SMILE
stringlengths 1
100
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stringlengths 3
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|---|---|
COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCCC1CCCC1 | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C][C][C][C][C][C][C][Ring1][Branch1] |
CCOC(=O)C1=C(C)NC(SC)NC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][Ring1][S][C][N][C][Ring1][=Branch2][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CNc1c(Br)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1 | [C][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][N][C][C][C][N][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] |
COc1cc(OC)cc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][N][C][=N][N][=C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][O][Ring1][S][=C][Ring2][Ring1][Branch2] |
CCOC(=O)c1cnc2ccc(C)cc2c1OCc1cc(F)cc(F)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
COc1ccccc1Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc(C(C)(C)C)[nH]2)c1O | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch2][Ring1][#Branch1][N][C][=N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][Ring1][O][=C][Ring2][Ring1][Ring1][O] |
CC(C)(C)NC(=O)C(N)Cc1ccc(OP2(=O)COC(Cn3ccc(N)nc3=O)CO2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch2][Ring1][N][O][P][=Branch1][C][=O][C][O][C][Branch1][=C][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][O][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CC=C(C)C(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)COC(=O)C(C)CC | [C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][=C][Branch1][Ring1][C][O][C][C][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][Ring1][Branch2][Ring1][S][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch1][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C] |
CCCCCCCCCCN1C(=O)NC(c2ccccc2)C(C(=O)OCC)=C1C | [C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C][C] |
COc1ccc(N2NC(=O)C(=Cc3cccc(OC)c3)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][N][C][=Branch1][C][=O][C][=Branch1][=C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] |
Cc1cn(-c2cc(C)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)cn1 | [C][C][=C][N][Branch2][Ring1][S][C][=C][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][C][=C][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][Ring2][Ring1][=Branch1] |
CC(Cn1cccn1)NC(=O)Nc1ccc(N(C)C)nc1 | [C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2] |
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N] |
Cc1c(Cl)c(C(=O)N2CCC(N3CCOCC3)C(CCCO)C2)nn1C | [C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Branch1][C][C][C][O][C][Ring1][S][=N][N][Ring2][Ring1][Branch2][C] |
CCN1C(=O)C2(CC(N)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][C][Branch1][C][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][P] |
CCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C] |
CNC(=O)c1cccc(NC(=O)Cc2cccc(F)c2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][P] |
Cc1ccc2c(c1)N(C)C(=CC=Cc1oc3ccc(C)cc3[n+]1C)O2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch2][Ring1][Branch1][=C][C][=C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N+1][=Ring1][#Branch2][C][O][Ring2][Ring1][Branch1] |
COc1ccc(N2CCN(c3[nH]cnc4ncnc3-4)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][NH1][C][=N][C][=N][C][=N][C][=Ring1][=Branch2][Ring1][Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CC(C)(O)C(F)CN=C(O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(N=C(O)C2CC2)CC1 | [C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][F][C][N][=C][Branch1][C][O][C][=C][N][=C][Branch2][Ring1][C][N][N][=C][C][=C][C][Branch1][Ring1][C][#N][=C][N][=C][Ring1][Branch2][Ring1][O][C][=C][Ring1][P][N][C][C][C][C][Branch1][O][N][=C][Branch1][C][O][C][C][C][Ring1][Ring1][C][C][Ring1][N] |
CSCCC(NC(=O)c1ccc(NCc2cncn2Cc2cccc(Cl)c2)cc1-c1ccccc1)C(=O)O | [C][S][C][C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][=C][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
N#Cc1ccc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)nc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][Ring1][=Branch2][C][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1] |
O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | [O][=C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring2][Ring1][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][#Branch2] |
Cc1ccc(CN2CCNC(=O)C2CC(=O)NCC(F)(F)F)o1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][=Branch1] |
C[S+]([O-])c1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] | [C][S+1][Branch1][C][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1] |
CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cc(C)ccc1C | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch2][C][C][C][C][Ring1][#Branch1][N][Branch1][C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] |
CC(=O)N=c1c(C#N)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 | [C][C][=Branch1][C][=O][N][=C][C][Branch1][Ring1][C][#N][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nnc(Nc2ccc(F)cc2)c2ccccc12 | [C][C][=N][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] |
C=C(C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl | [C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CCc1cccc(C(C)C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1O | [C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O] |
OC1CCCN(c2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCC3)C1 | [O][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=Branch2][Ring1][Branch2][=N][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][Ring1][S][Ring1][N][C][C][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2] |
Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12 | [C][C][=C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][Ring2] |
NNC(=O)CC(=O)Nc1ccccc1[N+](=O)[O-] | [N][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
COc1cc(-c2ccc3c(c2)OCO3)cc(C=O)c1O | [C][O][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][Branch1][Ring1][C][=O][=C][Ring1][P][O] |
CN(C)c1ncc(CNC2CC(=O)N(CCc3cccc(Cl)c3)C2)s1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][N][C][N][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][#C][S][Ring2][Ring1][=Branch1] |
CC(C)CC(NO)c1c[nH]c2ccc(F)cc12 | [C][C][Branch1][C][C][C][C][Branch1][Ring1][N][O][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
CC(=O)SCC(C)C(=O)N(CC(=O)O)CC1CCCO1 | [C][C][=Branch1][C][=O][S][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1] |
COc1ccc2nc(C3(NC(=O)CC(N)Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring2][=N][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][Branch1][C][N][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring2][Ring1][Branch2][S][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CC1CCCCC1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] |
CC(C)(CO)COCP(=O)(O)OCCn1cnc2c(N)ncnc21 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] |
Cc1ccc2c(c1)C(=Cc1ccccc1C)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#C] |
Cc1cc(C)cc(S(=O)(=O)c2n[nH]c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc23)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][#C] |
Cc1cc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 | [C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CNS(=O)(=O)c1cccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)c1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CC(C)C1NC(=O)CC2NC(=O)C(Cc3cccc4ccccc34)NC(=O)C(Cc3cccc4ccccc34)NC(=O)C(CSSCCNC2=O)NC1=O | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][N][C][S][S][C][C][N][C][Ring2][Ring2][#Branch2][=O][N][C][Ring2][Branch1][C][=O] |
Cc1ccc(CNC(=O)CN2C(=O)CSc3c2c(C)nn3-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CC(=O)c1cc2cc(C(F)(F)F)ccc2s1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][S][Ring1][=N] |
O=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O | [O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] |
Cc1ccsc1C=Nn1cc(-c2ccccc2)nc1N | [C][C][C][=C][S][C][=Ring1][Branch1][C][=N][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N] |
Cc1ccc(NC(=O)CCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#C] |
CCCS(=O)(=O)N1CCN(c2cc3c(cc2OC)C(C2(c4ccc(Cl)cc4)CCC2)N(S(=O)(=O)CCC)CC3)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][Ring2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][N][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring2][Ring1][O][C][C][Ring2][Ring2][Ring1] |
CC1(C)C2CCC1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring2][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][Ring1][S][C][Branch1][C][O][C][Ring2][Ring1][O] |
Cn1c(=O)c2nc(CN(Cc3ccccc3)Cc3ccccc3)[nH]c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring2][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][O][=O] |
CCCCCCCCCCC(O)(CC(=O)O)CC(=O)O | [C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O] |
O=P(O)(O)C(F)(F)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][N][O][=C][Ring2][Ring1][Ring1] |
COC(=O)c1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
O=[N+]([O-])c1cn2c(n1)OCC(OCc1cnc(-c3ccc(OC(F)F)cc3)cn1)C2 | [O][=N+1][Branch1][C][O-1][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][O][C][C][Branch2][Ring1][=N][O][C][C][=C][N][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][Ring1][S][C][Ring2][Ring1][=Branch2] |
O=C(C1CCCCC1)N1CCCN(c2ncc3ccccc3n2)CC1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][N][Branch1][#C][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring1][P] |
Cc1nc(S(=O)(=O)NCCOc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1C | [C][C][=N][C][Branch2][Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][N][C][C][Ring2][Ring1][C][=C][N][Ring2][Ring1][P][C] |
O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCC(Oc2cccnc2)CC1 | [O][=C][Branch2][Ring1][#C][C][C][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][N][=Ring1][P][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CC12CCC3C(CC=C4CC(OC(=O)Cn5cc(COc6ccc(C(=O)C=Cc7ccc(Cl)c(Cl)c7)cc6)nn5)CCC43C)C1CCC2=O | [C][C][C][C][C][C][Branch2][=Branch1][=Branch1][C][C][=C][C][C][Branch2][Branch1][Ring2][O][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring2][Ring1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=Branch2][C][C][C][Ring2][Ring2][Ring1][Ring2][Ring2][#Branch1][C][C][Ring2][Ring2][N][C][C][C][Ring2][Ring2][#C][=O] |
CCCCCCCCCCCCC(=CCCCC(=O)O)[N+](=O)[O-] | [C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][#Branch2][=C][C][C][C][C][=Branch1][C][=O][O][N+1][=Branch1][C][=O][O-1] |
COc1ccc(N(C(=O)c2cccc(OC)c2OC)C2C=CS(=O)(=O)C2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N] |
CCCN1CCC(N2C(=O)C(=O)c3ccccc32)CC1 | [C][C][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring1][P] |
Cc1cn2cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2s1 | [C][C][=C][N][C][=C][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=N][C][=N][C][=C][Ring1][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][=N][S][Ring2][Ring1][S] |
CCN(Cc1cc2ccc(C)cc2nc1O)C(=O)c1ccncc1 | [C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] |
COc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)Nc2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] |
O=C1NC2CCCCC2C12CCCCC2 | [O][=C][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][C][C][C][Ring1][=Branch1] |
COC(=O)c1cnn(-c2ccccc2)c1C=NNC(=S)Nc1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=N][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccc2cc3cc(C(=O)N(CC(=O)NC4CCCC4)c4cccc(C)c4C)sc3nc2c1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][S][C][Ring2][Ring1][=Branch2][=N][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CCOc1ncccc1C(=O)OCC(=O)NC(=O)NC(C)C | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C] |
CCC(CC)(CC)c1cc(N=C2OCC3(CCCCC3)CN2C(=S)SC)on1 | [C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][=C][Branch2][Ring1][=Branch2][N][=C][O][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][N][Ring1][O][C][=Branch1][C][=S][S][C][O][N][=Ring2][Ring1][Branch1] |
O=C1OCC2OC(Oc3cc(O)c(C(=O)CCc4ccccc4)c(O)c3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O | [O][=C][O][C][C][O][C][Branch2][Ring1][P][O][C][=C][C][Branch1][C][O][=C][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring2][N][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O] |
COc1ccc(C)cc1NC(=O)C(Sc1nnc2ccccn12)c1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
O=C(NCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1CO | [O][=C][Branch2][Ring1][=N][N][C][C][C][C][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][C][O] |
CCC(C)C(NC(=O)OC1C(=O)c2cc(OC)ccc2OC1c1ccc(OC)c(Br)c1)C(=O)OC | [C][C][C][Branch1][C][C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C] |
CN(C)CCOc1ccc(-c2nc(-c3ccc4c(O)c(F)ccc4c3)c(-c3ccncc3)[nH]2)cc1 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][F][C][=C][C][Ring1][Branch2][=C][Ring1][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CC1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)Cc1ccsc1 | [C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][N][Ring1][P][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1] |
O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNC1)c1ccc2cnccc2c1 | [O][=C][Branch2][Ring1][#Branch2][N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][N][C][Ring1][Branch1][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CC(C)(C)OC(=O)n1cc(CNC(=S)Nc2ccc(Br)cc2)c2ccccc21 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
CN1CCN(S(=O)(=O)c2ccc(Nc3cccc(Cl)c3)c([N+](=O)[O-])c2)CC1 | [C][N][C][C][N][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P][C][C][Ring2][Ring1][#Branch2] |
COC(=O)CN1CC2(CCNCC2)COc2ccccc2S1(=O)=O | [C][O][C][=Branch1][C][=O][C][N][C][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P][=Branch1][C][=O][=O] |
Clc1ccc(-c2nc(CN3CCC(N4CCCCC4)CC3)co2)c(Cl)c1 | [Cl][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][O][Ring2][Ring1][C][C][Branch1][C][Cl][=C][Ring2][Ring1][=Branch2] |
CCc1cnc(NCc2ccccc2Cn2cccn2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1][N][=C][Ring2][Ring1][Ring2] |
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccccc1F)C2=O | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][=O] |
OCC1OC(c2cc(Cc3ccc4c(c3)OCCO4)c(Cl)c3c2CCO3)C(O)C(O)C1O | [O][C][C][O][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][C][C][O][Ring1][Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][=N][O] |
COc1ccc2c(=O)c3c(sc2c1)c1cc(OC)ccc1n3CCN(C)C | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][S][C][Ring1][#Branch1][=C][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][Ring1][=C][C][C][N][Branch1][C][C][C] |
CCc1nnc2c(Nc3ccccc3)nc3ccc(Cl)cc3n12 | [C][C][C][=N][N][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] |
COc1cc(C(=N)N)ccc1-c1cc(-c2cccc(C(=N)N)c2)on1 | [C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][=C][Ring1][=Branch2][C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2][O][N][=Ring1][=C] |
COc1cc(O)c(C(=O)c2ccccc2Br)c(OC)c1 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] |
CC(C)C(NC(=O)COc1cccc2ccccc12)C(=O)NC(CC(=O)O)C(=O)COc1cc(F)cc(F)c1F | [C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][F] |
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)NC(CO)c2ccccc2)c1 | [C][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][NH1][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] |
c1ccc2c(c1)CCN2C1=NCCN1 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=N][C][C][N][Ring1][Branch1] |
CC(=O)C1(O)C(OCCO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C | [C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][Branch1][O][C][C][O][C][C][C][C][C][=C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Branch2][C] |
CCCS(=O)(=O)c1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccccc1O | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#C][C][C][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][Ring1][P][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CC(C)(C)C(=O)N1CCC2NC(=O)N(c3ccc(F)cc3)C(=O)C21 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][#C][Ring2][Ring1][C] |
COc1cc(C=CC(=O)C(=Cc2ccccc2O)C(=O)C=Cc2ccc(O)c(OC)c2)ccc1O | [C][O][C][=C][C][Branch2][Ring2][=Branch2][C][=C][C][=Branch1][C][=O][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][S][O] |
CC(OC(=O)c1ccc(Cl)nc1)C(=O)NC(C)(C)C | [C][C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] |
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