2ccc(C(C)N3CCCC3)s2)cc1-c1ccc(C2CCCNC2)c(F)c1,DBSLVFULHMYABP-UHFFFAOYSA-N
-rxn:5:177180:226426:223062,CCOC(=O)c1c(C)cc(-c2ccc(N3CCC(C)CC3)s2)cc1-c1cnc(C2CCNCC2)cc1F,LCIOUMXLDQVHGL-UHFFFAOYSA-N
-rxn:5:177181:225941:226045,CC(C)OC(=O)c1ccc(-c2cnc(C3CC3)c(C(F)(F)F)c2)c(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1,RCZZHYIMLQCPSI-UHFFFAOYSA-N
-rxn:5:177186:223061:222990,CCOC(=O)c1cc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cc(C3CCNCC3)ncc2F)cc1C,LVABSBYLYBHMLK-UHFFFAOYSA-N
-rxn:5:177186:226662:223006,CCOC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C,NNQIEZJRJSKUGK-UHFFFAOYSA-N
-rxn:5:177190:222991:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2ccc(N3CCCC(O)C3)cc2)c1,DJSKCCPAFXSKLN-UHFFFAOYSA-N
-rxn:5:177190:222992:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2ccc(N3CCCCC3O)cc2)c1,YMLALJFYWHVRDI-UHFFFAOYSA-N
-rxn:5:177190:222992:225641,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCC(C)C3)c2)c(-c2ccc(N3CCCCC3O)cc2)c1,OJVBXGOTDGIEOV-UHFFFAOYSA-N
-rxn:5:177190:222994:225576,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCC3)c(C#N)c2)c(-c2cccc(N3CCC(O)CC3)c2)c1,WXLSNUWNRAFXGE-UHFFFAOYSA-N
-rxn:5:177190:222995:225461,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCC3)cc2C)c(-c2cccc(N3CCCC(O)C3)c2)c1,LPPZJTFGISCVMX-UHFFFAOYSA-N
-rxn:5:177190:223054:223139,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCNCC3)nc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,TZKWAJQCXSIBCG-UHFFFAOYSA-N
-rxn:5:177190:225454:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(C3=CCN(C)CC3)cc2)c1,MGXWDLWBFNIPQI-UHFFFAOYSA-N
-rxn:5:177190:225805:223148,CCS(=O)(=O)Cc1ccc(-c2ccccc2C2CNCCO2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,QLKZXYHKHZIXBV-UHFFFAOYSA-N
-rxn:5:177193:223006:226330,CCOC(=O)c1cc(C)c(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccc(C(C)N2CCCC2)s1,YPMNFFLDYFWEPR-UHFFFAOYSA-N
-rxn:5:177193:223056:223002,CCOC(=O)c1cc(C)c(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc(C2CCNCC2)cc1F,CTAOIZUQBQGTIB-UHFFFAOYSA-N
-rxn:5:177729:226330:226422,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cc(F)ccc3N3CCCC3)c2)s1)N1CCCC1,DBXVOSLASHSSMZ-UHFFFAOYSA-N
-rxn:5:177730:223054:227387,CC(c1ccc(-c2ccc(-c3ccnc(N4CCCC4)c3)c(C(=O)OC(C)(C)C)c2)s1)N1CCC(O)C1,XYXRALHBDVWUQH-UHFFFAOYSA-N
-rxn:5:177731:226149:225871,COc1ccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2C(=O)OC(C)(C)C)cc1C(C)(C)C,HTDCKLBZUSILRI-UHFFFAOYSA-N
-rxn:5:177734:223294:226661,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,WTWUIEYUSCDAFX-UHFFFAOYSA-N
-rxn:5:177734:226662:226649,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cccnc2N2CCOCC2)cc1C(=O)OC(C)C,CQQKWLJBTPCXGJ-UHFFFAOYSA-N
-rxn:5:177734:226794:226662,Cc1cc(-c2cnc(N3CCSCC3)nc2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,LWWBJLVRBPCNLL-UHFFFAOYSA-N
-rxn:5:177735:225448:226045,Cc1ccc(OC2CCCC2)c(-c2cc(C(=O)OC(C)C)cc(C)c2-c2ccc(C(F)(F)C(F)(F)F)nc2)c1,KALAEYHVJIBEKZ-UHFFFAOYSA-N
-rxn:5:177736:225631:223061,CN1CCN(c2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3-c3cc(C4CCNCC4)ncc3F)cc2)CC1,FPNJFVZMUCYNRX-UHFFFAOYSA-N
-rxn:5:177737:223065:223133,CC(C)(C)OC(=O)c1cc(-c2ccccc2N2CCNCC2)ccc1-c1ccc(N2CCNCC2)cc1F,PSCOORLRKQUQDY-UHFFFAOYSA-N
-rxn:5:177737:223138:223054,CC(c1ccc(-c2ccc(-c3ccnc(C4CCNCC4)c3)c(C(=O)OC(C)(C)C)c2)s1)N1CCC(O)C1,IESRUUQIXNYHLS-UHFFFAOYSA-N
-rxn:5:177737:226679:226661,CN1CCN(c2csc(-c3ccc(-c4cnc(N5CCCC5)cc4F)c(C(=O)OC(C)(C)C)c3)c2)CC1,KNFWBJVPQYWQGG-UHFFFAOYSA-N
-rxn:5:177739:223061:226330,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCCC1,HQFXHWZOHUQNDR-UHFFFAOYSA-N
-rxn:5:177891:222404:227954,O=C1NC(=O)C(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccc(C4CCC4)nc3)cc2)N1,RDOYCPARBMPTJT-UHFFFAOYSA-N
-rxn:5:177891:222405:227086,O=C1NC(=O)C(c2cccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccnc(C4CCCC4)c3)c2)N1,SUJAPHNQKTUPRD-UHFFFAOYSA-N
-rxn:5:177891:222405:228567,CCC(C)c1sccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(C2NC(=O)NC2=O)c1,NKNJARWKMCCQLD-UHFFFAOYSA-N
-rxn:5:177891:222420:227611,NS(=O)(=O)c1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnn1C1CCCCO1,YRUSLBVMONNVJA-UHFFFAOYSA-N
-rxn:5:177891:223136:227505,O=C(SC1CS(=O)(=O)CC1c1ccc(/C=C/[N+](=O)[O-])cc1)c1ccccc1-c1ccncc1C1CCCNC1,YOAOEQUJRPVAFK-NTCAYCPXSA-N
-rxn:5:177891:223138:227507,O=C(SC1CS(=O)(=O)CC1c1cccc(C=C[N+](=O)[O-])c1)c1ccccc1-c1ccnc(C2CCNCC2)c1,YNQDLINXJHJMPZ-UHFFFAOYSA-N
-rxn:5:177891:223142:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCNC3)nc2)cc1,PYUFOFORYNKSSW-UHFFFAOYSA-N
-rxn:5:177891:223142:228307,CON(C)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCNC3)nc2)ccn1,URJAPVWIHJVEDI-UHFFFAOYSA-N
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-rxn:5:177891:223240:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1ccc(C2CCNC2)nc1,CSHAJAAHYDIOSD-UHFFFAOYSA-N
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-rxn:5:178295:227069:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(OC)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,TYNFEVSSCOROLA-UHFFFAOYSA-N
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-rxn:5:178295:227525:228564,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)CC)s2)cc1C1(C(=O)OC)CCC(=O)CC1,POZWTDKDJQMVIV-UHFFFAOYSA-N
-rxn:5:178295:227535:227922,CCOc1cc(F)c(F)cc1-c1ccc(-c2ccc(OC)cc2CC)cc1C1(C(=O)OC)CCC(=O)CC1,FQIXXBIBUXKBKW-UHFFFAOYSA-N
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-rxn:5:178295:227830:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C3(C)CC3)cc2)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZCDKGHUJZJCOLF-UHFFFAOYSA-N
-rxn:5:178295:227833:227361,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(OC)c(C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,RKOMYCFPXRBWEY-UHFFFAOYSA-N
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-rxn:5:180020:226779:225679,O=C1CCCC1Oc1ccc(-c2ccc(N3CCCCC3)cc2F)cc1-c1ccc(C(=O)C(F)(F)F)cc1,PXBDEKVQIDZGRX-UHFFFAOYSA-N
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-rxn:5:180422:223138:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccnc(C2CCNCC2)c1,HVFIDXDFGMXMLE-UHFFFAOYSA-N
-rxn:5:180602:223010:223148,COC(=O)C1Cc2cc(-c3ccccc3C3CNCCO3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2O1,QPLRTSNIIBSTQM-UHFFFAOYSA-N
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-rxn:5:180602:226644:223062,COC(=O)C1Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(N4CCOCC4)c3)c2O1,KFUMRJHBPQVWBV-UHFFFAOYSA-N
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-rxn:5:180662:222981:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,WLWRTYCWKHUZSM-WYMLVPIESA-N
-rxn:5:180662:223001:227688,COC(=O)C1=Cc2cc(-c3cc([N+](=O)[O-])ccc3OC)cc(-c3cc(C4CCCNC4)ccc3F)c2OC1,ZSIPRDFSFRDAJU-UHFFFAOYSA-N
-rxn:5:180662:223064:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,CZDBKBCYGUDDMC-JLHYYAGUSA-N
-rxn:5:180662:223138:226731,COC(=O)C1=Cc2cc(-c3ccccc3S(=O)(=O)N(C)C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,HMTPXEKQZMYAOA-UHFFFAOYSA-N
-rxn:5:180662:223202:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,QNAQDTAYAGIQDP-UHFFFAOYSA-N
-rxn:5:180662:225976:227495,CCN(C)c1cc(-c2cc3c(c(-c4ccnc(N5CCOCC5)c4F)c2)OCC(C(=O)OC)=C3)c(F)cn1,KNQVNAAJOONSNB-UHFFFAOYSA-N
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-rxn:5:181904:222956:226426,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(N3CCC(C)CC3)s2)c(C2CCCNC2)c1,OXYKKKITRPUPSR-UHFFFAOYSA-N
-rxn:5:181904:225832:223135,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cccnc1C1CCCNC1,DVMFCDRNVULQAX-UHFFFAOYSA-N
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-rxn:5:181908:222981:226652,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(NC3CCCCC3)c2)n(C2CCCCO2)n1,SXLZQSKHGOCFDP-UHFFFAOYSA-N
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-rxn:5:181908:226661:225674,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(-c2cnc(C3CCCCC3)cc2F)cc1C1OCCO1,DHINCKAJMBXKST-UHFFFAOYSA-N
-rxn:5:182009:223058:226652,Cc1cc(-c2ccc(-c3cc(F)nc(C4CCCNC4)c3)c(C3CCOCC3)c2)n(C2CCCCO2)n1,HDAHEBRULLZNRR-UHFFFAOYSA-N
-rxn:5:182010:226028:225812,Cc1cc(-c2ccc(C3CCOCC3)c(-c3ccc(C(F)(F)F)c(C#N)c3F)c2)c(F)c(OC(C)C)c1F,OCHNUIYEKSXBHM-UHFFFAOYSA-N
-rxn:5:182011:222988:223061,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2cc(C3CCNCC3)ncc2F)cc(C2CCNCC2)n1,PGMBQXNMBYIRRN-UHFFFAOYSA-N
-rxn:5:182012:225684:222956,Cc1ccc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)cc2C2CCCOC2)c(C2CCCNC2)c1,UNBCCUJWMRMPLP-UHFFFAOYSA-N
-rxn:5:183189:225407:225439,CC(c1cccc(-c2cc3c(c(-c4ccc(C5CCCCCC5)cc4)c2)OC(C)(C)OC3)c1)N1CCCC1,KCJPBJKTLGMLIP-UHFFFAOYSA-N
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-rxn:5:189207:227823:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2ccccc2C(C)(C)C)cc1C(=O)ON1C(=O)CCC1=O,FQIZJWFNEAMEDR-UHFFFAOYSA-N
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-rxn:5:189322:223018:226058,CC(C)c1cccc(C(C)C)c1-c1ncc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc1C(=O)OC(C)(C)C,XPBPXUSAJAJEMS-UHFFFAOYSA-N
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-rxn:5:189449:226152:226772,COC(=O)c1cc(F)c(-c2ccc(-c3cc(C4CC4)cc(OC)c3C)c(C(=O)N3CC(OC)C3)c2)c(F)c1,NFJYCRQZUZVCQJ-UHFFFAOYSA-N
-rxn:5:189449:227338:225671,COC1CN(C(=O)c2cc(-c3cc(C4CCCCC4)ncc3F)ccc2-c2cc(OC(C)C)ccc2F)C1,DWVUHBWEHCIODP-UHFFFAOYSA-N
-rxn:5:189449:227542:225469,COC(=O)c1cc(F)ccc1-c1ccc(-c2ccc(N3CCCC(C)C3)cc2)cc1C(=O)N1CC(OC)C1,MFIJTDVZCCLXCB-UHFFFAOYSA-N
-rxn:5:189513:225499:225499,O=[N+]([O-])c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1S(=O)(=O)c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1,OUEFHTGGFCIVAS-UHFFFAOYSA-N
-rxn:5:189662:225499:227371,COc1c(C)ccc(-c2ncc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCOCC2)c1OC,LTKUGBCNRWXMOW-UHFFFAOYSA-N
-rxn:5:189664:223173:223131,O=C(Cc1ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1-c1ccc(N2CCNCC2)cc1)N1CCCC1,MCAUOBJYPZGTPQ-UHFFFAOYSA-N
-rxn:5:189718:227655:226605,CC(C)Oc1cc(F)c(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(F)c(F)c(N(C)C)c2)cc1F,ZPHWVFQPOGWVNE-UHFFFAOYSA-N
-rxn:5:189827:227036:225466,CC1CCCCN1c1ccc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2cc(C3CC3)ccc2C#N)cc1,VEZQWOYNSWFLDS-UHFFFAOYSA-N
-rxn:5:189829:223062:223341,COc1c(-c2ccc3c(c2)CC(=O)N3)cc(C(=O)N2CCCC2)cc1-c1cnc(C2CCNCC2)cc1F,ANPCALWXMDTTKB-UHFFFAOYSA-N
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-rxn:5:190127:222959:226913,CCc1cc(-c2ccc(-c3ccc(C4CCNCC4)c(C)c3)cc2C(=O)N2CCC(OC)CC2)cc(C2CC2)c1,AGKHFNKBRUVFGI-UHFFFAOYSA-N
-rxn:5:190127:226050:225816,COC1CCN(C(=O)c2cc(-c3c(F)cc(OC(F)(F)F)cc3F)ccc2-c2cc(C3CC3)ccc2C(F)(F)F)CC1,WUEVJZJALPOFDA-UHFFFAOYSA-N
-rxn:5:190127:228101:225931,COC1CCN(C(=O)c2cc(-c3cc(C#N)cc(C#N)c3)ccc2-c2cc(C)cc(S(=O)(=O)N(C)C)c2)CC1,QVXJIHWVPCYBRX-UHFFFAOYSA-N
-rxn:5:190177:226048:226841,COc1cc(-c2ccc(SC3CC(=O)N(c4ccc(-c5c(F)ccc(F)c5OC(F)(F)F)cc4)C3=O)cc2)cnc1C(F)(F)F,VYJWTFGUKRBETF-UHFFFAOYSA-N
-rxn:5:190194:225498:227055,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCCC3)ccc2F)cc1C1CC1,NTGOBGMZDHMHLV-UHFFFAOYSA-N
-rxn:5:190194:226159:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(N3CCCCC3)c2)c1OC,HQVKOKCCAKVNRA-UHFFFAOYSA-N
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-rxn:5:190194:228148:225677,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)nc2F)c1OC,QYUMYIPJNZSUNJ-UHFFFAOYSA-N
-rxn:5:190196:223065:223113,CN(Cc1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LBEZXDCTFSTUPK-UHFFFAOYSA-N
-rxn:5:190196:226425:228357,COc1nc(C)c(-c2cc(-c3ccc(N4CCCCC4C)s3)ccc2CN(C)C2CCOCC2)c(C)n1,JDSDTZXKAUKGKW-UHFFFAOYSA-N
-rxn:5:190197:225803:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccnc(OC2CCOCC2)c1)C1CCOCC1,ZSCCJUVARFKRIN-UHFFFAOYSA-N
-rxn:5:190197:226060:227707,CN(Cc1ccc(-c2ccccc2OC(F)(F)F)cc1-c1cc(C2CC2)cc(C2CC2)c1)C1CCOCC1,FKHMNXOJXUXBCN-UHFFFAOYSA-N
-rxn:5:190199:227772:226158,CN(Cc1cc(-c2ccccc2N2CCCCC2)ccc1-c1cncc(OC(F)(F)F)c1)C1CCOCC1,HRKCDDWVRRDCKH-UHFFFAOYSA-N
-rxn:5:190200:227061:225874,Cc1ccc(OC(C)C)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(F)c(N3CCOCC3)c2)c1,LQAYKPFAYMJOAF-UHFFFAOYSA-N
-rxn:5:190201:225931:227342,COC(=O)c1ccc(-c2ccc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)cc2CCN2CCOC(C)C2)cc1C,MIJJBXUQQHKMFA-UHFFFAOYSA-N
-rxn:5:190231:226590:226883,COc1c(-c2ccc(OC3CCOC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1c(F)ccc(C(F)(F)F)c1F,FUCSFDUPXHUTBM-UHFFFAOYSA-N
-rxn:5:190264:225576:228137,CCOc1ncc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2ccc(N3CCCC3)c(C#N)c2)cc1C,XLAWPXXFSYUNGF-UHFFFAOYSA-N
-rxn:5:190307:222988:226737,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3)c(CCN3CCC(C)CC3)c2)cc(C2CCNCC2)n1,VAOFOSLXDJTKFY-UHFFFAOYSA-N
-rxn:5:190308:223140:227369,CC1CCCN(CCc2cc(-c3ccnc(C4CCCNC4)c3)ccc2-c2cc(F)ccc2OC2CC2)C1,JRVSSKFMMDFQTI-UHFFFAOYSA-N
-rxn:5:190335:225466:228678,COc1c(-c2ccc(N3CCCCC3C)cc2)cc(C(=O)N2CCCCC2C)cc1-c1ccnn1CC(C)C,YOCSDDVVTGUDPW-UHFFFAOYSA-N
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-rxn:5:190337:228974:226181,COc1c(-c2ccc(C3=CCCCC3)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cnn(S(C)(=O)=O)c1,DSKWMBGCEYIEJQ-UHFFFAOYSA-N
-rxn:5:190484:223138:223312,O=C(c1cccc(-c2ccnc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,WMEFZIJOJHRCGS-UHFFFAOYSA-N
-rxn:5:190484:223354:227626,CNC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C5CCOC5)nc4)S(=O)(=O)CC3)c2)cc1,CHQPVVHGCCPERP-UHFFFAOYSA-N
-rxn:5:190484:228868:223147,COC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CNCCO5)cc4)S(=O)(=O)CC3)c2)s1,INDLHENMZXAZSP-UHFFFAOYSA-N
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-rxn:5:190741:225834:225849,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,ONFAVJPTMMMSIC-UHFFFAOYSA-N
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-rxn:5:190744:223061:225980,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,ABYWFZQRASNJFC-UHFFFAOYSA-N
-rxn:5:190744:225633:223061,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,UJDWAJYRFPPLPO-UHFFFAOYSA-N
-rxn:5:190744:225655:225980,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,JDWOTJRBZBPNBJ-UHFFFAOYSA-N
-rxn:5:190797:226085:225600,CC(C)(C)OC(=O)n1ccc2c(-c3cccnc3OC3CCCCC3)cc(-c3ccc4c(c3)CCC(C)(C)O4)cc21,NESNZDSIODRQAS-UHFFFAOYSA-N
-rxn:5:190833:226974:227906,CCC(C)c1ncccc1-c1ccc(-c2ccc3c(c2)COC3(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,IBRQTVIOHJSPIL-UHFFFAOYSA-N
-rxn:5:190859:227579:226601,CCOc1c(F)cc(-c2ccc3c(c2-c2c(OC(C)C)ccc(F)c2F)CCN3C(=O)OC(C)(C)C)cc1F,CYXIHEJODKTIMK-UHFFFAOYSA-N
-rxn:5:190998:226737:227031,COC(=O)c1cc(-c2ccc(C3CC3)cc2C#N)ccc1N1Cc2cc(-c3ccc(C(F)(F)F)c(C#N)c3)ccc2OCC1=O,FUGAVSYXVYGDCD-UHFFFAOYSA-N
-rxn:5:192236:225805:223186,COc1cc(-c2cnn(C3CCCCO3)c2)c(S(N)(=O)=O)cc1-c1ccc(C(C)N2CCOCC2)s1,ADYNMGVTAKDJOX-UHFFFAOYSA-N
-rxn:5:192572:222989:225986,Cc1cc(N2CCNCC2)ccc1-c1ccc(C(=O)N2CCC2)c(-c2ccccc2N2CCCS2(=O)=O)c1,FEKIJFHMYWUFTC-UHFFFAOYSA-N
-rxn:5:192572:226035:226049,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(C(=O)N2CCC2)c(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1,MDDCJQTXBBQREZ-UHFFFAOYSA-N
-rxn:5:192882:225472:225657,Cc1cc(-c2cc(-c3cccc(N4CCCCC4C)c3)cnc2OC2CCCC2)ccc1N1CCOCC1,BZFXRVILMPJTFO-UHFFFAOYSA-N
-rxn:5:193046:226733:225597,CN(C)S(=O)(=O)c1ccc(-c2cc(C(C)(C)C)cc([N+](=O)[O-])c2-c2ccc(OC3CCCCC3)nc2)cc1,YKRAAMWKDDIGIG-UHFFFAOYSA-N
-rxn:5:193225:225884:226586,O=C(c1cc(-c2ccc(C3COCCO3)c(F)c2)ccc1-c1ccnc(OC2CCOC2)c1)N1CCOCC1,XFUGCNXVKGKQST-UHFFFAOYSA-N
-rxn:5:193226:223006:223061,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,DZVRHCFMRLZLCC-UHFFFAOYSA-N
-rxn:5:193229:226131:226753,COc1ccc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccccc2CN2CCCC2)c(C(F)(F)F)c1,IWEZKGNFGPKDJH-UHFFFAOYSA-N
-rxn:5:193230:223065:225784,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc(CN2CCOCC2)nc1)N1CCOCC1,DICUMSIKFQGTGC-UHFFFAOYSA-N
-rxn:5:193230:223065:226645,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,NBJHEKPVCIYZAZ-UHFFFAOYSA-N
-rxn:5:193230:225881:226645,O=C(c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,JPHUZQRHNMRFSL-UHFFFAOYSA-N
-rxn:5:193333:226686:225652,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cncc(N2CCCC(C)C2)c1,FEJVVVMIXQICRE-UHFFFAOYSA-N
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-rxn:5:193382:227020:226794,O=S(=O)(c1ccc(-c2cncc(C#CC3CC3)c2)cc1-c1cnc(N2CCSCC2)nc1)N1CCOCC1,HASWBWYNLLBXDC-UHFFFAOYSA-N
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-rxn:5:193461:225986:226426,CC1CCN(c2ccc(-c3cc(-c4ccccc4N4CCCS4(=O)=O)ccc3C(=O)N3CCCCC3)s2)CC1,BWCNLTIOXHUNJM-UHFFFAOYSA-N
-rxn:5:193464:223294:225987,N#CC1(c2ccc(-c3csc(N4CCNCC4)n3)cc2-c2ccc(N3CCCS3(=O)=O)cc2)CCCCC1,DPHMNSOIJZVHOE-UHFFFAOYSA-N
-rxn:5:193468:226342:226413,COC(=O)c1c(C)cc(-c2cccc(-c3cccc(N4CCOCC4)c3)c2C(=O)N2CCC[C@@H]2C)cc1C,QWAHINZJOWRBTM-QHCPKHFHSA-N
-rxn:5:193506:223135:226366,O=C1CCN(S(=O)(=O)c2ccc(-c3cccnc3C3CCCNC3)cc2-c2ccnc(N3CCCCC3)c2)CC1,WDNCIAQNABKJNB-UHFFFAOYSA-N
-rxn:5:193506:223138:228103,CC(C)Cc1ncc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,FFEBTGSFCMBUEP-UHFFFAOYSA-N
-rxn:5:193506:223311:225849,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CNC4)c3)cc2-c2cnc(N3CCCCC3)cc2F)CC1,WYANUBDHXVLTSZ-UHFFFAOYSA-N
-rxn:5:193506:225607:223148,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)s1)N1CCCCC1,WRTAAUSRMDJXCG-UHFFFAOYSA-N
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-rxn:5:193506:226335:223242,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNC4)c3)c2)ccc1C1COC1,AOPNUCZXPWGMGE-UHFFFAOYSA-N
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-rxn:5:193681:226414:223173,CN1CCC(Oc2cc(-c3ccc(C4=NCCCO4)cc3)ccc2-c2ccc3c(c2)C(O)CS3(=O)=O)CC1,QWLSZYJXQLFFCT-UHFFFAOYSA-N
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-rxn:5:193754:228292:225985,CC1CCN(C(=O)c2cccc(-c3ccnc4c3OCCO4)c2-c2cccc(N3CCCS3(=O)=O)c2)CC1,ZEJAVXZNUWTJMF-UHFFFAOYSA-N
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-rxn:5:193968:227745:227811,CC(C)Cc1ccc(-c2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2CN2CCC3(CC2)OCCO3)cc1,VSHDWECHMGFLMM-UHFFFAOYSA-N
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-rxn:5:193972:226067:228684,CCOc1ncccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(C3=CCCCC3)cc2)cc1C,QTMQFLSJCWFMPX-UHFFFAOYSA-N
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-rxn:5:193972:227923:226366,CCOc1ccc(C)cc1-c1cc(C)c(-c2ccnc(N3CCCCC3)c2)cc1S(=O)(=O)N1CCCCCC1,QGMJMJCVWXSMDW-UHFFFAOYSA-N
-rxn:5:193972:227933:226364,CCc1ccc(OC)cc1-c1cc(C)c(-c2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)N1CCCCCC1,JXHKZPGJBIIFMM-UHFFFAOYSA-N
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-rxn:5:193972:227963:226395,Cc1cc(-c2ccnc(C(C)(C)C)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2)c1,GHTQKJKCIGOXOY-UHFFFAOYSA-N
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-rxn:5:193972:228064:226431,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC2)c(F)c1,GOBHRTCQZXZRCS-UHFFFAOYSA-N
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-rxn:5:193972:228576:226366,Cc1cc(-c2cc(C#N)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,USXIRAQSPGTJMA-UHFFFAOYSA-N
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-rxn:5:193972:228759:223133,CC(=O)c1ccc(-c2cc(C)c(-c3ccccc3N3CCNCC3)cc2S(=O)(=O)N2CCCCCC2)cn1,ZDGRBGNINGWWMY-UHFFFAOYSA-N
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-rxn:5:193972:228993:225636,Cc1cc(-c2ccc(C#N)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,OCBJQDNBPGLWCT-UHFFFAOYSA-N
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-rxn:5:194399:226661:227075,COc1cc(-c2cc(C(=O)N3CC4CC4C3)ccc2-c2cc(N3CCN(C)CC3)cs2)cc(C(C)C)c1,YRMNTJUBVLIYRN-UHFFFAOYSA-N
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-rxn:5:196533:225632:226794,CN1CCN(c2cccc(-c3ccc(N4C(=O)CC(c5cnc(N6CCSCC6)nc5)C4=O)cc3)c2)CC1,RQBDHDBNRBGJNO-UHFFFAOYSA-N
-rxn:5:196618:225924:223064,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)c(N2CCCC2=O)c1,AFSRHYGMVBHCSY-UHFFFAOYSA-N
-rxn:5:196794:225881:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(C5CCOCC5)nc4F)cc3N3CCOCC3=O)c2)CC1,YROAINZCFCGZAB-UHFFFAOYSA-N
-rxn:5:196858:222986:222986,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cc(C)nc(C3CCCNC3)c2)cc(C2CCCNC2)n1,HPLIUOPLSPVLFN-UHFFFAOYSA-N
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-rxn:5:196859:223058:226652,Cc1cc(-c2nccc(C3CCOCC3)c2-c2cc(F)nc(C3CCCNC3)c2)n(C2CCCCO2)n1,BUZJHMKAPFLPQY-UHFFFAOYSA-N
-rxn:5:196859:225684:222960,Cc1cc(-c2nccc(C3CCOCC3)c2-c2ccc(C3CCOCC3)nc2C)cc(C2CCNCC2)c1,YPQZNCPSBUGYQZ-UHFFFAOYSA-N
-rxn:5:196917:226175:225985,Cc1cc(N2CCCC2)ccc1-c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1=NC(C)(C)CO1,ATRCISSXQXBIBK-UHFFFAOYSA-N
-rxn:5:196918:223173:225666,O=C1CCCCN1c1cccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1-c1cc(F)cc(N2CCCCC2)c1,JQNSQYGIMXLZEY-UHFFFAOYSA-N
-rxn:5:196919:225654:223173,CC1CCCN(c2ccc(-c3ccc(C4=NC(C)(C)CO4)c(-c4ccc5c(c4)C(O)CS5(=O)=O)c3)cn2)C1,LQZHZUBRLHBBKG-UHFFFAOYSA-N
-rxn:5:196919:227804:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1C1=NC(C)(C)CO1,PQHIFYBRIBZOMG-UHFFFAOYSA-N
-rxn:5:196970:226654:222956,Cc1ccc(-c2nccc(C3CCCCC3)c2-c2csc(N3CCC(C)CC3)n2)c(C2CCCNC2)c1,WLWJPNSYZRRHGV-UHFFFAOYSA-N
-rxn:5:196977:222989:225985,Cc1cc(N2CCNCC2)ccc1-c1ccc(N2CCCCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,GNENMPFJRIMWEV-UHFFFAOYSA-N
-rxn:5:196977:225985:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(N2CCCCC2)ccc1-c1cccc(N2CCCS2(=O)=O)c1,WQCSKKKPYBNYKI-UHFFFAOYSA-N
-rxn:5:196978:222989:225985,Cc1cc(N2CCNCC2)ccc1-c1ccc(N2CCCCC2)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,XCCMTYOOPLIYJW-UHFFFAOYSA-N
-rxn:5:196978:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2)c(-c2cncc(C3CCNCC3)c2)c1,UHYKFTUQIKCMRS-UHFFFAOYSA-N
-rxn:5:196979:225931:223061,Cc1cc(-c2cc(-c3cc(C4CCNCC4)ncc3F)cc(N3CCCCC3)c2)cc(S(=O)(=O)N(C)C)c1,RZDWTZSIZAXGBO-UHFFFAOYSA-N
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-rxn:5:197876:229169:225439,CC(c1cccc(-c2cc3c(cc2-c2cscc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,VYYAZLDWFVTSJI-UHFFFAOYSA-N
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-rxn:5:225833:193869:228572,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccnc(N4CCCCC4)c3F)cc2C)cc1C#N,ORAXVDLRGUMIAY-UHFFFAOYSA-N
-rxn:5:225880:193329:226464,COc1ccc2c(c1-c1c(-c3cc(C4CCOCC4)ncc3F)ccnc1OC1CCCCC1)OCCO2,MJOOMZFTDPIEGT-UHFFFAOYSA-N
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-rxn:5:227048:190833:226926,Cc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(C(=O)C(C)C)cc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,OBNNPJIMRPEMQX-UHFFFAOYSA-N
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-rxn:5:227065:190001:223189,CC(C)C(=O)c1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(NS(C)(=O)=O)cc2F)c1,RCHLFSURXOERHL-UHFFFAOYSA-N
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-rxn:5:227103:193972:228890,Cc1cc(-c2sccc2C2CCCCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(F)c(C#N)c1,DDQCXIAMMABPEZ-UHFFFAOYSA-N
-rxn:5:227286:178295:227309,CCC(C)c1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)n1,OQIUTKUYOBALDC-UHFFFAOYSA-N
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-rxn:5:227312:178295:228563,CCC(C)c1ccc(-c2ccc(-c3cc(CC(C)C)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,HORMKODPORHNBC-UHFFFAOYSA-N
-rxn:5:227326:178295:227810,CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)OC)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,LAPKIWFGIPRBCT-UHFFFAOYSA-N
-rxn:5:227342:178295:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc(C(=O)OC)c(C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,CUTWTWCCCIGUIM-UHFFFAOYSA-N
-rxn:5:227353:178295:227822,COC(=O)C1(c2cc(-c3c(C)cccc3C(C)C)ccc2-c2c(C)cc(OC)cc2OC)CCC(=O)CC1,MUQIAFPSDKLXGN-UHFFFAOYSA-N
-rxn:5:227379:193972:228376,Cc1cc(-c2cccnc2N2CCCC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)c(C#N)c(F)c1,WAKREDMMNYCURU-UHFFFAOYSA-N
-rxn:5:227387:193972:228131,Cc1cc(-c2ccnc(N3CCCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(F)cc(CC#N)c1,KKYPJFCFXPXVDF-UHFFFAOYSA-N
-rxn:5:227390:180022:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,DIWSJEUYCBLSJI-UHFFFAOYSA-N
-rxn:5:227390:196969:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccnn1C1CCCCC1,MRFYRFCIXZYMOS-UHFFFAOYSA-N
-rxn:5:227562:190194:225589,COc1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(CN3CCSCC3)cc2)c1OC,VBUNNOFTDLSLEB-UHFFFAOYSA-N
-rxn:5:227568:178118:225674,COc1cc(F)c(-c2ccc(-c3cnc(C4CCCCC4)cc3F)cc2OCC2CCCCO2)c(OC)c1,PTOYGERCFJXYSY-UHFFFAOYSA-N
-rxn:5:227574:178226:225671,COc1c(F)ccc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCCCC3)ncc2F)c1OC,YFTJQEWUDXPYNS-UHFFFAOYSA-N
-rxn:5:227612:196858:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ncc1-c1cnn(C2CCCCO2)c1,MSTCELMTSVVGSP-UHFFFAOYSA-N
-rxn:5:227696:178295:227989,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(C(=O)OC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VOSGRLKOLNHQEZ-UHFFFAOYSA-N
-rxn:5:227706:178295:227077,CCC(C)c1ccc(-c2ccc(-c3cc(OC)cnc3C(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,RTCVKIYMDJLJQZ-UHFFFAOYSA-N
-rxn:5:227713:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(F)ccc2OC(F)F)c(C2(C(=O)OC)CCC(=O)CC2)c1,SAYMQOBFRYBLEB-UHFFFAOYSA-N
-rxn:5:227808:178295:227364,COC(=O)C1(c2cc(-c3ccc(OC)c(C)c3OC)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,RVULWBYQZPCCHV-UHFFFAOYSA-N
-rxn:5:227815:178295:227530,CCC(C)c1ccccc1-c1ccc(-c2cc(C(=O)OC)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,XAPKWPRYSSWFCL-UHFFFAOYSA-N
-rxn:5:227816:178295:227068,CCCc1ccc(-c2ccc(-c3ccc(CC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,MAGLMFLTXCULAI-UHFFFAOYSA-N
-rxn:5:227816:178295:227319,CCCc1ccc(-c2ccc(-c3cc(CC(C)C)ncc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,QCNYXMCQWAIETP-UHFFFAOYSA-N
-rxn:5:227818:178295:227522,CCC(C)c1cccc(-c2ccc(-c3ccc(C(=O)OC)nc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GQMGFNMZPMCTNO-UHFFFAOYSA-N
-rxn:5:227820:178295:227041,CCOc1cc(C)c(-c2ccc(-c3ccc(C(C)(C)C)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,MBLGFTBDUAIUPJ-UHFFFAOYSA-N
-rxn:5:227831:178295:227286,CCc1c(C)cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,DKBJFEPSCWJRJQ-UHFFFAOYSA-N
-rxn:5:227905:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccnc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,SICBPHDZSZUSNX-UHFFFAOYSA-N
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-rxn:5:227922:178295:227058,CCc1cc(OC)ccc1-c1ccc(-c2cc(C3CC3)ccc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,BXXOAMNPRFQEMS-UHFFFAOYSA-N
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-rxn:5:228131:193870:226366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCCCC3)c2)cc1-c1cc(F)cc(CC#N)c1,GDXZAKVWIHBTBK-UHFFFAOYSA-N
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-rxn:5:228176:178295:227540,COCc1ccc(-c2ccc(-c3cc(SC)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cc1F,FKTITKXOIQBMNY-UHFFFAOYSA-N
-rxn:5:228179:178295:227067,COCc1cc(F)cc(-c2ccc(-c3ccc(OC)cc3C3CC3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AKIDHHXGNZGBGQ-UHFFFAOYSA-N
-rxn:5:228181:178295:227287,COCc1cc(F)ccc1-c1ccc(-c2ccc(C(C)C)nc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,UVHDZGYPSBWOQR-UHFFFAOYSA-N
-rxn:5:228189:178295:227351,CCSc1ccc(F)c(-c2ccc(-c3cccc(C)c3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QDHJNUPHPJOIFS-UHFFFAOYSA-N
-rxn:5:228274:178295:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2cc(SC)c(C)cc2F)CCC(=O)CC1,AUFINOZLAIYMPY-UHFFFAOYSA-N
-rxn:5:228277:178295:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2c(OC)ccc(F)c2C)CCC(=O)CC1,HJSWQLXABXIBHD-UHFFFAOYSA-N
-rxn:5:228388:178295:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(F)F)ncc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MRJAXEBDCLDZAP-UHFFFAOYSA-N
-rxn:5:228396:178295:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2c(F)cc(OC)cc2F)CCC(=O)CC1,QBADOFJCQVRWHE-UHFFFAOYSA-N
-rxn:5:228505:178295:226772,CCCc1ccc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,ISCJDSMAQGAEHL-UHFFFAOYSA-N
-rxn:5:228507:178295:226580,CCCc1cccc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QRIXIASOXHAUJH-UHFFFAOYSA-N
-rxn:5:228562:178295:227312,CCC(C)c1csc(-c2ccc(-c3ccc(C(C)CC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GNABSAKJJGAUIY-UHFFFAOYSA-N
-rxn:5:228567:178295:226154,CCC(C)c1sccc1-c1ccc(-c2ccc(C(C)(C)C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,KLENSFMCZUFSAP-UHFFFAOYSA-N
-rxn:5:228567:178295:227288,CCC(C)c1sccc1-c1ccc(-c2ccccc2C(=O)N(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,KGVDAUDAOYUAIA-UHFFFAOYSA-N
-rxn:5:228573:193972:226366,Cc1cc(-c2ccc(C#N)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,ITPSRYUSBODGMC-UHFFFAOYSA-N
-rxn:5:228576:193972:226366,Cc1cc(-c2cc(C#N)ccc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCCCC2)c1,USXIRAQSPGTJMA-UHFFFAOYSA-N
-rxn:5:228579:193972:226366,Cc1ccc(C#N)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,INANGLPWCYBIAP-UHFFFAOYSA-N
-rxn:5:228597:193870:225849,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCCC3)cc2F)cc1-c1c(C)cccc1C#N,VHRGOCUVSLXCMO-UHFFFAOYSA-N
-rxn:5:228752:193870:225636,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(N3CCC(C)CC3)c2)cc1-c1cc(F)ccc1C#N,KDMYKDGVEHIHHT-UHFFFAOYSA-N
-rxn:5:228890:193972:226067,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)cc1,LEDNRAYVZMEZDB-UHFFFAOYSA-N
-rxn:5:228993:193972:225636,Cc1cc(-c2ccc(C#N)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,OCBJQDNBPGLWCT-UHFFFAOYSA-N
-rxn:5:229015:178295:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccsc2C(C)C)CCC(=O)CC1,JVEYUHCUSUUPTE-UHFFFAOYSA-N
-rxn:5:229026:193972:225577,Cc1cc(-c2cc(C)c(-c3ccc(N4CCCC4)cc3C#N)cc2S(=O)(=O)N2CCCCCC2)c(C)cn1,DJIXAKWGLXTYJB-UHFFFAOYSA-N
-rxn:5:229062:193972:226181,Cc1cc(-c2ccc(C#N)n2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,ANDWVUSAUJGUNX-UHFFFAOYSA-N
-rxn:5:229075:193870:225666,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)cc(N3CCCCC3)c2)cc1-c1cc(C)c(C#N)s1,NAEVATKGXVPDRA-UHFFFAOYSA-N
-rxn:4:173299:223577,CCOC(=O)CCOc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,REYRPEGOXDLQRI-UHFFFAOYSA-N
-rxn:4:173358:223748,CCOC(=O)CC(=O)c1c(OC)cccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,HODZCJBNMDSKQO-UHFFFAOYSA-N
-rxn:4:173593:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1,LKCQTZCQLBIUOA-UHFFFAOYSA-N
-rxn:4:173602:225827,COC(=O)C12CC(COc3ccc(-c4ccnc(N5CCN(C)CC5)c4)c(OC)c3)(C1)C2,WEVMQPXUBHPAEH-UHFFFAOYSA-N
-rxn:4:173636:224847,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)ccc1OC)C2=O,HYTUMFXVWFXBCR-UHFFFAOYSA-N
-rxn:4:173704:224078,COc1cccc2c(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,FSHGPJHDOMPQIM-UHFFFAOYSA-N
-rxn:4:173763:222539,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1,NPJLCZHLOKTMOO-UHFFFAOYSA-N
-rxn:4:173778:223646,CCOC(=O)c1c(OC(F)(F)F)cccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)cc1,IPIFKMMFEKNFMX-UHFFFAOYSA-N
-rxn:4:173834:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OCCOS(C)(=O)=O)cc1,ADEBJBKKPUZWND-UHFFFAOYSA-N
-rxn:4:173910:222545,COC(=O)C(C(=O)OC)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1,XFWPDCDPYJKBSU-UHFFFAOYSA-N
-rxn:4:173973:223776,COCCOc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)ccc1C(C)=O,MGDBMHDIMJAVMW-UHFFFAOYSA-N
-rxn:4:174013:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)cc(C(=O)OC)c3OC)cc2)CC1,PCMVMDABTTZTQH-MXVIHJGJSA-N
-rxn:4:174104:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC4(C(=O)OC)CC4)c(OC)c3)c(F)c2)CC1,JDQJPUYQBSGLOT-MEMLXQNLSA-N
-rxn:4:174104:224089,COC(=O)C1(Oc2ccc(-c3ccc(OCCN4CCC(C)CC4)cc3)cc2OC)CC1,TWTZQXLUYTUEFB-UHFFFAOYSA-N
-rxn:4:174159:224415,COC(=O)c1cc(F)c(OCC(C)C)c(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)c1,MAUYCDGLZRBKKS-UHFFFAOYSA-N
-rxn:4:174302:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(C)(C)C(=O)OCC)c(OC)c3)cc2)CC1,ZVRAKCFECLELJE-HZCBDIJESA-N
-rxn:4:174306:223889,CCOC(=O)CC1CC(c2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc2)C1,CEMHUYBMLZLWTR-UHFFFAOYSA-N
-rxn:4:174406:225196,COC(=O)C1(c2ccc(-c3cc(Cl)c(F)c(OC4CCCC4)c3)cc2)CC(OC)(OC)C1,JZDUBNQGNZXEGB-UHFFFAOYSA-N
-rxn:4:174490:224754,CC1(C)COC(CCCC(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCCCC3)c2)OC1,OGPNKNGKOLMEIL-UHFFFAOYSA-N
-rxn:4:174490:225903,CON(C)C(=O)c1cc(-c2cccc(C(=O)CCCC3OCC(C)(C)CO3)c2)ccc1F,WBIVKSWKAXXVEZ-UHFFFAOYSA-N
-rxn:4:174521:224420,Cc1cc2c(cc1-c1cc(C(=O)OC(C)(C)C)cc(-c3ccc(S(C)(=O)=O)cc3)c1)C(C)(C)CCC2(C)C,SSEKIDBKUPHZMH-UHFFFAOYSA-N
-rxn:4:174528:222913,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(CNS(=O)(=O)C2CC2)cc1,XINPJXLHUGKHMW-UHFFFAOYSA-N
-rxn:4:174528:223553,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1,JFWQGFVHDHJTQR-UHFFFAOYSA-N
-rxn:4:174603:223489,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc1)C2=O,ORYSVGVNDPMAGP-UHFFFAOYSA-N
-rxn:4:174662:224325,CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)ccc3-4)cc21,WAKLNAFOROKMIB-UHFFFAOYSA-N
-rxn:4:174663:223418,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2c[nH]cc3nccc2-3)cc1,IHYMZHPUEADFSE-LWMYCZQRSA-N
-rxn:4:175064:223529,CCOC(=O)c1c(OC)ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1F,UHNAHDKFVJNRCT-UHFFFAOYSA-N
-rxn:4:175306:223815,CC(C)CCOc1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c(F)cc1F,LAMNUFMHAUHKOZ-UHFFFAOYSA-N
-rxn:4:175497:223559,COC(=O)C(C)(C)Cc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,PIBQNQZCTPFGFE-UHFFFAOYSA-N
-rxn:4:175703:222538,COC(=O)CC1CC(c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)C1,XIPRPTRXIUCJBH-UHFFFAOYSA-N
-rxn:4:175734:224187,CC(C)(C)c1cc(-c2ccc(OCCN3CCCCC3)cc2F)ccc1OCC(F)(F)F,BYIGYTCGFMDDDS-UHFFFAOYSA-N
-rxn:4:176136:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccccc3COc3ccc(C(C)(C)C)cc3)cc21,YWIAHIKALICAOQ-UHFFFAOYSA-N
-rxn:4:176263:224719,CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)cc1)C2=O,KAAAPVVGTYQPOF-UHFFFAOYSA-N
-rxn:4:176308:223587,COc1cc(COc2ccc(F)c(-c3ccccc3C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)c2F)cc(OC)c1,QLJAXBSICXYZEJ-UHFFFAOYSA-N
-rxn:4:177374:223597,Fc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)ccc1OCC1OCCO1,MCHRMLNZBNUHLT-UHFFFAOYSA-N
-rxn:4:178288:224485,COC(=O)C1(c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CCC(=O)CC1,HPIIIBXKKBJKMX-UHFFFAOYSA-N
-rxn:4:178295:222778,COC(=O)C1(c2cc(Cl)ccc2-c2cncc(CNC(=O)OC(C)(C)C)c2)CCC(=O)CC1,DWIFPOMSVOPEJL-UHFFFAOYSA-N
-rxn:4:178337:223559,COC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c(C)c2C)c1,KZVVUGPABCMDMM-UHFFFAOYSA-N
-rxn:4:178364:224301,CC1(C)CC(=O)C(CC(=O)c2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(F)c3F)cc2)C(=O)C1,GAMKCGLOXQUXKQ-UHFFFAOYSA-N
-rxn:4:178364:225258,CCOC(=O)COc1cc(Cl)cc(-c2ccc(C(=O)CC3C(=O)CC(C)(C)CC3=O)cc2)c1,LUGINVDQCBNOLT-UHFFFAOYSA-N
-rxn:4:178381:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(F)c1,VYPYKYFWLDHHCN-UHFFFAOYSA-N
-rxn:4:178384:225525,CCOC(=O)CCc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,RKVFGAKLILLUDY-UHFFFAOYSA-N
-rxn:4:178384:228422,COc1c(Cl)ccc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,MGRKBQNPYDZWIM-UHFFFAOYSA-N
-rxn:4:178384:228600,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1,JWLPWMFJVFRYJG-UHFFFAOYSA-N
-rxn:4:178384:228907,COc1nccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,RJBNJTJWIGXTJL-UHFFFAOYSA-N
-rxn:4:178384:229040,Cc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,NHIPPJIMBMIMMK-UHFFFAOYSA-N
-rxn:4:178597:227307,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(OC(C)C)n1,HVQCVCZJCOLNML-UHFFFAOYSA-N
-rxn:4:178598:224885,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccccc2CN2CCC(C)CC2)c1,ILIUMBIEXFUYLS-UHFFFAOYSA-N
-rxn:4:178831:223492,Cc1cc(-c2ccccc2CC(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PEEQQQUCISFXLM-UHFFFAOYSA-N
-rxn:4:180336:222447,COc1ccc2c(c1-c1cc(C)ccc1OC1CCCC1)N=C(NC(=O)OC(C)(C)C)C2,GMHVRWNZLYSDNV-UHFFFAOYSA-N
-rxn:4:180509:225217,COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(-c2cnc(N3CCCC(C)C3)cc2F)c1,XGLMTDLCWDGFIP-UHFFFAOYSA-N
-rxn:4:180531:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc21,ZQAPPKLPFPNKFH-UHFFFAOYSA-N
-rxn:4:180635:223712,COC(=O)c1cc2c(cc1-c1ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c1)OCCO2,IMDQRGKJTQRWQM-UHFFFAOYSA-N
-rxn:4:180638:222466,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)ccc2OC1,LHYLEEIHABSBFJ-UHFFFAOYSA-N
-rxn:4:180691:222602,COc1cc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)c2c(c1OC)C(=O)CC2,LOFGESIEZUSNLJ-UHFFFAOYSA-N
-rxn:4:180734:223520,CC(c1ccc(-c2ccc3oc(C(=O)C(C)(C)C)cc3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,MPHOIEKPQRONNS-UHFFFAOYSA-N
-rxn:4:180792:223815,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cc1C2=O,AWZBAHXTPPXTCQ-UHFFFAOYSA-N
-rxn:4:180792:224563,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C)cc3O[Si](C)(C)C(C)(C)C)cc1C2=O,SJFBEBRHUMMPIV-UHFFFAOYSA-N
-rxn:4:180815:225208,COc1ccc(-c2cnc(N3CCCC(C)C3)nc2C)cc1C12CC3CC(CC(C3)C1)C2,KYRWVQWWDSRQOC-UHFFFAOYSA-N
-rxn:4:180855:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c(C(F)(F)F)c1,AWXPQBSXMKKNMQ-UHFFFAOYSA-N
-rxn:4:181231:223527,CC(=O)c1cc(Cl)cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1F,IUXJWISBNZYBGP-UHFFFAOYSA-N
-rxn:4:182106:224763,Cc1c(F)c(-c2cc(Cl)ccc2C(=O)N2CCOCC2)cc(C2OCC(C)(C)CO2)c1F,HZBCJWWKIOZLRC-UHFFFAOYSA-N
-rxn:4:182354:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(OC)c4c3CC3(CCCC3)O4)c2)CC1,HLHIMULTLDLIKN-UHFFFAOYSA-N
-rxn:4:182372:223939,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc1C2=O,ZSRUJNPNHXNVPS-BFZJZIARSA-N
-rxn:4:182372:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(=O)[C@]3(CC[C@H](OC)CC3)C4)c(F)c2)CC1,DZYISTDEPIOYGI-UEZMCPDZSA-N
-rxn:4:182374:224060,COc1c(C(C)(C)C)cc(-c2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)cc1C(C)(C)C,XPXFZGPFHKDVPE-UHFFFAOYSA-N
-rxn:4:182376:224589,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(F)cc4CN4CCC(C)CC4)cc3C2=O)C[C@@H]1C,MXOMWDWBRHGMCL-CAKCGFARSA-N
-rxn:4:182376:224916,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCCC(C)C5)cc4C)cc3C2=O)C[C@@H]1C,QJYXGDPRWDWFAM-NZZYYLIDSA-N
-rxn:4:182376:225671,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C5CCCCC5)ncc4F)cc3C2=O)C[C@@H]1C,BDGXMLYKDKABHM-OSELZAKSSA-N
-rxn:4:183271:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCO4)c2)cc1,PGUJAMNQINNGNV-UHFFFAOYSA-N
-rxn:4:183271:224305,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c(F)c1Cl,XFIOMVZSBFNFFT-UHFFFAOYSA-N
-rxn:4:183272:228424,COc1cc(F)c(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,QUNVOMFMFYTDBL-UHFFFAOYSA-N
-rxn:4:183274:227557,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(OC)c1Cl,HHVATPFQIVXZEG-UHFFFAOYSA-N
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-rxn:4:184913:224589,COC(=O)C1CN(Cc2ccc(-c3ccc(F)cc3CN3CCC(C)CC3)cc2OC)C1,NDHBTHQBEZYKEJ-UHFFFAOYSA-N
-rxn:4:184941:224373,COc1ccc(-c2ccccc2OCCCN2CCOCC2)cc1S(=O)(=O)N1CCCC1,PUGGZISVIJVAFQ-UHFFFAOYSA-N
-rxn:4:185061:225271,COC(=O)c1cc(OC)c(OC)cc1-c1cc(Cl)cc(F)c1OCCN1CCCC(C(F)(F)F)C1,VGBRLUZLUTZRFE-UHFFFAOYSA-N
-rxn:4:185092:222826,COC1CCN(CCOc2cccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)CC1,IVIBQVNUYSHSQB-UHFFFAOYSA-N
-rxn:4:185156:226844,COC(=O)c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1CN1CCC(C(F)(F)F)CC1,YPPOAFSVZUHXOR-UHFFFAOYSA-N
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-rxn:4:185384:222692,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccc(F)c(C(=O)Nc3ccccn3)c2)C1,MXJAPEVXVDPRBG-UHFFFAOYSA-N
-rxn:4:185403:222948,COc1cc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,ZGUTXRODTNLJKX-UHFFFAOYSA-N
-rxn:4:185404:223858,COc1cc2c(cc1-c1ccc(C3CC3)cc1C1CCN(C(=O)OC(C)(C)C)C1)-c1ccccc1C2(C)C,LQAHNACIJIJCBP-UHFFFAOYSA-N
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-rxn:4:185420:223692,CC(C)(C)OC(=O)N1CCOC(c2cc(C3CC3)ccc2-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)C1,ACPITEUUEJNVGZ-UHFFFAOYSA-N
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-rxn:4:185512:224172,Cc1ccc(-c2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1OCCCN1C(=O)c2ccccc2C1=O,DFUNOYDWSWPJFZ-UHFFFAOYSA-N
-rxn:4:185535:223918,COC(=O)[C@@H]1Cc2ccc(-c3cc(C(=O)N(C)C4CCCCC4)ccc3F)cc2CN1C(=O)OC(C)(C)C,RDGGJKVZIAJIAQ-SANMLTNESA-N
-rxn:4:185542:225126,CN(CC1OCCc2ccc(-c3cc(F)ccc3OCC3CCCO3)cc21)C(=O)OC(C)(C)C,BOETUQWICUPWPO-UHFFFAOYSA-N
-rxn:4:185543:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CCOC3CN(C)C(=O)OC(C)(C)C)c1,LYPFOQCNEMDOOB-UHFFFAOYSA-N
-rxn:4:185811:223507,COC(=O)Cc1c(C#N)ccc(F)c1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IVAINXJXYFGDHX-UHFFFAOYSA-N
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-rxn:4:186734:224691,O=C(COc1cccc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)c1)N1CCC(F)(F)C1,DAVORXWKSBMYCS-UHFFFAOYSA-N
-rxn:4:186958:222540,Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(OCC(=O)N2CCCC2)c1,AQMBBRPRWPJNGZ-UHFFFAOYSA-N
-rxn:4:187061:224663,Cc1ccc(OCC(=O)N2CCOCC2)c(-c2ccc(CN3CCN(C)CC3)c(F)c2)c1,MLRLAFSMCCTENC-UHFFFAOYSA-N
-rxn:4:187075:222621,COc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)c(OC)c1C(=O)N1CCCC1,SHJHJKJANJLIRW-UHFFFAOYSA-N
-rxn:4:187210:222465,COC(=O)C1CCN(Cc2cc(F)ccc2-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)CC1,YNQXSTXGWXJGBO-UHFFFAOYSA-N
-rxn:4:187287:222635,Cc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1cccc([C@H](C)NC(=O)OC(C)(C)C)c1,NOTAZZDSZCSESY-FQEVSTJZSA-N
-rxn:4:187315:222718,CCOc1ccc(CN2CCC(F)(F)CC2)cc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,FNRHABYORSIXRW-UHFFFAOYSA-N
-rxn:4:187336:225222,COc1cc(-c2cc(N3CCCCC3C)ncc2F)cc(OC)c1C(=O)N1CCCC(F)(F)C1,OEBOKVHVHSKDMT-UHFFFAOYSA-N
-rxn:4:187365:222826,CCOc1cc(OC2CCN(C)CC2)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,QCFDIXRBSIUOBO-UHFFFAOYSA-N
-rxn:4:187380:222910,CCCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCCC2C)c(C)c1,FPWICCUIMATHIS-UHFFFAOYSA-N
-rxn:4:187424:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)OC)c(CN4CCCC(C)C4)c3)c(F)c2)CC1,LBUYVAIQUZZWOH-UHFFFAOYSA-N
-rxn:4:187426:225035,COC(=O)c1cc(-c2cc(F)ccc2OC2CCCCC2)ccc1CN1CCC(C)CC1,YYKITZUFIPZMGS-UHFFFAOYSA-N
-rxn:4:187474:223929,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1,YTKFNAWWHRGKON-UHFFFAOYSA-N
-rxn:4:187497:223951,CN1CCN(CCOc2ccc(-c3cccc(C4COCCN4C(=O)OC(C)(C)C)c3)cc2F)CC1,SBOVYNJUAZYEGK-UHFFFAOYSA-N
-rxn:4:187543:224882,COc1cc(-c2ccc(CN3CCCCCC3)cc2)cc(OC)c1CN1CCCC(C)C1,FPLGKQQPDSAJQL-UHFFFAOYSA-N
-rxn:4:187577:226652,COC(=O)c1cc(-c2cc(C)nn2C2CCCCO2)cc(N(C)C2CCCCC2)c1C,CIAJEHQJAZINAR-UHFFFAOYSA-N
-rxn:4:187624:223595,CC1CCCN(Cc2c(OC(C)C)cccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)C1,SYHMNVPWDDWANO-UHFFFAOYSA-N
-rxn:4:187691:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c(F)c2)CC1,NNXGAFUTXICPLT-UHFFFAOYSA-N
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-rxn:4:187916:225466,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(N2CCCCC2C)cc1,FUKZFUKRRMYENO-UHFFFAOYSA-N
-rxn:4:187945:224159,COC(=O)C1=Cc2cc(-c3cccc4c3ccn4C(=O)OC(C)(C)C)ccc2N(CC(C)C)CCC1,DKRXVYRWJWUBMW-UHFFFAOYSA-N
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-rxn:4:187981:223588,Cc1ccc(SC2=CC(=NS(=O)(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)c3ccccc3C2=O)cc1,IVLACSZIOAWUNK-UHFFFAOYSA-N
-rxn:4:188014:223239,O=C(Oc1ccccc1N1C(=O)C2C3CCC(C3)C2C1=O)c1ccc(-c2cncc(C3CCCN3)c2)cc1,GKNQJMDWRQVPDR-UHFFFAOYSA-N
-rxn:4:188080:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(F)c(F)c(OCC#N)c3)cc12,AZLZTHQBCBREGG-UHFFFAOYSA-N
-rxn:4:188472:223754,COC(=O)c1nc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)ccc1C(F)(F)F,NPYYPVOYDCMNSZ-UHFFFAOYSA-N
-rxn:4:189003:223776,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,YJLPUJABNCQTDI-UHFFFAOYSA-N
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-rxn:4:189267:222447,COc1ccc2c(c1-c1cc(C(=O)OC(C)(C)C)ccn1)N=C(NC(=O)OC(C)(C)C)C2,UGHGFNPZBSLVKD-UHFFFAOYSA-N
-rxn:4:189731:224494,O=C(c1cc(-c2ccc(CCOC3CCCCO3)cc2)cc(C(F)(F)F)c1)N1CCCC1,WAMXDSBFCJQSJG-UHFFFAOYSA-N
-rxn:4:189773:223490,Cc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1CN(C)C1CC1,DNEYCZAFZHIUKQ-UHFFFAOYSA-N
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-rxn:4:189849:222724,CC(C(=O)c1ccc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1)N1C(=O)CCC1=O,OOZZCEOUKWQIEH-UHFFFAOYSA-N
-rxn:4:189906:223588,COc1cc(CN2CCCC2)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,HYTWZKKMEZFQAL-UHFFFAOYSA-N
-rxn:4:189926:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CS(=O)(=O)N2CCOCC2)cc1,JRJVJCGRUVKCDD-UHFFFAOYSA-N
-rxn:4:189989:223712,COc1ccc(-c2cccc(CN3CCOCC3)c2OC)cc1C12CC3CC(CC(C3)C1)C2,LVDAOJKISQLVRE-UHFFFAOYSA-N
-rxn:4:190075:225180,O=C(c1ccc(-c2ccc(C(=O)N3CCCC(C(F)(F)F)C3)cc2F)c(Cl)c1)N1CCCC1,VGKFAHKKYNOIKE-UHFFFAOYSA-N
-rxn:4:190084:226844,O=C(c1c(-c2ccnc(C(=O)C(F)(F)F)c2)cccc1C(F)(F)F)N1CCCC(F)(F)C1,SQNDRFWNBRZBQK-UHFFFAOYSA-N
-rxn:4:190101:223712,COc1ccc(-c2cc(CCN3CCCCC3)ccc2F)cc1C12CC3CC(CC(C3)C1)C2,LDAXOCFWFMCPPP-UHFFFAOYSA-N
-rxn:4:190119:223508,COC(=O)c1cc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc(N2CCCCC2)c1,PUBLJYRKXUJBTK-UHFFFAOYSA-N
-rxn:4:190129:222514,COc1ccc(-c2ccc(Cl)c(CCN3CCC(F)(F)CC3)c2)cc1S(=O)(=O)NC1CCCCC1,ZGXNPGJTCHOMHF-UHFFFAOYSA-N
-rxn:4:190165:223055,Cc1nc(N2CCNCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,ZMTDZRYVPQJCDZ-UHFFFAOYSA-N
-rxn:4:190178:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)ccn1)C(F)(F)F,NMUGGMSACFWJJZ-UHFFFAOYSA-N
-rxn:4:190213:222607,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1,STVXBSCGFHPDJQ-UHFFFAOYSA-N
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-rxn:4:190269:224656,COc1ccc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2F)c(F)c1OC1CCCC1,HHADQRZRRCRFOD-UHFFFAOYSA-N
-rxn:4:190272:223573,CC1CCCN(C(=O)Cc2ccc(F)cc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1,PKLOOHWPPGKIPX-UHFFFAOYSA-N
-rxn:4:190376:222913,COc1ccc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCCCCC1,KTRBCWQKKACPLZ-UHFFFAOYSA-N
-rxn:4:190391:223659,COc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,JVCCCSGGINYZIU-UHFFFAOYSA-N
-rxn:4:190433:225047,Cc1cc(-c2cnc(N3CCC(C)CC3)c(C)c2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,OUHUDICWAXFJPX-UHFFFAOYSA-N
-rxn:4:190433:225829,Cc1cc(-c2cnc(N3CCC(C)CC3)nc2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,SYYDPXBHVKUSCS-UHFFFAOYSA-N
-rxn:4:190486:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(C2CCCN2CC2CCCCC2)cc1,LMRWMDIDOIFRDB-UHFFFAOYSA-N
-rxn:4:190496:223775,COc1ccc2c(c1)c(-c1cc(CN3CCC(C)CC3)cc(C(C)(C)C)c1)cn2C(=O)OC(C)(C)C,RGPYCRWBDCYQFD-UHFFFAOYSA-N
-rxn:4:190662:222466,CCOC(=O)C1CCCc2sc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)nc21,HNJDPBBNNIBICX-UHFFFAOYSA-N
-rxn:4:190785:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1CC(=O)N1CC2CC1CS2,ZPYAPCOSROEICN-UHFFFAOYSA-N
-rxn:4:190894:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc2c1c(C)cn2C(C)C,NDWWGJJPXJUOHD-UHFFFAOYSA-N
-rxn:4:190930:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3=O)cc1,QNNSHBFBGWJQSJ-UHFFFAOYSA-N
-rxn:4:190951:224421,CC(C)c1cc(C(C)C)c(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c(C(C)C)c1,PMZJLJRXBAUMCM-UHFFFAOYSA-N
-rxn:4:190968:225336,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(COCC(F)(F)F)cc3F)c(F)cc2C1,DUGZKVLGODTSBL-UHFFFAOYSA-N
-rxn:4:190987:222948,C=C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1,GNHIYBLPZXLMNV-UHFFFAOYSA-N
-rxn:4:191008:222971,CC(C)(C)OC(=O)N1C(=O)c2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)ccc2C1(C)C,LMUBADHWAGRZFP-UHFFFAOYSA-N
-rxn:4:191032:223034,CC(C)(C)NC(=O)c1cncc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,KDPFIUSRGCSLTC-UHFFFAOYSA-N
-rxn:4:191041:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,ANNGILRRMSOXGA-UHFFFAOYSA-N
-rxn:4:191041:224570,CC(c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)cc1)N1CCN(C)CC1,IMFLAHBGPFKJEA-UHFFFAOYSA-N
-rxn:4:191046:224283,COc1cc(OC)cc(N2Cc3cc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)ccc3OCC2=O)c1,TZYOQNULJMEBIS-UHFFFAOYSA-N
-rxn:4:191062:222389,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,KXSVUGHZDYRLNH-UHFFFAOYSA-N
-rxn:4:191062:226324,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccnc1OC1CCCC1,YUZXVHFIXYEOOD-UHFFFAOYSA-N
-rxn:4:191062:227403,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(N2CCCCC2)s1,BYVDADMYHRHSCW-UHFFFAOYSA-N
-rxn:4:191063:225805,CC(c1ccc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)s1)N1CCOCC1,SNDVMXHBTMZWDE-UHFFFAOYSA-N
-rxn:4:191072:226925,Cc1cc(C2CC2)cc(-c2cc3c(s2)C2(CCN(C(=O)OC(C)(C)C)CC2)OC3)c1C,LHEADUQPWCLHDT-UHFFFAOYSA-N
-rxn:4:191086:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(N4C=C(C(=O)c5ccc(Cl)cc5)S(=O)(=O)c5ccc(F)cc54)c3)c(F)c2)CC1,YDYUOLZJMBOSQA-UHFFFAOYSA-N
-rxn:4:191088:223107,COc1ncc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1NS(C)(=O)=O,KJWSAPNLIKBNMG-UHFFFAOYSA-N
-rxn:4:191097:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,SQHLHAHOTRVMCH-UHFFFAOYSA-N
-rxn:4:191099:224883,CC(c1ccc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1)N1CCCCC1,AGKYJYQMDXYKHP-UHFFFAOYSA-N
-rxn:4:191104:223801,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)cc12,BKGXPBYZGKNJLS-UHFFFAOYSA-N
-rxn:4:191117:227038,COc1ccc(C(C)C)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,GTYNLXHQNOGKPD-UHFFFAOYSA-N
-rxn:4:191120:226727,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3cccc(SCC(F)(F)F)c3)cc1C2=O,ZFZUYDCWFKLESV-UHFFFAOYSA-N
-rxn:4:191194:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)c1,FZVUPPVPKKUNNJ-UHFFFAOYSA-N
-rxn:4:191195:224922,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cccc3c1Sc1ccccc1S3)c1c2CCC1,JWHBXWWAVBZFRS-UHFFFAOYSA-N
-rxn:4:191195:226080,COc1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c2ccccc12,OWAIYJRARYOYLK-UHFFFAOYSA-N
-rxn:4:192062:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)N2CCC2)o1,ZJZZPRJVZGIGTD-UHFFFAOYSA-N
-rxn:4:192213:223540,COc1cc(S(N)(=O)=O)ccc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,GVVKUZHITBMNFL-UHFFFAOYSA-N
-rxn:4:192960:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2CCOC2)c(C(F)(F)F)n1,IDZWSETVJOZLPU-UHFFFAOYSA-N
-rxn:4:193104:223789,CCc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(=O)OC)c2)ccc1N1C(=O)C=CC1=O,JCGILDCHZJRVRK-UHFFFAOYSA-N
-rxn:4:193230:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1ccc(C(=O)N2CCOCC2)c(Cl)c1,KPYSVTRJKLUERN-UHFFFAOYSA-N
-rxn:4:193349:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(OC4CCCCC4)c(F)c3)c2)CC1,OZEQLTCBLBWXFW-UHFFFAOYSA-N
-rxn:4:193457:223811,COc1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1C1CCCCO1,JXAYXAKLYHSRKB-UHFFFAOYSA-N
-rxn:4:193506:222724,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2Cl)CC1,QOQPGAJCTZVOQW-UHFFFAOYSA-N
-rxn:4:193510:222724,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cc2F)CC1,KXMXSGCKFYMEGC-UHFFFAOYSA-N
-rxn:4:193518:222693,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1,YHYIAWLAUCZTGJ-UHFFFAOYSA-N
-rxn:4:193518:222850,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CCNCC3)ccc2C#N)cc1,ZSEBWYCMMVKZCE-UHFFFAOYSA-N
-rxn:4:193518:224155,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1,KHJBCRZAARCENM-UHFFFAOYSA-N
-rxn:4:193628:224750,O=C(c1ccc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)o1)N1CCC2(CC1)CC2(F)F,XJDBULCAGJXYQH-UHFFFAOYSA-N
-rxn:4:193667:223712,COc1ccc(-c2cccc(CN3CCOC[C@H]3C)c2)cc1C12CC3CC(CC(C3)C1)C2,GHXIKMQPGUYOJE-FWMRXGEISA-N
-rxn:4:193674:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(N4CCCC4)ccc3C3CC3)c2)CC1,IVJDEYKLDQWKBY-UHFFFAOYSA-N
-rxn:4:193697:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2C=CN(S(C)(=O)=O)CC2)cc1,NNYIAFOFQMXKHR-UHFFFAOYSA-N
-rxn:4:193758:224187,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(OCCN4CCCCC4)cc3F)c2)C1,AIAZQEVYABILBJ-UHFFFAOYSA-N
-rxn:4:193763:223814,CC1CCCN(C(=O)c2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)c2F)C1,HJVQNFNHUYIACJ-UHFFFAOYSA-N
-rxn:4:193832:223508,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,IMEANARKHFPFQW-UHFFFAOYSA-N
-rxn:4:193846:222724,Cc1cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc(C)c1S(=O)(=O)N1CCCC1,GRWPANHRVZDYFQ-UHFFFAOYSA-N
-rxn:4:193864:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCCCC4=O)c3)c3ccccc23)CC1,ZDEGFCMCVZCFCD-UHFFFAOYSA-N
-rxn:4:193864:224127,CCN1CCN(C(C)c2ccc(-c3cc(C4CC4)cc(N4CCCCC4=O)c3)cc2)CC1,WVOPYQUPKRNCCY-UHFFFAOYSA-N
-rxn:4:193867:224656,COc1ccc(-c2cc(Cl)cc(C3(N4CCC(=O)CC4)CC3)c2)c(F)c1OC1CCCC1,IOSBYNHYRNVMSD-UHFFFAOYSA-N
-rxn:4:193871:224312,CN1CCN(C(=O)c2cc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3Cl)ccc2F)CC1,YQZQMQZTVQUGPA-UHFFFAOYSA-N
-rxn:4:193885:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC4(CC3)CC4(F)F)c2)cc1,UCLCKSXCWIQOKP-UHFFFAOYSA-N
-rxn:4:193901:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C2CC2)cc(N2CCCCC2)c1,WLASETMWQCGFOF-UHFFFAOYSA-N
-rxn:4:193918:223508,Cc1ccc(C(=O)N2CCC(C)CC2)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,YQTJWRRCQWDNCZ-UHFFFAOYSA-N
-rxn:4:193943:223712,COc1ccc(-c2cccc(C(C)N3CCCCC3C)c2)cc1C12CC3CC(CC(C3)C1)C2,CISCAXNIIYKROS-UHFFFAOYSA-N
-rxn:4:193966:223776,Cc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,ZYWKHHUTTVCMDK-UHFFFAOYSA-N
-rxn:4:193990:223105,CNS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(=C4CCC4)CC3)cc2)c(F)cc1C,ZMIIKKKYGNGLCV-UHFFFAOYSA-N
-rxn:4:193992:225008,COC1CCN(c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3C)cc2)CC1,BFXSEMOBVZAEHW-UHFFFAOYSA-N
-rxn:4:194000:225313,Cc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1-c1ccc(N2CCN(C)CC2)nc1F,PFTUZGPMQBLUAY-UHFFFAOYSA-N
-rxn:4:194461:223636,COC(=O)C1(C)CCc2c(cncc2-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)C1=O,RQJVKWFRHSIVDV-UHFFFAOYSA-N
-rxn:4:194572:225176,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(CN2CCOCC2)c(Cl)c1,USOICVYBFNNGGF-UHFFFAOYSA-N
-rxn:4:194588:222545,CC(C)C(=O)N1CCc2c(cccc2-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)C1,NTUITPKIEANUTF-UHFFFAOYSA-N
-rxn:4:194649:223074,O=C(C1=Cc2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc2OC=C1)N1CCOCC1,JHHYAOCRHYMQKW-UHFFFAOYSA-N
-rxn:4:194682:223527,Cc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)ccc32)c(C)c1,SCCIUOJHZSEVEA-UHFFFAOYSA-N
-rxn:4:194731:223813,COC1CCN(C2CCc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cc32)CC1,XUDGULOLNHXAJS-UHFFFAOYSA-N
-rxn:4:194734:222624,CC(C)Cc1cc(-c2ccc3cc(C4([N+](=O)[O-])COC(C)(C)OC4)ccc3c2)cc(C2CCNCC2)n1,VHYKPTIYDRMRKH-UHFFFAOYSA-N
-rxn:4:194785:224582,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCN(C6CC6)CC5)c4)cc3)CC2)Oc2ccccc21,KZQLRMZZKZEKSZ-UHFFFAOYSA-N
-rxn:4:194785:224991,O=C1CC2(CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)nc(N5CCCC5)c4)cc3)CC2)Oc2ccccc21,VVLUUHJRGAGZJI-UHFFFAOYSA-N
-rxn:4:194810:222888,COC(=O)C1=C2CCCN2c2cc(-c3ccc(CN4CCNCC4)c(Cl)c3)ccc2S1(=O)=O,SEQBSDBEBLGISK-UHFFFAOYSA-N
-rxn:4:197056:222466,CC1CCN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(F)c2F)CC1,XBKFYMBINMMUPE-UHFFFAOYSA-N
-rxn:4:197899:223841,Cc1cc(F)c(-c2ccc(N3CC4C(C3)C4(C)C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,MWWJUPNYBDTVQW-UHFFFAOYSA-N
-rxn:4:197914:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc4c3CN(C3CCOCC3)C4=O)c2)CC1,REXICOGEVJCHAR-UHFFFAOYSA-N
-rxn:4:199539:224704,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)cc1,ANAGRSBFDKWLQQ-UHFFFAOYSA-N
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-rxn:4:202167:225507,COC(=O)C1CCc2cc(-c3ccc(CN4CCCN(S(=O)(=O)C5CC5)CC4)cc3)ccc21,HMCWCTRYMUTUTR-UHFFFAOYSA-N
-rxn:4:202170:224666,CN1CCN(Cc2cc(-c3ccccc3CN3CCOC(C(=O)N4CCCC4)C3)ccc2F)CC1,DFSZKKWWLXEUNU-UHFFFAOYSA-N
-rxn:4:202195:227501,O=C(C1CC=CCC1)N1CCC(Oc2ncccc2-c2ccc(C=C[N+](=O)[O-])cc2)CC1,AIDLQXSBCLKXNL-UHFFFAOYSA-N
-rxn:4:202284:223138,COc1ccc(-c2ccnc(C3CCNCC3)c2)cc1CN1CCC(N2CCCC2)CC1,VGKPURHLQCLGIN-UHFFFAOYSA-N
-rxn:4:202284:224966,COc1ccc(-c2ccc(OCC3CCOCC3)cc2)cc1CN1CCC(N2CCCC2)CC1,NNJSXAKTMOEKHJ-UHFFFAOYSA-N
-rxn:4:202285:225126,COC1CCN(Cc2ccc(-c3cc(F)ccc3OCC3CCCO3)cc2N2CCCC2)CC1,IMXFRCNWAJIAFE-UHFFFAOYSA-N
-rxn:4:202290:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(N3CCC(OC)C3)CC2)cc1,UDKUJVXTBLFUKD-UHFFFAOYSA-N
-rxn:4:202309:227496,CCN(C)c1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(N3CCOCC3)c2)cn1,FPCDDSKPMPJVCB-UHFFFAOYSA-N
-rxn:4:202328:225132,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(-n4ccnc4C)cc3C#N)CC2)CC1,VVTJSDDSDKJJRT-UHFFFAOYSA-N
-rxn:4:202328:225137,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(-n4cc(C)cn4)cc3C#N)CC2)CC1,JBDGYYJMYZHRQU-UHFFFAOYSA-N
-rxn:4:202328:228516,CCc1cc(C)cc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)c1,ISUNMDRCWDFXDN-UHFFFAOYSA-N
-rxn:4:202329:225867,COc1cc(C)c(-c2cnc(Cl)c(N3CCCCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,MVHJQQJWLQXDMI-UHFFFAOYSA-N
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-rxn:4:202355:226174,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3ccc(C4CCCCC4)nc3)c2C)CC1,MUIGYJIBOYWAOJ-UHFFFAOYSA-N
-rxn:4:202648:225212,CN1CCN(c2cc(F)cc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)c2)CC1,PMXYLJWCXULMCM-UHFFFAOYSA-N
-rxn:4:202648:225294,CCN1CCN(c2ncc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)cn2)CC1,OYDYHFZVGOBDBQ-UHFFFAOYSA-N
-rxn:4:202648:225461,Cc1cc(N2CCCCC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1,YDSFPIJCIOPYHC-UHFFFAOYSA-N
-rxn:4:202648:226425,CC1CCCCN1c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)s1,HYEVKRVTYVDOIN-UHFFFAOYSA-N
-rxn:4:202679:224835,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)nc(Cl)c21,SUSJOYSDJAFVHL-UHFFFAOYSA-N
-rxn:4:202690:222448,CC1Oc2ccc(-c3cc(C(=O)NCc4ccccc4)cc([N+](=O)[O-])c3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,LGUFPFPTYPEKNH-UHFFFAOYSA-N
-rxn:4:202732:224391,COc1ccc2[nH]cc(CCN3Cc4cc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C)ccc4OC(C)C3=O)c2c1,FISNEDVFCJKNBS-UHFFFAOYSA-N
-rxn:4:202741:223637,CC1CCCN(c2ccc3cccc(OCc4ccc(-c5ccccc5C5CCCN(C(=O)OC(C)(C)C)C5)cc4)c3n2)C1,VEFPNMZHFFSFPL-UHFFFAOYSA-N
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-rxn:4:202818:222601,Cc1ccc(C2Oc3ccc(-c4cccc5sc(NC(=O)OC(C)(C)C)nc45)cc3C3CC(c4ccc(OC(C)C)cc4)=NN32)cc1,MWXUAPPMCREKLX-UHFFFAOYSA-N
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-rxn:4:203005:223530,CCn1cc(C(=O)OC)c(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)n1,VPEQELMALXCQEB-UHFFFAOYSA-N
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-rxn:4:203464:222630,COC(=O)c1nc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)sc1N1CCOCC1,RYYSPDPWKHCRFZ-UHFFFAOYSA-N
-rxn:4:203639:223974,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)NN4CCSCC4)cc3)c(C(F)(F)F)c2)CC1,QUVBFXSWNBCQHL-UHFFFAOYSA-N
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-rxn:4:203708:224777,O=C(c1ccccc1-c1cnc(C2CCCC2)c(C(F)(F)F)c1)N1CC(N2C(=O)COC2=O)C1,HAYFLKNICKAMQD-UHFFFAOYSA-N
-rxn:4:203712:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,VUVRHMLXWPQEHY-UHFFFAOYSA-N
-rxn:4:203712:224771,Cc1ccc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)cc1S(=O)(=O)N1CCCC1,PVBSQCCRYXXDBK-UHFFFAOYSA-N
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-rxn:4:203738:224022,COC1CCN(C(=O)c2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2Cl)CC1,IQPCXCAYNDUJQN-UHFFFAOYSA-N
-rxn:4:203738:224486,COC1CCN(C(=O)c2ncc(-c3cccc(C(=O)N(C(C)C)C(C)C)c3)cc2Cl)CC1,MOHLQIAGQFTWMH-UHFFFAOYSA-N
-rxn:4:203887:222694,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2)CC1,MUBYTSLURWNWCD-UHFFFAOYSA-N
-rxn:4:203906:224101,COC(=O)c1cc(F)c(N2CCN(C)CC2)cc1-c1cccc(OCCN2CCC(C)CC2)c1,CLYJUPRNQQYGRZ-UHFFFAOYSA-N
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-rxn:4:203937:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,NJBVTLSKQXFNGB-UHFFFAOYSA-N
-rxn:4:203942:224986,COc1cc(OC)c(-c2ccc(N3CCCCC3)cc2C#N)cc1C=C1C(=O)N(C)C(=S)N1C,FCBGDIWNBGWAMS-UHFFFAOYSA-N
-rxn:4:203943:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(-c4csc(C(C#N)=C5CCCCC5)n4)cc3)c2)CC1,ITLRHEDXVKMRHK-UHFFFAOYSA-N
-rxn:4:203955:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(C(=O)N4CCC(N(C)C)CC4)c3)c2)CC1,IFKKACFNHBLGTR-UHFFFAOYSA-N
-rxn:4:203976:226395,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2Cl)CC1,UQXJHCXCJWPEPP-UHFFFAOYSA-N
-rxn:4:203987:228292,O=C(c1cc(-c2ccnc3c2OCCO3)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,GCCATGXTSWFYGE-UHFFFAOYSA-N
-rxn:4:203993:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3)c(F)c2)CC1,MYUOJDFQSJGGDB-HCGLCNNCSA-N
-rxn:4:204004:222518,CC(C)N1CCN(Cc2cc(Cl)ccc2-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)CC1,NORBQABRWAZMET-UHFFFAOYSA-N
-rxn:4:204011:225223,CC1CCN(c2cc(F)c(-c3ccc(S(=O)(=O)N4CCC(N(C)C)CC4)cc3)cn2)CC1,LMDGKOQIZNMVCW-UHFFFAOYSA-N
-rxn:4:204012:225223,CC1CCN(c2cc(F)c(-c3cccc(S(=O)(=O)N4CCC(N(C)C)CC4)c3)cn2)CC1,CILXVLHUVXGHTQ-UHFFFAOYSA-N
-rxn:4:204012:225294,CCN1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC(N(C)C)CC4)c3)cn2)CC1,HBUNNTMGQNJVOA-UHFFFAOYSA-N
-rxn:4:204014:225231,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(Cl)c(N4CCCCC4C)c3)c2)CC1,AIFPSECZMRGUIK-UHFFFAOYSA-N
-rxn:4:204015:225167,CCN1CCN(S(=O)(=O)c2cc(-c3cc(F)cc(C(=O)N4CCCC4)c3)ccc2C)CC1,SPXSPRWTJFDCSK-UHFFFAOYSA-N
-rxn:4:204021:225218,CC1CCCN(c2ncc(-c3cccc(N4CCN(C(=O)C5CCC5)CC4)c3)cc2Cl)C1,WRDRCTODTBWFAZ-UHFFFAOYSA-N
-rxn:4:204046:227967,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cccnc2C2CCC2)CC1,YWRCBFPOVGXSPV-UHFFFAOYSA-N
-rxn:4:204054:225293,CC(C)Oc1cc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)ccc1C(F)(F)F,UAMZWEQTRSPWPL-UHFFFAOYSA-N
-rxn:4:204066:222919,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1,JYJYFYNCCPUKSS-UHFFFAOYSA-N
-rxn:4:204069:225319,Cc1cc(-c2cc(F)c(F)c(N3CCOCC3)c2)ccc1C(=O)N1CCC(N(C)C)CC1,PTDTYTQETRAEBT-UHFFFAOYSA-N
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-rxn:4:204075:225859,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(N4CCCCC4)c(Cl)c3)cc2C)CC1,YHSPPAQQBZQTJL-UHFFFAOYSA-N
-rxn:4:204075:225867,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3cnc(Cl)c(N4CCCCC4)c3)cc2C)CC1,ZGAOCZKTJVLZDS-UHFFFAOYSA-N
-rxn:4:204082:228303,CCN(C)c1ncc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cn1,QRJCIPYQIBPSRC-UHFFFAOYSA-N
-rxn:4:204091:223712,COc1ccc(-c2ccc(CN3CCC(N(C)C)CC3)cc2C)cc1C12CC3CC(CC(C3)C1)C2,OTCOCHZTXFRHSO-UHFFFAOYSA-N
-rxn:4:204103:222456,O=C(Nc1cccc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)c1)c1ccc(C(F)(F)F)cc1,XOYQGUHCBCKATG-UHFFFAOYSA-N
-rxn:4:204135:223092,CN(C)S(=O)(=O)Nc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,HTMOZEHWRZQZCF-UHFFFAOYSA-N
-rxn:4:204135:226484,COCCOc1cc(Cl)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,QSAGKBKHFQYMFF-UHFFFAOYSA-N
-rxn:4:204142:223169,CC1CN(Cc2ccc(-c3cnc(C4CCNCC4)nc3)cc2N2CCOCC2)CCO1,GQMUYVLRAPBYGV-UHFFFAOYSA-N
-rxn:4:204151:226286,CC(C)COc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCCCC3)c2)ccc1Cl,OKFVKBSOYQWTTD-UHFFFAOYSA-N
-rxn:4:204169:224835,CC1CN(Cc2ccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)cc2N2CCCCC2)CCO1,KVLVQNGJPFODFI-UHFFFAOYSA-N
-rxn:4:204171:226012,CC1CCCN(Cc2ccc(-c3ccc(OCC(F)(F)F)cc3F)cc2N2CCCCC2)C1,NSECFXZXOYLFKK-UHFFFAOYSA-N
-rxn:4:204180:225613,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccnc(OC5CCCCC5)c4)c(C)cc3C)CC2)c(C)c1,KHLPAWWANXIGCK-UHFFFAOYSA-N
-rxn:4:204403:223846,COCn1ncc(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)c1C12CCCC1O2,HBXBINOKHLXTKN-UHFFFAOYSA-N
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-rxn:4:204471:223712,COc1ccc(-c2cc(Cl)cc3c2cnn3C(=O)OC(C)(C)C)cc1C12CC3CC(CC(C3)C1)C2,IPVRLAWUXFHNIM-UHFFFAOYSA-N
-rxn:4:204505:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cc4c(cc3[N+](=O)[O-])C(=O)N(Cc3ccccc3)C4=O)cc21,DEWVLHKTCRKSQR-UHFFFAOYSA-N
-rxn:4:204600:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)cc1,IFGWCGIBFPWNBX-KRWDZBQOSA-N
-rxn:4:204605:224022,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21,PMCXNJFZXGHJCA-UHFFFAOYSA-N
-rxn:4:204642:224590,CC1CCN(Cc2ccc(-c3ccc4c(c3)CCN4C(=O)CN3CCOCC3)c(F)c2)CC1,JECYFUFKDIJSAC-UHFFFAOYSA-N
-rxn:4:204648:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(N5CCc6sccc6C5)C4)o3)ccc2C)CC1,WIQHTLOTYCGXEF-UHFFFAOYSA-N
-rxn:4:204680:225221,CC1CCCN(c2cc(-c3ccc4c(n3)CCN(C(=O)OC(C)(C)C)CC4)c(F)cn2)C1,CWFMFLZJOJTCCX-UHFFFAOYSA-N
-rxn:4:204681:223690,COC(=O)c1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cn1S(=O)(=O)c1ccc(C)cc1,FDWBWAACPVSYNW-UHFFFAOYSA-N
-rxn:4:204689:222859,CCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3ccc(C(=O)NCCN(C)C)cc3)ccc21,PLGPGOBDJAUMGR-UHFFFAOYSA-N
-rxn:4:204695:227519,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cnc(C(=O)OC)cc2C)c1,CYKDEWQUMGDIEB-UHFFFAOYSA-N
-rxn:4:204722:223124,CC(C)NC(=O)c1cccc(-c2cccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)c2)c1,DRNKBFZKBZVURW-UHFFFAOYSA-N
-rxn:4:204785:226479,CCCCOc1nccc(-c2ccc3c(c2)C(=C2SC(=S)N(CC4CCCO4)C2=O)C(=O)N3CC)c1Cl,INOOAIRTMDOBPS-UHFFFAOYSA-N
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-rxn:4:204818:223591,Cc1ccccc1N1C(=O)N(Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc2)c2ccccc2S1(=O)=O,NWKPEOBULFZBER-UHFFFAOYSA-N
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-rxn:4:204851:222674,Cc1cccc(N2C(=O)N(Cc3cccc(-c4cccc(C(=O)NC5CCCCC5)c4F)c3)c3ccccc3S2(=O)=O)c1C,OYUHMNWSRWMUQM-UHFFFAOYSA-N
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-rxn:4:206532:224371,COC(=O)C1CCN(c2ncc(-c3cc(N4CCOCC4)c([N+](=O)[O-])cc3F)cn2)CC1,JNASKYJWBKNBCL-UHFFFAOYSA-N
-rxn:4:206594:223835,Cc1cc(F)c(-c2cccc(CN3CCN(C)C3=O)c2)cc1S(=O)(=O)N1CCC(C)CC1,AIFSEKAGVVRSQN-UHFFFAOYSA-N
-rxn:4:206714:223902,CC1CCN(CCOc2ccc(-c3ccc(C4CCCN4S(C)(=O)=O)nc3)cc2F)CC1,BQENDCUXNNHKEK-UHFFFAOYSA-N
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-rxn:4:206736:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,KJAJPKXUYIWWRN-UHFFFAOYSA-N
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-rxn:4:206963:224378,CS(=O)(=O)N1CCN(c2ccccc2-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)CC1,IMNIPDYSNAPNGJ-UHFFFAOYSA-N
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-rxn:4:209764:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CCC(F)CC4)nc3)c2)CC1,YPYUSYVLYSHRIZ-UHFFFAOYSA-N
-rxn:4:209862:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnccc3N3CCC(C)CC3)cc2C)CC1,JGSFTTPVHXLPRZ-UHFFFAOYSA-N
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-rxn:4:211060:222742,CN1CCN(C2CCCc3cc(-c4cc(C5CCNCC5)nc(C5CC5)c4)ccc32)CC1,IPWQJGXJYYSVHH-UHFFFAOYSA-N
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-rxn:4:212283:223660,CN1C(=O)COc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cnc21,XDUGCDKDOPEGIJ-UHFFFAOYSA-N
-rxn:4:212284:223660,CN1C(=O)COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc21,LMGULMHBKWAFAI-UHFFFAOYSA-N
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-rxn:4:212523:223973,CC1CCCN(c2ccc(-c3ccc(C(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)o3)c(C(F)(F)F)c2)C1,SXBIVHQUJPTGHE-UHFFFAOYSA-N
-rxn:4:212532:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1cnn(CC2CN(C(=O)c3cccc(OC(F)(F)F)c3)C2)c1,WHGSDQHSYYGJKO-UHFFFAOYSA-N
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-rxn:4:212545:222700,O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Cn2cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cn2)C1,KHMMWRADTOKUOX-UHFFFAOYSA-N
-rxn:4:212592:225226,CC1CCN(c2cc(-c3cccc(CCCC4(C(=O)N(C)C)CCN4C)n3)c(F)cn2)CC1,MININCMPOZKEBX-UHFFFAOYSA-N
-rxn:4:212606:223049,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC4CC4)cc3F)cn2)C1,NNBUUHSMIRYJBC-UHFFFAOYSA-N
-rxn:4:212607:225342,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(C(=O)N(C)C)cc([N+](=O)[O-])c3)cn2)CC1,HZYXORWDXWUHLQ-UHFFFAOYSA-N
-rxn:4:212607:226249,CCCCOc1cc(Cl)cc(-c2cnc(OC3CCN(C(=O)C(CC)CC)CC3)nc2)c1,JNTWGMGOVZKJKW-UHFFFAOYSA-N
-rxn:4:212631:225351,COC(=O)c1c(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)cccc1C(F)(F)F,LFPKCFFUYLUJHD-UHFFFAOYSA-N
-rxn:4:212641:223385,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cc(C=NO)ccc4Cl)o3)CC2)C1=O,SUGUZGXHXHHAOW-UHFFFAOYSA-N
-rxn:4:212642:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)o2)c1,NDDQETMFTGRZGA-UHFFFAOYSA-N
-rxn:4:212649:224195,CCN1CCN(Cc2cc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)CC)C4)nc3)ccc2Cl)CC1,UUAPMJWKEHPYMP-UHFFFAOYSA-N
-rxn:4:212650:225875,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,NBFBEZIJHJWKHL-UHFFFAOYSA-N
-rxn:4:212713:223693,Cc1ccc(-n2c(-c3ccc(-c4cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c4F)cc3)cnc2SCC(=O)N2CCCC2)cc1,WYDPSBOOMXZMBB-UHFFFAOYSA-N
-rxn:4:212742:223970,Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,KSOMAXLQYOTOIN-UHFFFAOYSA-N
-rxn:4:212745:222435,CC1CN(c2cc(CN3CCOCC3)cc(-c3cccc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c3)c2)CCN1C(=O)OC(C)(C)C,GMUNJZRNEDBEQD-UHFFFAOYSA-N
-rxn:4:212804:222700,O=C(OCc1ccccc1)N1CCC(Cn2ccc3c(-c4ccc(C(F)(F)F)cc4C4CCCNC4)ccnc32)CC1,UEPYSJNQMQHQKC-UHFFFAOYSA-N
-rxn:4:212814:223080,CC(C)NS(=O)(=O)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,PMWGVYQUNZABAB-UHFFFAOYSA-N
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-rxn:4:212861:223602,CN(C)CCCOc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1,VHGANGAGAOFXLY-UHFFFAOYSA-N
-rxn:4:212914:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cncc(C(=O)N4CC(Oc5ccnc(C(F)(F)F)c5)C4)c3)cc21,NLZAJDDSXWMGJE-UHFFFAOYSA-N
-rxn:4:212917:223562,COC(=O)CN1CCC(Cn2cc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,RILYZVDHKMSKAK-UHFFFAOYSA-N
-rxn:4:212920:222540,COCCN1CCC(Oc2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)CC1,QOAYAHSIFXIRMK-UHFFFAOYSA-N
-rxn:4:212924:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3CC(=O)N3CC(Cn4cc(Cl)cn4)C3)c2)CC1,IQPDPRHUZJRRSK-UHFFFAOYSA-N
-rxn:4:212967:223902,CC1CCN(CCOc2ccc(-c3cnc(OCC4CCN(C(=O)C5CC5)CC4)nc3)cc2F)CC1,VUSHGFIWEJFCQZ-UHFFFAOYSA-N
-rxn:4:213012:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)CC(C)C)CC3)nc2)cc1,WXIJODAOOUNUOP-UHFFFAOYSA-N
-rxn:4:213050:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(-c3ccc(SCC(=O)N4CCCCC4)nn3)cc2)C1,VFOPJZXZCNXEPK-UHFFFAOYSA-N
-rxn:4:213053:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,UIDSIXWKVZUEOT-UHFFFAOYSA-N
-rxn:4:213070:224270,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)cn2)CC1,VIMNPMSNQKEBEJ-UHFFFAOYSA-N
-rxn:4:213074:223125,CC(C)NC(=O)c1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,LDMOBXHQQZHEFP-UHFFFAOYSA-N
-rxn:4:213084:223712,COc1ccc(-c2cnc(OCC3CCCN(Cc4ccccc4)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,OBSATDFAPPYRBF-UHFFFAOYSA-N
-rxn:4:213134:224825,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(C(=O)N(C)OC)cc([N+](=O)[O-])c3)cn2)CC1,JXCGULUZOSDJMG-UHFFFAOYSA-N
-rxn:4:213177:222542,Cc1cccc(OCC2CCCN(C(=O)c3cncc(-c4ccc(C)c(OCCCN5CCNCC5)c4)c3)C2)n1,DNBWCVWMZNPSKW-UHFFFAOYSA-N
-rxn:4:213180:224312,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCN(C)CC5)c4)cn3)CC2)c(C)o1,ZZSDACOOPOPHQR-UHFFFAOYSA-N
-rxn:4:213201:224976,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(N4CCCCC4)c3C#N)CC2)ncn1,BLUWMGMGRDAYKR-UHFFFAOYSA-N
-rxn:4:213204:224683,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(C(=O)N4CCCCC4)c3)C2)nc1,ZUROUCYLEDZECB-UHFFFAOYSA-N
-rxn:4:213216:226491,COCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1,SBGWAYDYXXUEIE-UHFFFAOYSA-N
-rxn:4:213236:222919,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)NC(C)(C)C)cc4)cn3)C2)cc1C,ZBOQVGMRUHZTTP-UHFFFAOYSA-N
-rxn:4:213248:224665,COc1ccc(-c2ccc(F)cc2CN2CCN(C)CC2)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,AMWOZZGVZYLQJA-UHFFFAOYSA-N
-rxn:4:213253:223245,COc1c(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)ccc2[nH]ncc12,DFUFYYYMBVKQMV-UHFFFAOYSA-N
-rxn:4:213263:222878,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4ccc(F)c(C(=O)NC(C)(C)C)c4)c3)CC2)cc1,FIZFUIFYTALYRW-UHFFFAOYSA-N
-rxn:4:213265:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)c3ccccc23)CC1,VKPBBVSMNFVEDG-UHFFFAOYSA-N
-rxn:4:213269:224584,COc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)c2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,BCCZFZRHDMMPHR-UHFFFAOYSA-N
-rxn:4:213274:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc(-c2ccc(=O)n(CC(=O)N3CCOC(c4ccccc4)C3)n2)cc1,BJPVQVNOOSZJDU-UHFFFAOYSA-N
-rxn:4:213281:226472,CN(C)CCOc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)ccn1,SZNJBZACSGBTIQ-UHFFFAOYSA-N
-rxn:4:213440:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc2ccn(CC(=O)N3CCN(C(=O)C4COc5ccccc5O4)CC3)c2c1,KXTKKMKKUMOEAA-UHFFFAOYSA-N
-rxn:4:213473:223895,CCN1CCN(CCOc2ccc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4-c4ccccc4C)CCN(C(C)=O)C6)cc3)cc2)CC1,RWYVOZVRTFEHPU-UHFFFAOYSA-N
-rxn:4:213480:222999,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(Cl)cc(C5CCCNC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HQKVJKKNRNJAFA-BVILEHTCSA-N
-rxn:4:213480:225227,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCC(C)CC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DLAPMEOKPMPCIO-PCBPTNJRSA-N
-rxn:4:213480:226582,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N(C)C)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,POBXCUUGIZNMDX-FGWXRDQWSA-N
-rxn:4:213480:227656,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(N5CCOCC5)cs4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FFLRQKSVTCODQB-QMSPCPMTSA-N
-rxn:4:213569:223916,CC(C)N1CCN(C(=O)c2ccc(-c3cnn([C@H](CC#N)C4CCCC4)c3)cc2)CC1,NYIWDKJOVOVGGV-XMMPIXPASA-N
-rxn:4:213580:224190,COc1ccc(-c2cnn(CC3CCN(CC(F)F)C3)c2)cc1O[Si](C)(C)C(C)(C)C,VGFMXRGYCNNRFK-UHFFFAOYSA-N
-rxn:4:213653:222845,CC(c1ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)cc1)N1CCNCC1,CRMBYRXJHVKSJP-UHFFFAOYSA-N
-rxn:4:213653:225439,CC(c1cccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1)N1CCCC1,VYRFLIGWVHODAF-UHFFFAOYSA-N
-rxn:4:213658:222901,CCCS(=O)(=O)NCc1ccc(-c2cnn(CC3CN(C(=O)C4CCCO4)C3)c2)cc1,ZAZWQLZPMCIGSK-UHFFFAOYSA-N
-rxn:4:213662:222723,CC(=O)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,BVRQRDSAWRITTJ-UHFFFAOYSA-N
-rxn:4:213664:224825,CCC(=O)N1CCC(Oc2ncc(-c3cc(C(=O)N(C)OC)cc([N+](=O)[O-])c3)cn2)CC1,PGCJSHTYVRZYFI-UHFFFAOYSA-N
-rxn:4:213685:224634,COc1ccc(-c2cnn(CC3CN(CC4CCOC4)C3)c2)cc1CN1CCOCC1,DXZVPSXNYPIOMU-UHFFFAOYSA-N
-rxn:4:213719:223597,COC1CCN(C(=O)C(C)n2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)CC1,RLPDRBYOGIPEPR-UHFFFAOYSA-N
-rxn:4:213740:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)C3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,UVLAUTMVHITUMU-UHFFFAOYSA-N
-rxn:4:213764:225805,CC(c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)s1)N1CCOCC1,VTKKZWBZIZYZQB-UHFFFAOYSA-N
-rxn:4:213794:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(CC4CCCCO4)C3)c2)cc1,LXSBPUFPUGBCEE-UHFFFAOYSA-N
-rxn:4:213794:225003,COc1cc(N2CCCCC2)ccc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,PNPXDNQNSQTWPQ-UHFFFAOYSA-N
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-rxn:4:213814:223570,Cc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C1,MSRNPHIKKOVUHN-UHFFFAOYSA-N
-rxn:4:213823:224317,CN1CCN(C(=O)c2ccc(-c3cnc(OC4CCCN(C(=O)c5ccccc5Cl)C4)nc3)c(F)c2)CC1,FESQWTPMBRUSFH-UHFFFAOYSA-N
-rxn:4:213828:225233,CC1CCCN(c2cc(-c3ccc(S(=O)(=O)N4CCC(c5nnc(C(F)(F)F)o5)CC4)cc3)cnc2Cl)C1,PQJOQILJLONCRL-UHFFFAOYSA-N
-rxn:4:213863:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)cc2)CC1,XKWWQHSZOIOAAY-UHFFFAOYSA-N
-rxn:4:213869:224575,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ncc(F)cn5)CC4)cc3)c(C#N)c2)CC1,WQCURHWCYUVCKS-UHFFFAOYSA-N
-rxn:4:213910:223122,CC(C)C(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,JGHKCVMIMJWMHP-UHFFFAOYSA-N
-rxn:4:213937:222724,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)CC2=O)ccn1,WLQKPJVHBLGXPE-UHFFFAOYSA-N
-rxn:4:213937:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccnc(OC)c3)C(=O)C2)cc1,QDCWZAOMPIDODT-UHFFFAOYSA-N
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-rxn:4:213961:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(COc5ccncc5C)CC4)nc3)cc2)CC1,FKWMPNCCARWFJC-UHFFFAOYSA-N
-rxn:4:213966:222724,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1cnc(N2CCNCC2)c(C(F)(F)F)c1,JAFQSJQZTDOAML-UHFFFAOYSA-N
-rxn:4:213975:226478,COc1ccc(OCC#N)c(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,YWZVCQXZPIBFFW-UHFFFAOYSA-N
-rxn:4:213977:222825,CC1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2cc(Cl)ccc2S(=O)(=O)NC(C)(C)C)n1,GTKNIDCPECYLPY-UHFFFAOYSA-N
-rxn:4:213991:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,JXOPYVXJMAPBDK-UHFFFAOYSA-N
-rxn:4:213991:224244,CC1CCN(C(=O)c2cc(-c3cnc(OC4CCN(CC5CCCOC5)CC4)nc3)ccc2Cl)CC1,OEXUOGYUMWSQJA-UHFFFAOYSA-N
-rxn:4:213991:225990,CCCCn1nc(C(F)(F)F)cc1-c1cnc(OC2CCN(CC3CCCOC3)CC2)nc1,ZHLMREJXXPYDHI-UHFFFAOYSA-N
-rxn:4:213994:226506,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2cc(OCC3CC3)ncc2F)c1,VMBDWKWNVNUHFE-MRXNPFEDSA-N
-rxn:4:213998:225361,CC1CN(c2cncc(-c3cn(C4CCCC4)nc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,HTEZLASSMWHZDS-UHFFFAOYSA-N
-rxn:4:214008:224718,CC(C)c1sc(-c2ccc(OCCN3CCOCC3)nc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,SLRUGYZMPBWUMA-UHFFFAOYSA-N
-rxn:4:214020:224198,CCN1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Oc4cc(C)nc(C)n4)CC3)c(F)c2)CC1,SJSIXFSSIZGUDM-UHFFFAOYSA-N
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-rxn:4:214033:227990,CC(C)c1cc(Cl)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,QKZKMANEUKSUNQ-DNQXCXABSA-N
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-rxn:4:214079:227086,CC(C)N1CCN(Cc2ccc(-c3ccnc(C4CCCC4)c3)cc2N2CCCC2)CC1,LTQXYSYNHFGMOH-UHFFFAOYSA-N
-rxn:4:214183:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc2c(C3CN(C(=O)OC(C)(C)C)C3)ncn2c1,JBKWVDSVTLAYNK-UHFFFAOYSA-N
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-rxn:4:214273:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,RJKHLFCCWOBBPN-UHFFFAOYSA-N
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-rxn:4:214356:222546,CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1cccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1,XFBVHJMUWFPHAK-UHFFFAOYSA-N
-rxn:4:214391:226123,COCc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cc1C1CC1,AUNCPDKFBNERJY-UHFFFAOYSA-N
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-rxn:4:214527:223541,O=[N+]([O-])c1nn(Cc2ccccc2F)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,UNUMRNGKDBCPNJ-UHFFFAOYSA-N
-rxn:4:214566:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnn(CCN2CCCC2)c1,LJKBNTORQKKSDR-UHFFFAOYSA-N
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-rxn:4:214631:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,NZPJAQAKNNUHCN-UHFFFAOYSA-N
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-rxn:4:214668:224247,CCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)nc2)CC1,IMLRBIJESRDASS-UHFFFAOYSA-N
-rxn:4:214682:223812,CCN1CCN(C(=O)c2ccc(F)c(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)n2)CC1,VRYVDUCXNIXYQC-UHFFFAOYSA-N
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-rxn:4:214746:224195,CCN1CCN(Cc2cc(-c3ccc(N4CCC(N(C)C)CC4)c(C#N)c3)ccc2Cl)CC1,PJWDNCAJSCRHGN-UHFFFAOYSA-N
-rxn:4:214763:224323,CCCN1CCN(c2ncc(C)cc2-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)CC1,MDEFWGYPCGWKGO-UHFFFAOYSA-N
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-rxn:4:214805:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,ORYCXRYDMAHMGA-UHFFFAOYSA-N
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-rxn:4:214828:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCC(c5ccn(C)n5)CC4)c3)cc2F)CC1,MMSIPJPQJHZDHX-UHFFFAOYSA-N
-rxn:4:214830:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cn1,ROIXBBLSICNVAO-UHFFFAOYSA-N
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-rxn:4:214839:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,WZTHGWVGKVBAPH-UHFFFAOYSA-N
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-rxn:4:214870:222546,O=C(C1CCCN(c2ncc(Cl)cc2-c2ccc(OCCNC3CCCCC3)c(F)c2)C1)N1CCOCC1,GNNIBMJMBDYISD-UHFFFAOYSA-N
-rxn:4:214872:226095,CCCCOc1cc(C)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,FPRGOWVPGXQIHM-UHFFFAOYSA-N
-rxn:4:214872:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1Cl,WPSGZBWXJHTWQE-UHFFFAOYSA-N
-rxn:4:214874:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)CC1,RSBXDOBWHCZXFS-UHFFFAOYSA-N
-rxn:4:214880:227467,COCCOc1cnccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,VNCGUOKTAAIYSM-UHFFFAOYSA-N
-rxn:4:214888:225601,N#CC1(c2ccc(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)c(F)c2)CCC1,BWSJBPLMUDFSAZ-UHFFFAOYSA-N
-rxn:4:214888:225602,N#CC1(c2ccc(F)c(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)c2)CCC1,BDDMYOPWVIRIPM-UHFFFAOYSA-N
-rxn:4:215076:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4[nH]c(C(=O)N5CCC(C#N)CC5)cc4c3)c2)CC1,FZVGBCIXQJYEJQ-UHFFFAOYSA-N
-rxn:4:215105:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,SCZXZWIWRFROBO-UHFFFAOYSA-N
-rxn:4:215298:223093,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc12,ZBNDSXDXXZTYKY-UHFFFAOYSA-N
-rxn:4:215300:226652,Cc1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)n(C2CCCCO2)n1,BFZGLHQIIYKWCX-UHFFFAOYSA-N
-rxn:4:215707:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(C#N)c(N4CCOCC4)c3)c2Cl)CC1,UNQARUPEJJOSIF-UHFFFAOYSA-N
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-rxn:4:215798:223982,C=C1CCN(c2ncc(-c3ccc(N4CCN(S(=O)(=O)CC)CC4)cc3)cc2C#N)CC1,MRYQLOMXEXFEPZ-UHFFFAOYSA-N
-rxn:4:215822:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nc(C4CC4)cc(N4CCCC4)n3)c2)CC1,WYMCMUFOPAVZOD-UHFFFAOYSA-N
-rxn:4:215877:223842,CCN1CCN(c2cncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)c2)CC1,KMMSDFMMNQTGKZ-UHFFFAOYSA-N
-rxn:4:215898:224155,CN1CCN(c2cc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)cc(C3CC3)c2)CC1,KAKAUBPIKNZLKO-UHFFFAOYSA-N
-rxn:4:215899:222694,CS(=O)(=O)N1CCCC(c2cnc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)C1,ZNKJHILYDKIWDC-UHFFFAOYSA-N
-rxn:4:215940:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2F)CC1,RNEOKLYJCPBMGV-UHFFFAOYSA-N
-rxn:4:215940:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2F)CC1,QTFSOOYEOAKNDV-UHFFFAOYSA-N
-rxn:4:215941:223835,Cc1cc(F)c(-c2ccncc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCC(C)CC1,OPWPCSXTUKSOEL-UHFFFAOYSA-N
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-rxn:4:215941:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2F)CC1,OLCLPRJMDSCOJH-UHFFFAOYSA-N
-rxn:4:215942:223992,Cc1ccc(-c2ncccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,KMNUPBHNHODYIM-UHFFFAOYSA-N
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-rxn:4:215944:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)c3ccccc23)CC1,RWMBBQUACWAAMV-UHFFFAOYSA-N
-rxn:4:215944:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(N2CCC(N(C)C)CC2)n1,SXHPXNSWRWPBGE-UHFFFAOYSA-N
-rxn:4:215944:223992,Cc1ccc(-c2cccc(N3CCC(N(C)C)CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,HCYLNJAIDVLTEO-UHFFFAOYSA-N
-rxn:4:215944:223993,Cc1cc(-c2cccc(N3CCC(N(C)C)CC3)n2)ccc1S(=O)(=O)N1CCN(C)CC1,AQNHQYIVJHUWAY-UHFFFAOYSA-N
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-rxn:4:215955:223784,CCN1CCN(CCOc2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2F)CC1,ACQOYBOIZFOMKT-UHFFFAOYSA-N
-rxn:4:215955:223992,Cc1ccc(-c2cnccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,RESJTJNKJDBUEA-UHFFFAOYSA-N
-rxn:4:215955:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnccc1N1CCC(N(C)C)CC1,HOWZDMNIYIUCKS-UHFFFAOYSA-N
-rxn:4:215955:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2F)CC1,FZOVBOQDLPGDGO-UHFFFAOYSA-N
-rxn:4:215955:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2F)CC1,BUGHNKHWIRLQDY-UHFFFAOYSA-N
-rxn:4:215956:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c3ccccc23)CC1,WWORAMYMYUAUNK-UHFFFAOYSA-N
-rxn:4:215956:223993,Cc1cc(-c2cncc(N3CCC(N(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,FEIBZCSFPWTLHA-UHFFFAOYSA-N
-rxn:4:215957:223992,Cc1ccc(-c2cccnc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,HEJIPBBEWBYCAH-UHFFFAOYSA-N
-rxn:4:215984:222742,CN1C(=O)C(=Cc2cccn2-c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)C(=O)N(C)C1=O,ZZDWCTPCBABTLC-UHFFFAOYSA-N
-rxn:4:215990:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1,XMOVZHCOLGIILV-UHFFFAOYSA-N
-rxn:4:216219:222537,CN1C2CCC1CC(Oc1ncc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn1)C2,OPXRHRBRCFHAHC-UHFFFAOYSA-N
-rxn:4:216219:223970,Cc1ccc(-c2cnc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCC(C)CC1,XDAAZJMCNWRTGE-UHFFFAOYSA-N
-rxn:4:216319:225223,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(N5CCC(C)CC5)cc4F)ccc3S2(=O)=O)n1,ORBAMTMINAFVMJ-UHFFFAOYSA-N
-rxn:4:216319:225232,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cnc(Cl)c(N5CCC(C)CC5)c4)ccc3S2(=O)=O)n1,PGZVWKCJCGKRTO-UHFFFAOYSA-N
-rxn:4:216319:225465,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4cccc(C5CCN(C)CC5)c4)ccc3S2(=O)=O)n1,UZPGSLHJCBBDKY-UHFFFAOYSA-N
-rxn:4:216787:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(F)C4)nc3)cc2[N+](=O)[O-])CC1,SAICSBSSKJALLS-UHFFFAOYSA-N
-rxn:4:217129:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCCCC4)nc3Cl)cc2)CC1,PVGALDSFGHBIDT-UHFFFAOYSA-N
-rxn:4:217156:223841,Cc1cc(F)c(-c2cccc(N3CCN(C)C(=O)C3)n2)cc1S(=O)(=O)N1CCN(C)CC1,FBJZNWXJDJXJRE-UHFFFAOYSA-N
-rxn:4:217904:224666,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cc12,HEDNSUJZNDFVOH-UHFFFAOYSA-N
-rxn:4:218588:225223,CC1CCN(c2cc(F)c(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cn2)CC1,XQDATOPMJAGQEZ-UHFFFAOYSA-N
-rxn:4:218607:224592,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)cn1,VPHVJUXHQZHXPV-UHFFFAOYSA-N
-rxn:4:218630:224670,COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(-c3cc(CN4CCN(C)CC4)ccc3F)o2)CC1,PFCXBLNRCCQZHA-UHFFFAOYSA-N
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-rxn:4:218682:223602,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)CC1,TXCPTEYNHGJGCF-UHFFFAOYSA-N
-rxn:4:218700:224713,CCCCOc1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(F)cc4)C3)cc2)c(C(F)(F)F)c1,DOGIWSTZVRJFLT-UHFFFAOYSA-N
-rxn:4:218708:222729,CCCc1cc(-c2ccc(-c3cc(N4CCCN(C(=O)c5ccc(OC)cc5OC)CC4)[nH]n3)cc2)cc(C2CCCNC2)n1,KOZKOCRRHVIQTQ-UHFFFAOYSA-N
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-rxn:4:218785:223059,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(N4CCNCC4)cc3Cl)cc1-2,YSSGWNAUWKYHRM-UHFFFAOYSA-N
-rxn:4:218813:222839,CN(CC1CN(c2ncc(-c3ccc(NCC4CCCCC4)nc3)cn2)C1)C(=O)C1CC1,WFJMSWAIZPNZPY-UHFFFAOYSA-N
-rxn:4:218867:225633,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCCC4)nc3)c2)no1,HVWWSIXQBFRJEA-UHFFFAOYSA-N
-rxn:4:218867:225830,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCCC4)nc3C)c2)no1,LGCOOIQMWIWXFG-UHFFFAOYSA-N
-rxn:4:218867:226179,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cncc(C4CCCCC4)c3)c2)no1,JCRCZCHPSRXRHN-UHFFFAOYSA-N
-rxn:4:218879:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OCC4CCN(C(=O)c5ccccn5)CC4)nc3)cn2)CC1,JLKRAOPDIFOYRS-UHFFFAOYSA-N
-rxn:4:218886:224754,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccccc3S(=O)(=O)N3CCCCC3)cn2)C1,DELGOUCZXCJZDX-UHFFFAOYSA-N
-rxn:4:218887:222634,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,MTWWMMYDOAHHLQ-UHFFFAOYSA-N
-rxn:4:218898:223598,O=C(c1ccncc1F)N1CCC(COc2ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cn2)CC1,CBHWITPXUAGBFI-UHFFFAOYSA-N
-rxn:4:218899:225219,CC1CCCCN1c1cc(F)c(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cn1,FXVOUSXAFDOGFN-UHFFFAOYSA-N
-rxn:4:218899:225226,CC1CCN(c2cc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)c(F)cn2)CC1,MKDSXIHFLKTNOK-UHFFFAOYSA-N
-rxn:4:218919:223903,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccccc3CCC(=O)N3CCC(=O)CC3)C2)cn1,RPRYCJIHOBSAKC-UHFFFAOYSA-N
-rxn:4:218921:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccccc3CCC(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)c2)CC1,WBIJRDLAKMUOFT-UHFFFAOYSA-N
-rxn:4:218944:223106,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC(O)C4)nc3Cl)cc2[N+](=O)[O-])CC1,NEZVTNCYCWXZJM-UHFFFAOYSA-N
-rxn:4:218945:222614,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)cncc2[N+](=O)[O-])CC1,QZLYLWZILDGXKN-UHFFFAOYSA-N
-rxn:4:218945:227225,CC(C)CSc1ccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,YGLZKQJJRQLZBU-UHFFFAOYSA-N
-rxn:4:218972:225898,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)s1,SOURGOGAKIFONV-UHFFFAOYSA-N
-rxn:4:218976:226571,O=C1C(N2CCC(Oc3ncc(-c4cnn(CC5CCOCC5)c4)cn3)CC2)CCN1CC(F)(F)F,GAVPTJPVPCCHSH-UHFFFAOYSA-N
-rxn:4:218982:223752,O=C(c1cncc(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,KXFLFIAOEDDRMH-UHFFFAOYSA-N
-rxn:4:218991:222813,Cn1cc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,QVUCEGISOGODNT-UHFFFAOYSA-N
-rxn:4:218993:223602,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)s1,ZUPOEAUTKBYYIG-UHFFFAOYSA-N
-rxn:4:219013:224983,CC1CN(c2c(-c3ccc(C4CC4)cc3-n3cccn3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,OIAFBROIGXVMPB-UHFFFAOYSA-N
-rxn:4:219015:224810,COc1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,CSZCRYIMCDSDKZ-UHFFFAOYSA-N
-rxn:4:219015:226276,COc1ccc(-c2ccc(OC)c(CN(C)C)c2)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,AVGHDFZJEWEPPP-UHFFFAOYSA-N
-rxn:4:219043:224619,CC1CN(Cc2nn(C)cc2-c2ccc(OCCN3CCCC3)c(F)c2)CCN1C(=O)OC(C)(C)C,AQJDWDHQBGRHBT-UHFFFAOYSA-N
-rxn:4:219046:225141,Cc1ccn(-c2ccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)cc2C#N)n1,YXEFFYUPNVWZHE-UHFFFAOYSA-N
-rxn:4:219053:222584,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)cn2)CC1,OXQBZQSZQCCBCW-UHFFFAOYSA-N
-rxn:4:219058:223831,COc1ccc(-c2ccccc2CC(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1S(=O)(=O)N1CCC(C)CC1,AFPLEIYWGVLBFT-UHFFFAOYSA-N
-rxn:4:219184:227625,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(C5CCCO5)nc4)cc2)OC3)CC1,RUFSVMZPAUYYEY-UHFFFAOYSA-N
-rxn:4:219271:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(N4CCN(CC(F)(F)F)CC4)c([N+](=O)[O-])c3)cc2)cc1,OGWUGPOXRRDHGK-UHFFFAOYSA-N
-rxn:4:219377:222583,CCn1ccnc1N1CCN(C(=O)c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)o2)CC1,LNZDJTUMSVYEJX-UHFFFAOYSA-N
-rxn:4:219381:226259,CCCCOc1ccc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1Cl,QATKUEIJAPRGEN-UHFFFAOYSA-N
-rxn:4:219402:223065,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(N4CCNCC4)cc3F)cn2)CC1,AHILATBMODEBRD-UHFFFAOYSA-N
-rxn:4:219407:222584,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,HPGXSSGTMGZFHI-UHFFFAOYSA-N
-rxn:4:219409:224329,Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)cc1,KJEACGMUPLFFDJ-UHFFFAOYSA-N
-rxn:4:219414:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C#N)c3)c2Cl)CC1,ZVRKCBMZHFNFNH-UHFFFAOYSA-N
-rxn:4:219436:227495,CCN(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)cn1,WWOPKRIDYXAALN-UHFFFAOYSA-N
-rxn:4:219439:223774,COc1cccc2c1cc(-c1cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c1)n2C(=O)OC(C)(C)C,KFZNOEAVVKPKGV-UHFFFAOYSA-N
-rxn:4:219477:224668,CCN1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)CC1,WEBHXMWGLVXPHK-UHFFFAOYSA-N
-rxn:4:219479:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(Cl)c(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)c1,JKOXPKLOBSSZRH-UHFFFAOYSA-N
-rxn:4:219479:225655,CC1CCN(c2cncc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)c2)CC1,LUTYAKKLSDITNR-UHFFFAOYSA-N
-rxn:4:219498:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)CC1,DQSVMTHUALMCRV-UHFFFAOYSA-N
-rxn:4:219523:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccccc3C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c(F)cn2)CC1,LCNDJYMVSFUCJA-UHFFFAOYSA-N
-rxn:4:219535:225294,CCN1CCN(c2ncc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)cn2)CC1,PPOHMFMWZWNSFK-UHFFFAOYSA-N
-rxn:4:219536:223054,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccc(C(C)N5CCC(O)C5)s4)o3)CC2)cn1C,UVBZCWFNIDKVIF-UHFFFAOYSA-N
-rxn:4:219541:224768,Cc1cnc(N(C)C2CCCN(C(=O)c3ccccc3-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)C2)nc1,NEKPOWZBTWDNDM-UHFFFAOYSA-N
-rxn:4:219543:225828,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)n1,FLMWUAFHINGLII-UHFFFAOYSA-N
-rxn:4:219565:226182,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cccnc4C4CCCCC4)cc3)CC2)n1,MAERQDPDVVVVBK-UHFFFAOYSA-N
-rxn:4:219569:223714,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccc3cc(OCc4ccccc4)ccc3c2)cc1[N+](=O)[O-],LUUQBJFDYRQERL-UHFFFAOYSA-N
-rxn:4:219624:224065,CC1CCN(c2cc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nonc56)CC4)o3)cc(C3CC3)c2)CC1,VUMNFOICBNUESK-UHFFFAOYSA-N
-rxn:4:219654:224009,COc1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)N1CCOCC1,DBIAWFUYQGAAKV-UHFFFAOYSA-N
-rxn:4:219654:225631,CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2)CC1,JXQLVCWAMGVPKL-UHFFFAOYSA-N
-rxn:4:219692:224718,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCN4CCOCC4)nc3)c3cnc(Cl)nc32)CC1,WQSNWFPSMPORNN-UHFFFAOYSA-N
-rxn:4:219704:225875,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(N5CCOCC5)cc4Cl)cc3n2)CC1,ROPWORHPEFEJOC-UHFFFAOYSA-N
-rxn:4:219707:227185,CN1CCOc2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cc21,POCSIPNMAUHBEC-UHFFFAOYSA-N
-rxn:4:219780:225518,CCCCCOc1ncc(C)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,XZJRWOUSSBHJRS-UHFFFAOYSA-N
-rxn:4:219867:223559,CCN1CCN(c2ncc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC1,JHNYCZHYKHDAHC-UHFFFAOYSA-N
-rxn:4:219894:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(C(=O)N4CCC(n5ccnn5)CC4)c3)c2)CC1,LSDKCEMRSACYKA-UHFFFAOYSA-N
-rxn:4:219894:223841,Cc1cc(F)c(-c2cccc(C(=O)N3CCC(n4ccnn4)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,WPXLXSQPOUGYLM-UHFFFAOYSA-N
-rxn:4:219901:224187,O=C(c1cccc(-c2ccc(OCCN3CCCCC3)cc2F)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,BWJOJPSMVHFSJW-UHFFFAOYSA-N
-rxn:4:219955:224592,N#CC1(c2ccc(F)c(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c2)CCCCC1,SQSBBGGOPWQBHM-UHFFFAOYSA-N
-rxn:4:219955:227684,O=C(C1CN(c2ncc(-c3cnn(CC4OCCO4)c3)cn2)CCO1)N1CCSCC1,SGWFXEFWGJEHKE-UHFFFAOYSA-N
-rxn:4:219975:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1,GTEGLIABRRJNJZ-UHFFFAOYSA-N
-rxn:4:220091:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4nc(N5CCN(C(=O)c6ccno6)CC5)sc4c3)c2)CC1,LHCLJIWFQILSDG-UHFFFAOYSA-N
-rxn:4:220209:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCCc2cnc(N3CCOCC3)nc21,BCHZHBIPCILUSZ-UHFFFAOYSA-N
-rxn:4:220226:226231,CCCCOc1ncc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)cc1C,OJZRRUNKPLZERD-UHFFFAOYSA-N
-rxn:4:220394:223841,Cc1cc(F)c(-c2cnc(N3CCN(C)CC3)c(C#N)c2)cc1S(=O)(=O)N1CCN(C)CC1,GUPADFXYSJCLEO-UHFFFAOYSA-N
-rxn:4:220396:223669,CN1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1=O,DTJFMKIMJNIHLN-UHFFFAOYSA-N
-rxn:4:220396:224729,COc1nccc(-c2cnc(N3CCN(C)C(=O)C3)c([N+](=O)[O-])c2)c1C(=O)OC(C)(C)C,ZEFKAMSKKGVUTJ-UHFFFAOYSA-N
-rxn:4:220405:224791,CC(C)OC(=O)c1ccc(-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)c([N+](=O)[O-])c1,LXCCQHHGVPGJHR-UHFFFAOYSA-N
-rxn:4:220429:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,NJMIGQFWTHKBKX-UHFFFAOYSA-N
-rxn:4:220430:225232,CC1CCN(c2cc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cnc2Cl)CC1,ULRPVPGSLLNVQP-UHFFFAOYSA-N
-rxn:4:220533:224915,Cc1cc(N2CCCCC2C)ccc1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,CZPFJLMBELLFBU-UHFFFAOYSA-N
-rxn:4:220535:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(-n4ccc5nc(N6CCOCC6)ncc5c4=O)cc3)c2Cl)CC1,KLZPIYMNLLCTFY-UHFFFAOYSA-N
-rxn:4:221088:223598,Fc1cc(-c2cnc(OCC3CCCN(Cc4nnc(C(F)(F)F)o4)C3)nc2)ccc1OCCN1CCC2(CC1)OCCO2,JWMDKMHKFFFGBR-UHFFFAOYSA-N
-rxn:4:221092:223959,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCN(CCn5cccn5)CC4)nc3)ccc2Cl)CC1,OVDIXDXCAFSAII-UHFFFAOYSA-N
-rxn:4:221094:224420,Cc1cc2c(cc1-c1cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c1)C(C)(C)CCC2(C)C,XHMCYPNBEDOKJP-UHFFFAOYSA-N
-rxn:4:221098:226527,CCOC(=O)c1ccc(F)cc1-c1cnc(OCC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)nc1,QQMMCLILAFXZMR-UHFFFAOYSA-N
-rxn:4:221103:225523,CCOC(=O)CCc1cccc(-c2cnc(OCC3CCCN(C(=O)Cn4cnc(C)cc4=O)C3)nc2)c1,ROUFJSGGLHCRIJ-UHFFFAOYSA-N
-rxn:4:221114:228810,CCOc1ccc(-c2cccc(Cl)c2SC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,IVDUHMGAFBKBTR-UHFFFAOYSA-N
-rxn:4:221116:229325,CCOc1ccc(-c2cscc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,ZTVZHUNEJLLARX-UHFFFAOYSA-N
-rxn:4:221121:223204,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6cc(C#N)ccc6[nH]5)ccc43)CC2)CC1,PCVUCJARFYNONN-UHFFFAOYSA-N
-rxn:4:221128:224731,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)OCC(C)(C)C)c5)cc4)nnn3c3ccccc23)C1,SOZDZQVPEAINIW-UHFFFAOYSA-N
-rxn:4:221130:223815,COc1ccccc1N1CCN(C(=O)CSc2nc3ccc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cc3c3nc4ccccc4n23)CC1,IKYZPVFXXNADBO-UHFFFAOYSA-N
-rxn:4:221174:223814,Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Cn2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cn2)C1,FTBLKCOGGLYDMV-UHFFFAOYSA-N
-rxn:4:221175:225056,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N5CCCC(C)C5)cc4F)cn3)C2)C(=O)C1=O,GDVFAHOJPZXXNH-UHFFFAOYSA-N
-rxn:4:221175:226339,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(C#N)cc(Cl)c4C4CC4)cn3)C2)C(=O)C1=O,WMCVHCLJUOFOQF-UHFFFAOYSA-N
-rxn:4:221175:227353,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(C)cc(OC)cc4OC)cn3)C2)C(=O)C1=O,ZKDOHYMXNJVRKO-UHFFFAOYSA-N
-rxn:4:221175:227557,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(Cl)c4OC)cn3)C2)C(=O)C1=O,LILKLTIWXOLYQW-UHFFFAOYSA-N
-rxn:4:221175:227566,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(F)c4OC)cn3)C2)C(=O)C1=O,ALOJHMSEUADJBZ-UHFFFAOYSA-N
-rxn:4:221175:227695,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(OC)cc([N+](=O)[O-])c4)cn3)C2)C(=O)C1=O,VBXFEECOIIPXME-UHFFFAOYSA-N
-rxn:4:221175:228205,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(N(C)C)c(Cl)c4)cn3)C2)C(=O)C1=O,SHCINKSVJIETJM-UHFFFAOYSA-N
-rxn:4:221175:228235,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccnc(F)c4C(C)C)cn3)C2)C(=O)C1=O,RZBKSZBSVZIZGA-UHFFFAOYSA-N
-rxn:4:221175:228361,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(N(C)C)ncc4F)cn3)C2)C(=O)C1=O,OUXISXCPFKKSNY-UHFFFAOYSA-N
-rxn:4:221175:228774,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4c(F)cccc4OC)cn3)C2)C(=O)C1=O,YRNMGKBXUVNDEP-UHFFFAOYSA-N
-rxn:4:221182:224791,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc(C(=O)OC(C)C)cc4[N+](=O)[O-])cn3)CC2)C1=O,NOMDAGYWEGNLRI-UHFFFAOYSA-N
-rxn:4:221188:224325,CC(C)c1nccc(N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)n1,OSWYXSBRIWRDLC-UHFFFAOYSA-N
-rxn:4:221198:224621,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCN5CCSCC5)cc4)cn3)CC2)nn1,KXBKRUZCKYXLID-UHFFFAOYSA-N
-rxn:4:221263:225975,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,QLLJNQQZXOUMOV-UHFFFAOYSA-N
-rxn:4:221287:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CC(Cn3cc(Cl)cn3)C2)c(C#N)c1,IHBYLILQTKATCJ-UHFFFAOYSA-N
-rxn:4:221330:222602,CSc1ncc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)c(N2CC(Cn3ccnc3C)C2)n1,GOUHRIZEDSEUPU-UHFFFAOYSA-N
-rxn:4:221353:223831,COc1ccc(-c2cncc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)c2)cc1S(=O)(=O)N1CCC(C)CC1,POJGHDMUGUSZJZ-UHFFFAOYSA-N
-rxn:4:221393:225825,CN1CCN(c2ccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)cn2)CC1,AUGZHJVUQKUADS-UHFFFAOYSA-N
-rxn:4:221404:222389,CN(C)c1nccc(N2CCN(Cc3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)CC2)n1,LHSHDZYRXHOVFD-UHFFFAOYSA-N
-rxn:4:221420:222899,CCCCNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,FYMVNOBMHMEFGU-UHFFFAOYSA-N
-rxn:4:221420:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1F,LXYSFGCZEFFSJD-UHFFFAOYSA-N
-rxn:4:221426:226686,Cc1cnn(C2CCCCO2)c1-c1ccccc1CN1CCN(c2nccc(N3CCOCC3)n2)CC1,MTMUPAQAJUVJSL-UHFFFAOYSA-N
-rxn:4:221440:223145,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCC(=O)N5)cc4)cc3)CC2)n1,RQTDZCDBEDJLMT-UHFFFAOYSA-N
-rxn:4:221440:226658,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC5)nc4F)cc3)CC2)n1,AUMUQLMNYPNDAP-UHFFFAOYSA-N
-rxn:4:221440:227085,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCC5)nc4)cc3)CC2)n1,ZFRWNIKZZYGORI-UHFFFAOYSA-N
-rxn:4:221440:227300,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(OC5CCC5)c4)cc3)CC2)n1,GOVWQXVLYHXUIX-UHFFFAOYSA-N
-rxn:4:221440:227343,COC(=O)c1cc(C)cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)c1,XENSVEYJOUUKAM-UHFFFAOYSA-N
-rxn:4:221446:223173,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4ccc5c(c4)C(O)CS5(=O)=O)cc3)CC2)n1,KNNCIRNWCCWFNF-UHFFFAOYSA-N
-rxn:4:221447:223173,Cc1cc(N2CCN(Cc3ccc(-c4ccc5c(c4)C(O)CS5(=O)=O)cc3)CC2)nc(N2CCOCC2)n1,HZWXFVCEIWXMFP-UHFFFAOYSA-N
-rxn:4:221448:226730,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4cnc(OC5CCC5)nc4Cl)cc3)CC2)n1,SGDKFCVJUWAFOF-UHFFFAOYSA-N
-rxn:4:221449:227991,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4C4CC4)cc3)CC2)n1,DEFRMUWPUKQJFF-UHFFFAOYSA-N
-rxn:4:221449:228223,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CC5)nc4F)cc3)CC2)n1,DDLYEGVWICANCL-UHFFFAOYSA-N
-rxn:4:221456:223132,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(N5CCNCC5)c4)cc3)CC2)n1,KVSJCNLHKHFSOK-UHFFFAOYSA-N
-rxn:4:221456:225455,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5)ccc4C)cc3)CC2)n1,VSSPJMMHGNPODU-UHFFFAOYSA-N
-rxn:4:221456:227794,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])cc(Cl)c4F)cc3)CC2)n1,QRPAUEABHKMKOP-UHFFFAOYSA-N
-rxn:4:221456:227827,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)ccc4C)cc3)CC2)n1,OCVYDGAMCGNUJA-UHFFFAOYSA-N
-rxn:4:221456:227958,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCC5)c4)cc3)CC2)n1,MCQMEHTYSVVYIV-UHFFFAOYSA-N
-rxn:4:221456:227966,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4C(C)(C)C)cc3)CC2)n1,VCUVTJZVUNADBJ-UHFFFAOYSA-N
-rxn:4:221456:228108,CCc1ncc(C#N)cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,LUZWCBRXXAAAIN-UHFFFAOYSA-N
-rxn:4:221456:228189,CCSc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)c1,GAMPFFREVCJMNF-UHFFFAOYSA-N
-rxn:4:221456:228623,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4sccc4C4CCC4)cc3)CC2)n1,NKLPDTYOJXOPAS-UHFFFAOYSA-N
-rxn:4:221614:223969,COCn1nc(-c2cc(C(F)(F)F)ccc2N2CCC(C)CC2)nc1N1CCCN(C)CC1,IUKLJLQDJJYUOL-UHFFFAOYSA-N
-rxn:4:221614:224653,COCn1nc(-c2ccc(Cl)cc2OCC2CCCCO2)nc1N1CCCN(C)CC1,ZMTBQZCXFLTBSL-UHFFFAOYSA-N
-rxn:4:221645:222696,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4ccc(F)c(C(=O)N5CCC(O)CC5)c4)cn3)CC2)n1,XGYATBYDBINSIZ-UHFFFAOYSA-N
-rxn:4:221726:224953,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(OCC4CCCCC4)nc3)cn2)CC1,OJPGXLCUEQETKA-UHFFFAOYSA-N
-rxn:4:221726:225080,COC(=O)C1CCc2cc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)ccc2O1,JPUFTARCIQRVHI-UHFFFAOYSA-N
-rxn:4:221736:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CC3CN(c4nc(C)nc5c4CCC5)CC3C2)c1,JOANQGDBIPXWIS-UHFFFAOYSA-N
-rxn:4:221742:223812,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,JNJWNNLBLSTDSY-UHFFFAOYSA-N
-rxn:4:221752:222584,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)n(C)c1=O,VKRBXYKTTPTKJQ-UHFFFAOYSA-N
-rxn:4:221752:222634,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,RGONYAAXEIOBGL-UHFFFAOYSA-N
-rxn:4:221831:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCN(c5nccn6nccc56)CC4)c3)cc2[N+](=O)[O-])CC1,GWCILGUKJYFDCC-UHFFFAOYSA-N
-rxn:4:221836:222828,O=S1(=O)N=C(N2CCCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)cn3)CC2)c2ccccc21,JRILFWOEQSSJTD-UHFFFAOYSA-N
-rxn:4:221836:224179,CN1CCN(CCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,ZJHIXMLAWGOQPE-UHFFFAOYSA-N
-rxn:4:221943:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CC(n5cc(CN6CCCC6=O)nn5)C4)c3)cc2Cl)CC1,IMHFBHLJDIOWHY-UHFFFAOYSA-N
-rxn:4:221945:223539,CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(OC)c(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)c4)C3)nn2)n1,IOHVXSAHPBAXMR-UHFFFAOYSA-N
-rxn:4:221951:222807,COc1nccnc1N(C)CC1CCN(c2ncc(-c3cc(C(=O)NC4CC4)cc([N+](=O)[O-])c3)cn2)CC1,BDHKFCUGRPTOMH-UHFFFAOYSA-N
-rxn:4:221965:224751,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(C(=O)N6CCOCC6)c5)cc4)CC3)nn2)CC1,KJQGCJNEYQSSTH-UHFFFAOYSA-N
-rxn:4:221965:225977,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(Cl)cnc5N5CCOCC5)cc4)CC3)nn2)CC1,DTKONPNREVSBIB-UHFFFAOYSA-N
-rxn:4:221978:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)c2Cl)CC1,FDECLSIQLFMJOH-UHFFFAOYSA-N
-rxn:4:221992:223490,Cc1ccc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCN(C(=O)c5ccco5)CC3)c3ccccc34)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QCVABKPOPFELMZ-UHFFFAOYSA-N
-rxn:4:221994:225975,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccnc(N6CCOCC6)c5Cl)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,BGFYOYHSFFYMJF-UHFFFAOYSA-N
-rxn:4:222049:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3CCN(c4ccc(-n5nc(C)cc5C)nn4)CC3)c2)CC1,VTERJCLRLTXSFW-UHFFFAOYSA-N
-rxn:4:222056:222695,Cc1ccc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,JDJWVVFLGHGWBJ-UHFFFAOYSA-N
-rxn:4:222062:226466,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc5c(c4)OCC(=O)N5C)cc3)CC2)n1,QZEZMYHATFYSLI-UHFFFAOYSA-N
-rxn:4:222062:228008,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C5CC5)c4)cc3)CC2)n1,LFGPFDUQVOXXLW-UHFFFAOYSA-N
-rxn:4:222062:228888,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C#N)ncc4F)cc3)CC2)n1,UEUOPMJMCHWPQM-UHFFFAOYSA-N
-rxn:4:222077:223712,COc1ccc(-c2cnc(OCC3CCCN(c4nccn5nccc45)C3)nc2)cc1C12CC3CC(CC(C3)C1)C2,WAWDIHWSCWKADN-UHFFFAOYSA-N
-rxn:4:222088:222900,CC(C)(C)OC(=O)NCc1cc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)c2)cs1,TWLHFAZLXLYXEK-UHFFFAOYSA-N
-rxn:4:222096:222607,Cn1c(N2CCC(COc3ncc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)nc2cccnc21,BNASQCQRKGEESA-UHFFFAOYSA-N
-rxn:4:222106:224485,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5ccn([Si](C(C)C)(C(C)C)C(C)C)c5)no4)C3C2=O)cc1F,HITFHYKNZMHUSV-UHFFFAOYSA-N
-rxn:4:222107:223010,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccc(C7(O)CCOCC7)cc6)c5)no4)C3C2=O)cc1F,TYJFDNNXZUEOPY-UHFFFAOYSA-N
-rxn:4:222108:224582,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(N7CCN(C8CC8)CC7)c6)cc5)no4)C3C2=O)cc1F,DXKBPQPXMIUEBC-UHFFFAOYSA-N
-rxn:4:222159:223993,CCc1cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cn3)CC2)nc(C)n1,PDGOPAPCTLVQNB-UHFFFAOYSA-N
-rxn:4:222188:224485,CCc1ncnc(N2CC3CN(c4ncc(-c5ccn([Si](C(C)C)(C(C)C)C(C)C)c5)cn4)CC3C2)c1F,OVPCGBCVNSEGBF-UHFFFAOYSA-N
-rxn:4:222193:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c2)CC1,DYRBTNMCSUPEKM-UHFFFAOYSA-N
-rxn:4:222229:224193,CCN1CCN(Cc2cc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)ccc2F)CC1,VYMGJUXEZDTIJN-UHFFFAOYSA-N
-rxn:4:222273:225218,CC1CCCN(c2ncc(-c3cncc(C(=O)N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)c3)cc2Cl)C1,MKEKQRBWJQDONZ-UHFFFAOYSA-N
-rxn:4:222323:224008,CN(C)c1ccc(N2CCN(c3ncc(-c4cc(C(=O)N5CCOCC5)cc([N+](=O)[O-])c4)cn3)CC2)nn1,CMIOJGSWJPGDSV-UHFFFAOYSA-N
-rxn:4:222332:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1,WOMSHAOGUZSZPC-UHFFFAOYSA-N
-rxn:4:222337:223528,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,CCXCXSRIORXPIY-UHFFFAOYSA-N
-rxn:4:222337:225674,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cnc(C5CCCCC5)cc4F)cn3)CC2)n1,ZLFQMVMPBHHPES-UHFFFAOYSA-N
-rxn:4:222338:225833,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccnc(N5CCCCC5)c4F)cn3)CC2)n1,DXCPIINBKOOXML-UHFFFAOYSA-N
-rxn:4:222360:224372,COCCn1cnc2c(N3CCN(c4ncc(-c5cc(C(=O)N6CCCC6)cc([N+](=O)[O-])c5)cn4)CC3)ncnc21,NRFCEVDYSNQUTJ-UHFFFAOYSA-N
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-rxn:5:190744:223064:225982,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,MBJMRCXYRFQWOK-UHFFFAOYSA-N
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-rxn:5:196620:223064:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCC2=O)c(-c2ccc(C3CCNCC3)nc2F)c1,VVDBUVHTSHZXPN-UHFFFAOYSA-N
-rxn:5:196620:223064:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCC2=O)c(-c2ccc(C3CCNCC3)nc2F)c1,IRSLPBJZOVJHHC-UHFFFAOYSA-N
-rxn:5:196670:225832:225639,Cc1nn(C2CCCCO2)c(C)c1-c1ccnc(-c2cccnc2N2CCC(C)CC2)c1C1CCCC1,UESJPCVLJJIJRQ-UHFFFAOYSA-N
-rxn:5:196789:225976:225655,CC1CCN(c2cncc(-c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3N3CCOCC3=O)c2)CC1,LRFIILXVBCNRHD-UHFFFAOYSA-N
-rxn:5:196858:222985:222988,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCNCC2)n1,ZJAVRMRDNMDPRV-UHFFFAOYSA-N
-rxn:5:196858:226652:223062,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cnc(C3CCNCC3)cc2F)n(C2CCCCO2)n1,JJUMKCJPUKLKCY-UHFFFAOYSA-N
-rxn:5:196859:223007:226652,Cc1cc(-c2nccc(C3CCOCC3)c2-c2cc(F)cc(C3CCNCC3)c2)n(C2CCCCO2)n1,TZGJAMVLPVKJQW-UHFFFAOYSA-N
-rxn:5:196859:223061:222988,Cc1cc(-c2nccc(C3CCOCC3)c2-c2cc(C3CCNCC3)ncc2F)cc(C2CCNCC2)n1,MCTJPCHPKSLOPS-UHFFFAOYSA-N
-rxn:5:196859:227386:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1cnn(C2CCCCC2)c1,SIRDBEAWGVEJCE-UHFFFAOYSA-N
-rxn:5:196870:225832:227610,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccn(C3CCCCO3)n2)cc(N2CCOCC2)c1,AHBHHHPOKOZCNG-UHFFFAOYSA-N
-rxn:5:196871:225407:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(N2CCOCC2)c1,MPKFHJLZHQSRIQ-UHFFFAOYSA-N
-rxn:5:196873:223061:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(N2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,ZBZZFXHWCPFFHS-UHFFFAOYSA-N
-rxn:5:196916:223062:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2cnc(C3CCNCC3)cc2F)c1,XZYONJBQQGUHIW-UHFFFAOYSA-N
-rxn:5:196916:223062:225931,Cc1cc(-c2ccc(N3CCCCC3=O)c(-c3cnc(C4CCNCC4)cc3F)c2)cc(S(=O)(=O)N(C)C)c1,NICGIQQIUGSYNK-UHFFFAOYSA-N
-rxn:5:196916:223064:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2ccc(C3CCNCC3)nc2F)c1,DMIXBRIZJWATGR-UHFFFAOYSA-N
-rxn:5:196916:223064:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCCC2=O)c(-c2ccc(C3CCNCC3)nc2F)c1,UKGMRXYSWRHLSR-UHFFFAOYSA-N
-rxn:5:196916:225925:226366,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1CCCCC1=O,BWURKMVRWCPEBP-UHFFFAOYSA-N
-rxn:5:196917:226028:223132,CC1(C)COC(c2cc(-c3cccc(N4CCNCC4)c3)ccc2-c2ccc(C(F)(F)F)c(C#N)c2F)=N1,WVMSHFSBPSRJJF-UHFFFAOYSA-N
-rxn:5:196918:225636:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2c(-c3ccnc(N4CCC(C)CC4)c3)cccc2N2CCCCC2=O)c1,ONUVQEYKSGPDAA-UHFFFAOYSA-N
-rxn:5:196922:225925:226177,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(C3CCCCC3)c2)cc(N2CCCCC2=O)c1,QEAFNSVVMNTWBS-UHFFFAOYSA-N
-rxn:5:196922:226382:225931,Cc1cc(-c2cc(-c3cnc(C4CCCCC4)nc3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,BLERJMIHMSWYGH-UHFFFAOYSA-N
-rxn:5:196969:222959:222985,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCCNC3)nc2C)ccc1C1CCNCC1,WCJWJVFMGBVZCU-UHFFFAOYSA-N
-rxn:5:196969:225832:226159,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cccc(N2CCCCC2)c1,XCRDHXRBJQGJQD-UHFFFAOYSA-N
-rxn:5:196970:226644:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cncc(N2CCOCC2)c1,SVJMTLRKZRUDKT-UHFFFAOYSA-N
-rxn:5:197169:225986:225653,CC1CCCCN1c1ccc(-c2cc3c(c(-c4ccccc4N4CCCS4(=O)=O)c2)OCC(C#N)=C3)cn1,SEVQKRYTRPCPHM-UHFFFAOYSA-N
-rxn:5:197876:227415:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ACHMCRFPNOJISA-UHFFFAOYSA-N
-rxn:5:199129:225674:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCCC3)cc2F)cc2c1OCCN=C2,WFWBMKLNOQILKC-UHFFFAOYSA-N
-rxn:5:225454:193870:229092,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)nn(C)c2C)cc1-c1ccc(C2=CCN(C)CC2)cc1,OSAKXUPCLGORIA-UHFFFAOYSA-N
-rxn:5:225456:193869:228577,CC#Cc1cncc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(C4CCN(C)CC4)cc3)cc2C)c1,CBRVVYLMUAXPRW-UHFFFAOYSA-N
-rxn:5:225636:193055:225986,CC1CCN(c2cc(-c3ccc(C4(C#N)CCCC4)c(-c4ccccc4N4CCCS4(=O)=O)c3)ccn2)CC1,HHLZMHNRXUYSTM-UHFFFAOYSA-N
-rxn:5:225636:196922:225931,Cc1cc(-c2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,OUXDKUPIZXLNKO-UHFFFAOYSA-N
-rxn:5:225639:196918:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2c(-c3cccnc3N3CCC(C)CC3)cccc2N2CCCCC2=O)c1,UYGLBPLLFFIKEF-UHFFFAOYSA-N
-rxn:5:225656:193972:228987,Cc1cc(C)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cncc(N4CCCCC4C)c3)cc2C)c1,MTCQSMUAHWXUGA-UHFFFAOYSA-N
-rxn:5:225677:196971:222988,Cc1cc(-c2cc(-c3ccc(C4CCCCC4)nc3F)ncc2C2CCCCC2)cc(C2CCNCC2)n1,HPAHWRGHPUZQEL-UHFFFAOYSA-N
-rxn:5:225679:193972:229065,Cc1cc(-c2ccc(N3CCCCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(C#N)c1,WMROJMCWUAMOJD-UHFFFAOYSA-N
-rxn:5:225683:181904:222959,Cc1cc(-c2c(-c3ccc(C4CCCOC4)nc3C)ccc(C3OCCO3)c2C)ccc1C1CCNCC1,XCMAAKXGURCENO-UHFFFAOYSA-N
-rxn:5:225683:181908:222986,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)n1,MUBBWHWVOYQDOA-UHFFFAOYSA-N
-rxn:5:225683:196970:222988,Cc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCCOC3)nc2C)cc(C2CCNCC2)n1,YLAQAJKSUSHTLU-UHFFFAOYSA-N
-rxn:5:225703:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc3sc(C(=O)OC)cc3c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZIKRGTUQMMFKFF-UHFFFAOYSA-N
-rxn:5:225832:181625:222956,Cc1ccc(-c2ccc(-c3c(C)nn(C4CCCCO4)c3C)c(C3OCCO3)c2)c(C2CCCNC2)c1,LARSBVNORSRFHK-UHFFFAOYSA-N
-rxn:5:225832:196188:222981,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(NC3CCCCC3)c2)ccc1C1=NOCC1,FKZZCNTWDAWJIH-UHFFFAOYSA-N
-rxn:5:225832:196408:223142,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCNC3)nc2)ccc1C1=NOCCO1,YZAMDKBIEHOEBI-UHFFFAOYSA-N
-rxn:5:225832:196859:227613,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1cnn(C2CCOCC2)c1,CFUWSQUKWAMRRJ-UHFFFAOYSA-N
-rxn:5:225925:196916:226366,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1CCCCC1=O,BWURKMVRWCPEBP-UHFFFAOYSA-N
-rxn:5:225931:196922:226382,Cc1cc(-c2cc(-c3cnc(C4CCCCC4)nc3)cc(N3CCCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,BLERJMIHMSWYGH-UHFFFAOYSA-N
-rxn:5:225985:192566:223058,N#CC1(c2cc(-c3cccc(N4CCCS4(=O)=O)c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2)CCC1,RJKBMWOMSMPARU-UHFFFAOYSA-N
-rxn:5:225985:193054:226414,O=C(c1cccc(-c2cccc(N3CCCS3(=O)=O)c2)c1-c1ccc(C2=NCCCO2)cc1)N1CCCC1,YESGDRQNKYLNOO-UHFFFAOYSA-N
-rxn:5:225986:197169:225653,CC1CCCCN1c1ccc(-c2cc3c(c(-c4ccccc4N4CCCS4(=O)=O)c2)OCC(C#N)=C3)cn1,SEVQKRYTRPCPHM-UHFFFAOYSA-N
-rxn:5:226058:178295:228505,CCCc1ccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,MDMUWYPKWVTZOU-UHFFFAOYSA-N
-rxn:5:226058:178295:228685,COCc1cncc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IHXLMUNFIYWIOZ-UHFFFAOYSA-N
-rxn:5:226068:178295:225419,CCOc1cc2ccccc2cc1-c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,VIVSQBIWMOPLAT-UHFFFAOYSA-N
-rxn:5:226084:178295:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,XCBAUAXVAOUOBF-UHFFFAOYSA-N
-rxn:5:226140:189207:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C(C)(C)C)ccc2OC)cc1C(=O)ON1C(=O)CCC1=O,FQYHULIFASEPJH-UHFFFAOYSA-N
-rxn:5:226176:180421:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1ccncc1C1CCCCC1,HELYURCLMAJBNT-UHFFFAOYSA-N
-rxn:5:226182:180022:223002,COc1c(-c2ccc(C3CCNCC3)cc2F)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,JYXIZZSLJSLHFL-UHFFFAOYSA-N
-rxn:5:226366:193870:228254,COc1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c(C)c1F,SHZMCDLLODJQNV-UHFFFAOYSA-N
-rxn:5:226414:193052:225985,O=C(c1ccc(-c2ccc(C3=NCCCO3)cc2)cc1-c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1,QCSYRCBWFVMUQX-UHFFFAOYSA-N
-rxn:5:226425:177190:222994,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc(N3CCCCC3C)s2)c1,CTBOSEGRYVVCJT-UHFFFAOYSA-N
-rxn:5:226425:177190:225462,CCS(=O)(=O)Cc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCCCC3C)s2)c1,BHSMQJZCBTZETA-UHFFFAOYSA-N
-rxn:5:226425:182010:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(N3CCCCC3C)s2)c1,BUFRYFQGRYGSSN-UHFFFAOYSA-N
-rxn:5:226464:180421:222996,COc1ccc2c(c1-c1cc(CC3CCCCC3)ccc1-c1ccc(F)cc1C1CCCNC1)OCCO2,UOMXSDUPMJFBQI-UHFFFAOYSA-N
-rxn:5:226580:178295:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,VYYWMFMOUNOGSU-UHFFFAOYSA-N
-rxn:5:226652:196971:222996,Cc1cc(-c2cc(-c3ccc(F)cc3C3CCCNC3)c(C3CCCCC3)cn2)n(C2CCCCO2)n1,JBLMYCGLEQUPGF-UHFFFAOYSA-N
-rxn:5:226654:196859:223063,CC1CCN(c2nc(-c3c(C4CCOCC4)ccnc3-c3cc(F)nc(C4CCNCC4)c3)cs2)CC1,OYYNYIOZBLOFKI-UHFFFAOYSA-N
-rxn:5:226685:196969:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cnc(C2CCOCC2)nc1,XLLZUXVQKXGCOP-UHFFFAOYSA-N
-rxn:5:226686:180022:225499,COc1c(-c2ccc(C3CCCCC3)cc2F)ccc(-c2c(C)cnn2C2CCCCO2)c1C1OCCO1,RULIQXBZJASURN-UHFFFAOYSA-N
-rxn:5:226686:181905:222956,Cc1ccc(-c2ccc(C)c(-c3c(C)cnn3C3CCCCO3)c2C2OCCO2)c(C2CCCNC2)c1,HIGWUOGKNVBZLW-UHFFFAOYSA-N
-rxn:5:226686:181905:223004,Cc1ccc(-c2ccc(C3CCNCC3)c(F)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,TWEGOVUQFDRAJL-UHFFFAOYSA-N
-rxn:5:226769:178295:228594,CCc1cc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C)n1,GMZFPYCJIIXVFD-UHFFFAOYSA-N
-rxn:5:226769:178467:227568,CCOC(=O)C1=Cc2cc(-c3c(F)cc(OC)cc3OC)cc(-c3cc(C(=O)OC)cc(F)c3F)c2OC1,CVEZPJNQZQMVNZ-UHFFFAOYSA-N
-rxn:5:226772:178295:228517,CC#Cc1ccccc1-c1ccc(-c2c(F)cc(C(=O)OC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,HZGUMCRPXOXKCY-UHFFFAOYSA-N
-rxn:5:226782:178295:228550,CCCc1cc(-c2ccc(-c3cc(F)c(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,VFMHOMDFEDJXGU-UHFFFAOYSA-N
-rxn:5:226907:178295:227816,CCCc1ccc(-c2ccc(-c3cccc4c3CCC43CC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,ZLICXAABTXKEED-UHFFFAOYSA-N
-rxn:5:226910:178295:228317,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,RYGMZFWPYFCTBA-UHFFFAOYSA-N
-rxn:5:226911:178295:227102,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C(C)(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,ZBAGJADFXYUBIK-UHFFFAOYSA-N
-rxn:5:226911:178295:227811,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(CC(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,XYKVEQBKJWYQGS-UHFFFAOYSA-N
-rxn:5:226911:178295:228566,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccsc2CC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,CZDHUHDQRPGHJX-UHFFFAOYSA-N
-rxn:5:226920:190484:227409,Cc1ccc(C(C)(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,WMJALFCTTSTAMO-UHFFFAOYSA-N
-rxn:5:226923:178295:227816,CCCc1ccc(-c2ccc(-c3cc(C)c(C4CC4)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RBUSNVPUQUZKRE-UHFFFAOYSA-N
-rxn:5:226924:178295:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C)cc(C3CC3)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,AXZJAJNVSHQTAT-UHFFFAOYSA-N
-rxn:5:226969:178295:228278,COC(=O)C1(c2cc(-c3cc(F)c(C)cc3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,CZLSMAZVDPHOCR-UHFFFAOYSA-N
-rxn:5:226969:178295:228395,COC(=O)C1(c2cc(-c3cc(F)c(F)cc3OC)ccc2-c2ccc3c(c2)CCCC3=O)CCC(=O)CC1,XXWCQNWWVSNHHG-UHFFFAOYSA-N
-rxn:5:227069:178295:227314,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3F)ccc2-c2ccc(OC)cc2C(C)C)CCC(=O)CC1,RULJVRIQTOHYLL-UHFFFAOYSA-N
-rxn:5:227069:178295:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(OC)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,MAIITHHHPJVSGK-UHFFFAOYSA-N
-rxn:5:227076:178295:226322,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KOJUIYCSWJRPQY-UHFFFAOYSA-N
-rxn:5:227077:178295:227696,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KPYRLQNEGTUROA-UHFFFAOYSA-N
-rxn:5:227077:178295:228276,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KKIDQUOCTILJCR-UHFFFAOYSA-N
-rxn:5:227077:178295:228317,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,BDGRFCATANDNSX-UHFFFAOYSA-N
-rxn:5:227078:178295:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2cc(OC)ccc2C2CC2)CCC(=O)CC1,KHAVLNJDZMCMLB-UHFFFAOYSA-N
-rxn:5:227206:178295:228157,COC(=O)C1(c2cc(-c3ccc(OC)cc3OC)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,LGDIFFWYYIVKFN-UHFFFAOYSA-N
-rxn:5:227276:178295:227048,CCc1cc(N(C)C)ncc1-c1ccc(-c2ccc(C(=O)C(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,MSNBVQCGBIPGEE-UHFFFAOYSA-N
-rxn:5:227290:178295:227346,CCCc1cc(F)c(-c2ccc(-c3cccc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,MJHDWTBSVCIWDZ-UHFFFAOYSA-N
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