SMILE
stringlengths 1
100
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stringlengths 3
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|---|---|
CC1(C)C(C(=O)N2CCCC(c3nc(-c4ccccc4)no3)C2)C1(C)C | [C][C][Branch1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Ring1][P][C][Ring2][Ring1][#Branch1][Branch1][C][C][C] |
O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCc2ccc(F)c(C(F)(F)F)c2)cc1 | [O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CC(C)CC(N)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1 | [C][C][Branch1][C][C][C][C][Branch1][C][N][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CCN(CC)CCN1C(=O)c2c(c3sccc3c3ccoc23)C1=O | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][P][C][S][C][=C][C][=Ring1][Branch1][C][C][=C][O][C][Ring1][N][=Ring1][Branch1][C][Ring1][S][=O] |
CC(c1ccccn1)N(C)Cc1ccc(-n2cncn2)cc1 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O] |
O=C(NN=Cc1c[nH]c2c1ccc1ccccc12)c1ccc([N+](=O)[O-])cc1 | [O][=C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CC1(C)NC(C(=O)c2ccccc2)=[N+]([O-])C1(O)c1ccccc1 | [C][C][Branch1][C][C][N][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N+1][Branch1][C][O-1][C][Ring1][#C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCCNC(=O)C1CC(Br)=NO1 | [C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][Br][=N][O][Ring1][=Branch1] |
CC(C)(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][O][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring2] |
CC1(O)CC(c2nc(-c3ccc(C(=O)c4ccccc4)c(Cl)c3)c3c(N)nccn23)C1 | [C][C][Branch1][C][O][C][C][Branch2][Ring2][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C][=C][C][Branch1][C][N][=N][C][=C][N][Ring2][Ring1][=Branch2][Ring1][#Branch1][C][Ring2][Ring1][=C] |
CCCC1=[N+]([O-])c2ccccc2C1=O | [C][C][C][C][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CC(NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)OCc1ccccc1 | [C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][N][Branch1][P][C][=N][C][Branch1][C][Cl][=N][C][NH1][C][=N][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1oc(-c2cccc(Br)c2)nc1CN(Cc1ccc(OC(C)(C)C(=O)O)cc1)Cc1ccco1 | [C][C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][O][Ring1][Branch1] |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCC(=O)N3CCCC3)no2)cc1C#N | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][C][#N] |
O=c1[nH]c(=O)c2nc(S)n(-c3ccccc3)c2[nH]1 | [O][=C][NH1][C][=Branch1][C][=O][C][N][=C][Branch1][C][S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][NH1][Ring1][P] |
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1=O | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][N][C][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=N][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2][=O] |
Cc1cc2nc(N)n(Cc3cccc(F)c3)c2cc1C | [C][C][=C][C][N][=C][Branch1][C][N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][=C][C][=C][Ring2][Ring1][C][C] |
CCC(CC)N=c1c(O)c(O)c1=Nc1cccc(C(=O)N(C)C)c1O | [C][C][C][Branch1][Ring1][C][C][N][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Ring1][=Branch1][=N][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O][O] |
O=C1NC(c2ccc(Cl)cc2)(C2CC2)C(=O)N1CN1CCc2ccccc2C1 | [O][=C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][S][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
COC(=O)C(NC(=O)CCC(=O)C=Cc1ccc2c(c1)OCO2)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][C] |
CC(C)NC1=NCCN1OCc1ccccc1 | [C][C][Branch1][C][C][N][C][=N][C][C][N][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(O)c1cnc2cc(OCCc3ccc(Br)cc3)ccc2c1O | [O][=C][Branch1][C][O][C][=C][N][=C][C][=C][Branch1][#C][O][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][O] |
O=c1n(Cc2nnc(S)s2)nnn1-c1ccccc1 | [O][=C][N][Branch1][N][C][C][=N][N][=C][Branch1][C][S][S][Ring1][=Branch1][N][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4c(Br)cc(O)c5c4C3(CCN1CC1CC1)C2O5 | [C][O][C][C][C][C][Branch2][Ring1][Ring2][C][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=C][Branch1][C][Br][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Ring2][Ring1][Branch1][Branch1][N][C][C][N][Ring1][=C][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][S][O][Ring1][N] |
Cc1cccc(O)c1Nc1nc2ccc(N(C)C(=O)C=CCN(C)C)cc2n2cncc12 | [C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Branch1][P][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][N][Branch1][C][C][C][C][=C][Ring1][S][N][C][=N][C][=C][Ring2][Ring1][#Branch1][Ring1][Branch1] |
CC(C)c1ccccc1NS(=O)(=O)N(C)C | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] |
CCCCC1=Cc2cc3c(cc2C1N(C)C)OCO3 | [C][C][C][C][C][=C][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][Branch1][C][C][C][O][C][O][Ring1][O] |
CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N(C)C(C)(c2ccccc2)C1=O | [C][C][C][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][O][C][=Ring1][O][C][Branch1][Ring2][C][C][C][=C][Ring2][Ring1][C][O][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O] |
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3cccc(Cl)c3)c(F)c2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][=C] |
O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)c(N3CCN(c4nc(N5CCCCC5)nc(N5CCCCC5)n4)CC3)c(F)cc2c1=O | [O][=C][Branch1][C][O][C][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Branch1][C][F][C][Branch2][Ring2][#Branch2][N][C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][=C][Branch1][C][F][C][=C][Ring2][Ring1][S][C][Ring2][Ring2][#C][=O] |
CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCO4)CC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][O][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#C] |
CN(CCCCN1CCCC1)CCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1 | [C][N][Branch1][N][C][C][C][C][N][C][C][C][C][Ring1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
FC(F)(F)c1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][S] |
OCc1nn2c3c(cnc2c1-c1ccc(C(F)(F)F)cc1)CNC3(Cc1cccc(F)c1)C1CC1 | [O][C][C][=N][N][C][=C][Branch2][Ring1][O][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][N][C][Ring2][Ring1][Ring1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] |
COCCCC(=O)N1CC(=O)Nc2cc(Br)ccc21 | [C][O][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][N] |
NNC(=O)c1cc2ccccc2o1 | [N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CC1CC(=O)Nc2ccccc2C1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
O=C(NC1CC1)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Branch2] |
COP(=O)(OC)C(OC(=O)COc1cccc(F)c1)c1ccccc1 | [C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
OCc1ccc(Cl)cc1 | [O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CC(CC(=O)NN)Nc1ccc2ccccc2c1 | [C][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][N][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
O=[N+]([O-])c1ccc(-c2ccc(C=Nc3cccc4ccccc34)o2)cc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CCOc1ccc(C(C)=NNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][C][C][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][=Branch1] |
CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccc(-n3cncn3)cc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][#C][O][C][C] |
Cc1cc(C)n(Cc2ccc(C(=O)N3CCOCC3(C)C)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][Branch1][C][C][C][C][=C][Ring1][S][N][=Ring2][Ring1][#Branch1] |
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2Br)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br][=C][Ring2][Ring1][Ring2] |
Oc1ccc(Br)cc1C(=S)NCc1ccc(Cl)c(Cl)c1 | [O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=S][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CC1CCCCC1NC(=O)c1cccc(OC(F)(F)F)c1 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
O=C(NC(Cc1c[nH]cn1)C(=O)O)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1 | [O][=C][Branch2][Ring1][C][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][NH1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1] |
O=C(O)CCCCCC(CNS(=O)(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1cccnc1 | [O][=C][Branch1][C][O][C][C][C][C][C][C][Branch2][Ring2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] |
C=CCONC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCc1n[nH]cc1-2 | [C][=C][C][O][N][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][=N][C][C][C][=N][NH1][C][=C][Ring1][Branch1][Ring1][=Branch2] |
CS(=O)(=O)Nc1ccc(OCC(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] |
Cc1ccc(CN2OC(C)(C)C3COc4ccc5c(=O)c(C)c(C)oc5c4C32)cc1 | [C][C][=C][C][=C][Branch2][Ring2][O][C][N][O][C][Branch1][C][C][Branch1][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][C][C][O][C][Ring1][=Branch2][=C][Ring1][=N][C][Ring1][P][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
COC(=O)C(NC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][C][Ring1][=C][Branch1][C][C][C][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][C][Branch1][C][C][C] |
CC(C)(C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)c1ccc(C#N)cn1 | [C][C][Branch1][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2] |
CC(C)(C)N=C(NC#N)Nc1cccc(C(=CCCCC(=O)O)c2cccnc2)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][=C][Branch1][Ring2][N][C][#N][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][#Branch2][=C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] |
O=[N+]([O-])C=Cc1ccc(Cl)cc1Cl | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CCOC(=O)COc1cccc(Nc2ncc(C)c(-c3cc4ccccc4o3)n2)c1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=N][C][=C][Branch1][C][C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring1][S][=C][Ring2][Ring1][#Branch1] |
NC(=O)c1ccccc1N1CCCCC1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
Cc1cc(C)c(S(=O)(=O)NC(Cc2ccc(-c3cccc(Nc4c(NC5CC5)c(=O)c4=O)c3)cc2)C(=O)O)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring2][N][C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Ring1][=Branch2][=O][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][Branch2] |
COc1cc(C)cc(OC)c1OC(=O)C(CC(=O)N1CCOCC1)N1CCOCC1 | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
O=C(NC1CC2CCC(C1)N2Cc1ccc2cc(F)ccc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | [O][=C][Branch2][Ring2][C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=C][Ring1][O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S] |
COc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Ring1][=Branch2][C] |
CCc1nc(N)nc(N)c1C#CC(C)c1cc(-c2ccc(C(=O)O)cc2)ccc1OC | [C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][#C][C][Branch1][C][C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][O][C] |
Cc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)o1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][=C][C][C][N][C][C][O][C][C][Ring1][=Branch1][O][Ring2][Ring1][O] |
Cc1csc2c1c(CC(=O)O)c(C)n2S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 | [C][C][=C][S][C][=C][Ring1][Branch1][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Branch1][C][C][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
COc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][O][=O] |
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][O] |
Cc1cccc2nc(-c3ccc(-c4ccc(NC(=O)NCc5cccc(F)c5)cc4)s3)[nH]c12 | [C][C][=C][C][=C][C][N][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][S][Ring2][Ring1][#Branch1][NH1][C][Ring2][Ring1][S][=Ring2][Ring1][N] |
C=CCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C | [C][=C][C][C][O][C][=C][C][=N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C] |
Cc1ccc(Cl)cc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)CC1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][N][=O][C][C][Ring2][Ring1][Branch2] |
COc1ccc(N2C(=O)CSC2c2cc3cc(Br)ccc3nc2Cl)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][Cl][C][=C][Ring2][Ring1][Branch2] |
CCOC(=O)CCC(NC(=O)c1ccc(NC(OC)c2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][C][C][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][Branch1][Ring1][O][C][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O][C][C] |
CSc1nc2ccccc2cc1C=C(C#N)c1cccc(Cl)c1 | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CCOc1ccccc1-n1cc2c(c1-c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][S][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C] |
CC1(C(=O)NC(Cc2ccc(I)cc2)C(=O)O)CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 | [C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][N][Ring2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 | [C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=COC1CC1 | [O][=C][O][C][C][C][Ring1][Ring1] |
O=C(Nc1cccc(Cc2nnc(O)c3ccccc23)c1)C(F)(F)F | [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][C][=N][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F] |
COc1ccc2c(c1)CCCN2c1nc(C)nc2oc(C)cc12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=N][C][Branch1][C][C][=N][C][O][C][Branch1][C][C][=C][C][Ring1][O][=Ring1][=Branch1] |
COCc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][S] |
O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCN2CCCC2C1 | [O][=C][Branch2][Ring1][S][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring2][Ring1][C][Ring1][#C][N][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2] |
O=C1C(O)c2ccccc2N1CCCCn1cc(COc2ccc(CNNc3ccnc4cc(Cl)ccc34)cc2)nn1 | [O][=C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][C][C][N][C][=C][Branch2][Ring2][Ring1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][N][=N][Ring2][Ring1][O] |
C=CCn1c(=S)n(C2OC(COC(C)=O)C3OC(C)(C)OC32)c2nc(N)nc(O)c21 | [C][=C][C][N][C][=Branch1][C][=S][N][Branch2][Ring1][N][C][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][Ring1][#C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][O][=C][Ring1][Branch2][Ring2][Ring1][O] |
CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCc1c[nH]c2ccccc12 | [C][C][Branch1][C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
Cn1cc(C(=O)Nc2ccc(C#N)cc2)c(OCc2cccc(C(F)(F)F)c2)n1 | [C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][N] |
CCNNc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O | [C][C][N][N][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O][O][C][=Branch1][C][=O][C][Ring2][Ring1][C][=O] |
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 | [O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C][C][C][C][C][Ring1][Ring1] |
O=C(O)c1cc(-c2cccc(OCc3ccccc3)c2)on1 | [O][=C][Branch1][C][O][C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][O][N][=Ring2][Ring1][Ring1] |
CNc1ccc(C#Cc2ccc(O)cc2)cc1 | [C][N][C][=C][C][=C][Branch1][=C][C][#C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] |
CC(NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)c1ccccc1 | [C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COC(=O)c1cccc(Sc2nc(N)c(C#N)c(-c3cccc(O)c3)c2C#N)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][S][S][C][=N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring1][S][C][#N][=C][Ring2][Ring1][=Branch2] |
COc1ccc(-c2cncc(C#N)c2Nc2ccc3cc[nH]c3c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2][O][C] |
CC(C)CC(O)(c1ccc(Cl)cc1)c1cncnc1 | [C][C][Branch1][C][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1] |
COC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1] |
COC(=O)c1cc(Nc2nccc(-c3ccn(C(CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][S][N][C][=N][C][=C][C][Branch2][Ring2][Ring1][C][C][=C][N][Branch2][Ring1][Ring2][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][C][=N][Ring2][Ring1][Branch2][=C][C][=N][Ring2][Ring1][#C] |
CN(C)CCCCCOc1ccccc1CCc1ccccc1 | [C][N][Branch1][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COC(COCc1ccccc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 | [C][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1] |
CN1CCN(c2cc3c(cc2Cl)CCN3C(=O)Nc2cc(OC(F)(F)F)cc(-c3cccnc3)c2)CC1 | [C][N][C][C][N][Branch2][Branch1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P][C][C][Ring2][Ring2][Ring2] |
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C1CC(c1ccc([N+](=O)[O-])cc1)C2C(=O)OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][S][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O][C] |
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