SMILE
stringlengths 1
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stringlengths 3
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|---|---|
CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2CC2C)c(C)c1 | [C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][C][N][C][C][Ring1][Ring1][C][C][Branch1][C][C][=C][Ring1][S] |
CC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCCNc1ccccn1)B1OC2CC3CC(C3(C)C)C2(C)O1 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][B][O][C][C][C][C][C][Branch1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C][Ring1][=Branch2][Branch1][C][C][O][Ring1][=N] |
FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 | [F][C][C][O][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CC(C(=O)N1CCc2ccccc21)n1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] |
O=C(NCc1ccccc1)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][Ring1][N] |
CC(C)(C)C(CCO)NC(=O)Nc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][Ring2][C][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(CN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCc1ccco1 | [O][=C][Branch2][Ring2][#Branch2][C][N][C][=Branch1][C][=O][C][=Branch2][Ring1][Ring2][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] |
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3cccc(OC(F)(F)F)c3)C2)n1C | [C][C][N][=C][O][C][=Ring1][Branch1][C][=N][N][=C][Branch2][Ring2][Branch1][S][C][C][C][N][C][C][C][C][Ring1][Ring1][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][Ring1][P][N][Ring2][Ring1][#Branch2][C] |
CC(C)(C)[Si](CCc1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][Si][Branch2][Ring2][#Branch1][C][C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCC1 | [N][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] |
CS(=O)(=O)OCCN(CCCl)c1ccc(C(=O)NC(CCCC(=O)O)C(=O)O)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][Branch1][Ring2][C][C][Cl][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1] |
CCC(NCCC(=N)O)c1ccc(Cl)c(C(=O)c2cnc(N)cn2)c1F | [C][C][C][Branch1][=Branch2][N][C][C][C][=Branch1][C][=N][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][=N][Ring1][#Branch1][=C][Ring1][S][F] |
CCOC(=O)C1C2COc3ccc(Cl)cc3C2N2C(=O)c3cc(Br)ccc3NC(=O)C12C | [C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch2][Ring1][=C][C] |
COc1ccc(-n2nnc3c(SCC(=O)N4CCCc5ccccc54)ncnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][N][=N][C][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=C][N][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SC3CCC(C(=O)O)CC3O)n2C2CCCCC2)ccn1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Branch2][Ring1][C][S][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][O][N][Ring2][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][Ring2][Ring2][Ring1] |
CCCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)O)cc1 | [C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2] |
Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][N] |
COc1ccc(C)cc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] |
O=C(COC(=O)c1cc2c(s1)CCCC2)NCc1ccccc1Cl | [O][=C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
COc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)CC2(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][=C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2] |
COCCn1c(C)cc(C=C(C#N)C(=O)OC(C)C(=O)Nc2ccc(NC(C)=O)cc2)c1C | [C][O][C][C][N][C][Branch1][C][C][=C][C][Branch2][Ring2][Branch1][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][N][C] |
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][S][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
Nc1nc2c(s1)Cc1cccc(OCP(=O)(O)O)c1-2 | [N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][N][Ring1][S] |
CC1(C)OC2(CCCCC2)c2nnc(-c3ccccc3)[n+]([O-])c21 | [C][C][Branch1][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][=N][Ring2][Ring1][=Branch1] |
COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cccc(Br)c23)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][S][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C] |
CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)c1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch2][Ring1][=N][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][P][Ring1][=Branch2][=C][Ring2][Ring1][#Branch2] |
O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCC1CCCO1 | [O][=C][Branch2][Ring1][S][C][C][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#C][N][C][C][C][C][C][O][Ring1][Branch1] |
COc1cc(C(=O)NC(CCC(=O)O)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O][O][C] |
Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][N][Branch1][C][C][N][=Ring2][Ring1][Branch1] |
[O-][n+]1nc(CCCN2CCCCC2)[n+]([O-])c2ccccc21 | [O-1][N+1][=N][C][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
COc1ccc(C2CC(=O)c3cc(Br)cc(Br)c3N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NCCS(C)(=O)=O)n1 | [C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][Branch1][N][N][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring1][=C] |
NC1Cc2cccc3[nH]c(=O)n(c23)C1 | [N][C][C][C][=C][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2cccc(O)c12 | [N][C][C][C][N][C][C][C][C][N][C][C][C][N][C][C][C][N][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch2][Ring1][#Branch1] |
CC(=O)c1ccccc1-c1ccc2c(c1)CC(CNC(=O)c1cc(C)on1)O2 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][O][Ring1][S] |
CCN(Cc1ccc(Br)cc1)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 | [C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
Cc1nc2ccccn2c1C(=O)NCc1ccco1 | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] |
COc1ccc2cc(C3C4=C(CC(C)(C)CC4=O)Oc4nc5c(c(N)c43)CCC5)c(Cl)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][O][C][=N][C][=C][Branch1][O][C][Branch1][C][N][=C][Ring1][#Branch1][Ring2][Ring1][C][C][C][C][Ring1][Branch2][C][Branch1][C][Cl][=N][C][Ring2][Ring1][N][=C][Ring2][Ring1][S] |
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(CN4CCOCC4)cc3)n2)cc1 | [N][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CS(=O)(=O)c1ccc2c(c1)CCC1(CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC1)O2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][P][O][Ring2][Ring1][#Branch1] |
Cn1ccc(-c2cc(C#N)ccc2C2N=C(O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC3)cc1=O | [C][N][C][=C][C][Branch2][Branch1][Branch1][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C][N][=C][Branch1][C][O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=Branch1][C][=O][C][C][Ring1][=Branch1][=C][C][Ring2][Ring2][Ring1][=O] |
Cc1ccc(C(=O)NC(C)C2CCCO2)o1 | [C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][O][Ring1][Branch1][O][Ring1][#C] |
COP(=O)(OC)OC(C(C)(C)c1ccccc1)P(=O)(OC)OC | [C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C] |
CCCCCCN(CCCCCC)CC(O)c1cccc2c1cc(Br)c1ccccc12 | [C][C][C][C][C][C][N][Branch1][#Branch1][C][C][C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
[N-]=[N+]=NC1CC(n2cnc3c(Cl)nc(Cl)nc32)OC1CO | [N-1][=N+1][=N][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Branch1][C][Cl][N][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][Ring1][O][O][C][Ring1][S][C][O] |
Cc1ccc(CNC(=O)Cn2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=Branch1][C][=O][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][S] |
Cn1cnc2c(NCCN)nc3cc4ccccc4cc3c21 | [C][N][C][=N][C][=C][Branch1][Branch1][N][C][C][N][N][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] |
O=C(c1ccc[nH]1)c1nc2ccccc2[nH]1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
COc1ccc2c(CNCC(C)c3ccccc3)c(C(=O)O)n(Cc3ccc(F)cc3Cl)c2c1 | [C][O][C][=C][C][=C][C][Branch1][S][C][N][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][N][=C][Ring2][Ring1][S] |
Nc1nccc(Oc2ccc(NC(=O)C3CCCN(c4ccc(F)cc4)C3=O)cc2F)c1Cl | [N][C][=N][C][=C][C][Branch2][Ring2][#Branch2][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1][F][=C][Ring2][Ring1][#C][Cl] |
CN1CCN(CCn2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)c3cc(C(C)(C)C)ccc32)CC1 | [C][N][C][C][N][Branch2][Branch1][=Branch2][C][C][N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][N][C][C][Ring2][Ring2][Ring2] |
COc1c(C(=N)N)cccc1-c1cc(-c2ccc(C(=N)N)cc2)on1 | [C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][C][=C][Ring1][=Branch2][C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][O][N][=Ring1][=C] |
CSc1nnc(CNC(=O)C=Cc2ccccc2Cl)n1-c1ccc(F)cc1 | [C][S][C][=N][N][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CC1OCCN(c2nc(-c3ccncc3F)cc(=O)n2C)C1C | [C][C][O][C][C][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=C][C][=Branch1][C][=O][N][Ring1][=C][C][C][Ring2][Ring1][Branch1][C] |
O=C(c1ccncc1)c1ccc(OCCN2CCCC2)cc1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C] |
CCc1cc(NCCO)c2c(O)c3c(c(O)c2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O | [C][C][C][=C][C][Branch1][Branch1][N][C][C][O][=C][C][Branch1][C][O][=C][C][=Branch1][P][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][S][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][=O] |
Cc1cc(C)nc(N2CCC3(CCCN(Cc4cn(C)c5ccccc45)C3=O)CC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring2][=Branch2][N][C][C][C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][P][=O][C][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][=C] |
NC(N)=NCCCC(NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 | [N][C][Branch1][C][N][=N][C][C][C][C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
Nc1nc2c(nc(Cl)n2C2OC(CO)C(O)C2O)c(=O)[nH]1 | [N][C][=N][C][=C][Branch2][Ring1][Branch2][N][=C][Branch1][C][Cl][N][Ring1][=Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2] |
CCC(C)c1ccc(C(=O)Cn2ccnc2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C] |
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][=C][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccsc3c2=O)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][NH1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Ring1] |
COc1ccc(CC(=O)Nc2c(C(=O)Nc3ccccc3F)oc3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
COc1cc(C)cc(C)c1-c1nc(C)c(NCC(C)(C)C)c(OC)n1 | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=N][C][Branch1][C][C][=C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=N][Ring1][#C] |
Cc1cn(C2CC(O)C(CCC(=O)NCc3cccc4ccccc34)O2)c(=O)[nH]c1=O | [C][C][=C][N][Branch2][Ring2][Branch1][C][C][C][Branch1][C][O][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][=N][=O] |
COC(=O)C(O)C1C2(C)CC3(O)C(C(=O)C2O)C24OC25CC(=O)OC(c2ccoc2)C5(C)CCC4C13C | [C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][C][C][C][C][Branch1][C][O][C][Branch1][=Branch2][C][=Branch1][C][=O][C][Ring1][=Branch2][O][C][O][C][Ring1][Ring1][C][C][=Branch1][C][=O][O][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][N][Branch1][C][C][C][C][C][Ring2][Ring1][C][C][Ring2][Ring1][=C][Ring2][Ring1][#Branch2][C] |
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cc(OC)c(OC)c(OC)c1 | [C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
Cc1ccc(Cn2c(C)c3cnn(CC(=O)N4CCN(c5cc(C)ccc5C)CC4)c(=O)c3c2C)cc1 | [C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][N][C][Branch1][C][C][=C][C][=N][N][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N][C][C][=C][Ring2][Ring2][Ring2] |
O=C(O)c1cccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][S][Ring1][=N][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] |
CCc1nnc(CN2CCCC(c3cc(C(F)(F)F)[nH]n3)C2)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][=C][C][N][C][C][C][C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][N][=Ring1][=Branch2][C][Ring1][#C][O][Ring2][Ring1][Branch1] |
CCc1n[nH]c(C2CN(CCc3cccs3)CCO2)n1 | [C][C][C][=N][NH1][C][Branch2][Ring1][Ring2][C][C][N][Branch1][#Branch2][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][O][Ring1][=N][=N][Ring2][Ring1][C] |
COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCCC(C)C2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][P][N][C][=Branch1][C][=S][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] |
Cc1nnc(SCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 | [C][C][=N][N][=C][Branch2][Ring2][C][S][C][C][N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][S][Ring2][Ring1][#Branch2] |
O=C(O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] |
Cc1c(NC(=S)NN=CC=Cc2ccccc2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=S][N][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][C] |
CN1C(=O)C(NC(=O)Nc2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][S] |
CC(C)(C)n1ncc2c(=O)n(Cc3cccc(OC(F)(F)F)c3)cnc21 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=N][C][=Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] |
CN(Cc1cn(CC(O)COC(=O)C2CCCCC2)nn1)CC1CCCCC1 | [C][N][Branch2][Ring1][S][C][C][=C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring2][Ring1][C][C][C][C][C][C][C][C][Ring1][=Branch1] |
c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)C4CCCc5cccnc54)c32)nc1 | [C][=C][C][=C][Branch2][Branch1][#Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][Branch2][Ring1][=C][C][N][Branch1][N][C][C][C][N][C][C][N][C][C][Ring1][=Branch1][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][O][Ring2][Ring2][C][N][=C][Ring2][Ring2][=Branch2] |
COc1cccc(CNC(=O)C(CC(C)C)NC(=O)c2ccccc2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] |
CC1CCC2(OC3CC4C5CC=C6CC(OCOCCO)CCC6(C)C5CCC4(C)C3C2C)SC1 | [C][C][C][C][C][Branch2][Ring2][S][O][C][C][C][C][C][C][=C][C][C][Branch1][#Branch1][O][C][O][C][C][O][C][C][C][Ring1][N][Branch1][C][C][C][Ring1][P][C][C][C][Ring2][Ring1][Branch1][Branch1][C][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][N][C][S][C][Ring2][Ring2][C] |
O=C(O)C1Oc2cc3c(-c4ccccc4)noc3c(Cl)c2O1 | [O][=C][Branch1][C][O][C][O][C][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][Branch1][C][Cl][=C][Ring1][S][O][Ring2][Ring1][Ring1] |
COc1cc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring2][=C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][P] |
O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1 | [O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][N][Branch2][Ring1][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=N][Ring1][O][C][C][Ring1][S][C][Ring2][Ring1][Ring1] |
CC(C)N1CCC(C)(C)c2ccc(C#Cc3ccc(C(=O)O)cc3)cc21 | [C][C][Branch1][C][C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][#C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][P][Ring2][Ring1][#Branch1] |
COc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(C(=O)O)cc1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
CC(C)C(=O)SNC(=O)c1ccccc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Cl)s1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
COc1cc(C(=O)NCC(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][O][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CNC(C(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(C)OCc1ccccc1 | [C][N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring1][S][O][C][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COC1C(=O)Nc2ccccc2C1(O)c1ccccc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)CC(NC(=O)C=Cc1ccc(OP(=O)(O)O)cc1)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NCc1ccccc1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCn1nc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][P][C] |
Cc1ccc2c(=O)n3c(nc2c1)C(Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2cc1-3 | [C][C][=C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Branch2][=N][C][Ring1][#Branch1][=C][Ring1][O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][Ring2][Ring1][O] |
CCOC(=O)Cn1c2ccc(F)cc2c2nc(C)sc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][Ring1][=C] |
COc1cc2c(cc1OC)CN(c1ccc([S+](=O)([O-])Nc3c(C)nn(C)c3C)cn1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][S+1][=Branch1][C][=O][Branch1][C][O-1][N][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][N] |
O=C(OCC(CC1CCNCC1)n1c(-c2ccccc2)nc2ccccc21)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 | [O][=C][Branch2][Ring2][=Branch1][O][C][C][Branch1][#Branch2][C][C][C][C][N][C][C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2][C] |
CC(Sc1nnc(O)n1Cc1ccccc1)C(=O)NC1CCCCC1C | [C][C][Branch2][Ring1][Branch1][S][C][=N][N][=C][Branch1][C][O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C] |
CC(C)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21 | [C][C][Branch1][C][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][#C] |
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