SMILE
stringlengths 1
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stringlengths 3
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CN1CCN=C1c1cc2cc(O)ccc2o1 | [C][N][C][C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] |
Cc1ccccc1C(=O)NCC1(c2ccccc2)CCN(C)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][C][C][C][C][Ring1][=N] |
O=C(CSc1ccc(Cl)cc1)NCc1ccncc1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] |
COC(=O)C1CC2(O)C(O)C(O)C(O)CC2N1Cc1cccnc1 | [C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][C][Ring1][#Branch2][N][Ring1][=N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CCOC1=NS(=O)(=O)c2ccccc21 | [C][C][O][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CC(C)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)nn1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=N][Ring2][Ring1][Ring2] |
COC(=O)C(NC(=O)c1ccc(C)cc1)(Nc1cccc(C)n1)C(F)(F)F | [C][O][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CCc1cc(C#N)cc(-c2ccc3c(c2)C2(N=C(C)C(N)=N2)C2(CCC(OC)CC2)C3)c1 | [C][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch2][Ring2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][N][=C][Branch1][C][C][C][Branch1][C][N][=N][Ring1][#Branch1][C][Branch1][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=C] |
O=C1CN=C(c2ccc(Br)cc2)c2oc3ccccc3c2N1 | [O][=C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][Ring2][Ring1][Branch1] |
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccc(Cl)c2)N1 | [C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring2] |
CCc1ccc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccoc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2] |
CCc1nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2c1C | [C][C][C][N][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][=O][=C][N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][Branch2][C] |
Cc1ccccc1OCC(=O)OCc1cc(=O)n2ccsc2n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][#Branch2] |
COC(=O)n1cc(CC(NC(=O)CC2NC(=O)C3C4CCC(CC4)N3C2=O)C(=O)NC(Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 | [C][O][C][=Branch1][C][=O][N][C][=C][Branch2][=Branch1][=Branch1][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][Ring1][Branch2][C][Ring1][=N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Branch1][Ring1] |
Cc1cc(OCC=C(C#Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)ccc1OCC(=O)O | [C][C][=C][C][Branch2][Ring2][#Branch1][O][C][C][=C][Branch2][Ring1][Branch1][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][=N][O][C][C][=Branch1][C][=O][O] |
CC(Sc1nc(N)c2c3c(sc2n1)CSC(C)(C)C3)C(=O)Nc1ccccc1 | [C][C][Branch2][Ring1][S][S][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccc(OC)cc2)c1C | [C][N][C][=Branch1][C][=O][O][C][C][C][Branch1][=Branch2][C][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring2][Ring1][Ring2][C] |
CC(=O)NCC1CC(NS(=O)(=O)c2cccc3cncc(C)c23)CN1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][O][Ring1][#Branch1][C][N][Ring2][Ring1][Ring2] |
CC1(C)CCCC2(C)C(C=O)C(C=CC(=O)OCc3ccccc3)=CCC12 | [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][Branch1][Ring1][C][=O][C][Branch1][P][C][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch1] |
Fc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
O=C(CNS(=O)(=O)c1ccccc1)Nc1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COC(=O)C1CCC(C(=O)OC)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2] |
Cc1cc(CS(=O)(=O)N2CCN(c3cnn(-c4cc(F)cc(F)c4)c(=O)c3OCC3(C)CC3)CC2)ccc1N | [C][C][=C][C][Branch2][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=Branch1][C][C][=N][N][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][#C][O][C][C][Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][O][=C][C][=C][Ring2][Ring2][Branch1][N] |
CC(O)CCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | [C][C][Branch1][C][O][C][C][N][C][C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][O][Ring1][N][C][C][Ring2][Ring1][#Branch1] |
CC(C)(C)OC(=O)NCC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1] |
CC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)C(F)C1OC(C)=O | [C][C][=Branch1][C][=O][O][C][C][O][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][Branch1][C][F][C][Ring1][#C][O][C][Branch1][C][C][=O] |
Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCOCC4)cn3)C(C)C2)c1C | [C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=N][C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][C][=C][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][=C][C][Branch1][C][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring2][Branch1][C] |
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][=N][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C] |
COc1c(C)cc(Cl)cc1C1OC(=O)NC1=O | [C][O][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][O][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O] |
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)cc3)c(=O)n2C1c1ccc(SC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][S][C][=Branch2][Ring1][Ring1][=C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] |
NC(=O)c1ccc[n+](CCCCC(NC(=O)C2CCC(=O)N2)C(=O)N2CCCC2C(N)=O)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][N+1][Branch2][Ring2][#Branch1][C][C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][=C] |
Cc1cc(C(=O)NC(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c(C2CC2)o1 | [C][C][=C][C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring2][Ring2][Branch1] |
N=C(N)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)cc1 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2] |
CS(=O)(=O)C1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=N][Ring1][=Branch2][C][=C][C][Ring1][S][=N][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch2] |
Cc1cc(C)cc(NC(S)=Nc2ccc3c[nH]nc3c2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][Branch1][C][S][=N][C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][=C][Ring2][Ring1][Ring2] |
COc1ccc2nccc(C(O)CN3CCC(NC(=O)C(c4ccccc4C)N4CCC(Cc5ccccc5)CC4)CC3)c2c1 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Branch1][=Branch1][C][Branch1][C][O][C][N][C][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][=C][C][Ring2][Ring2][#Branch1][=C][Ring2][Ring2][O] |
CC(C)(O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 | [C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][O][C][Branch1][Ring2][O][Ring1][#Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Ring1][#Branch1] |
CC(C)c1csc(Cc2cccc3ccccc23)n1 | [C][C][Branch1][C][C][C][=C][S][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][S] |
Oc1cc(O)cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)c1 | [O][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring1][=C][C][=C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=N][Ring1][S][=C][Ring2][Ring1][#Branch1] |
CC(=O)c1ccc(-c2nc3ccccc3n2C)o1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][O][Ring1][#C] |
CCC(C)C(O)C(=O)OC1CC2C(C)(C3=CCC(c4ccoc4)C31C)C(OC(C)=O)CC1C(C)(C)OC(=O)CC(OC(C)=O)C12C | [C][C][C][Branch1][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][Branch2][Ring1][Ring2][C][=C][C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][#Branch2][Ring1][#C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][=C][Ring2][Ring2][C][C] |
Oc1ccc(CN2CCC(NCc3cccc(C(F)(F)F)c3)CC2)cc1 | [O][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
COC(=O)N1CC(c2ccc(OC)c(OC3CCCC3)c2)C(C)(C(C)=O)C1 | [C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][C][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring2][Ring1][#Branch1] |
CC(C)CC(C(=O)NC(C=O)Cc1ccccc1)C(=O)OCc1ccccc1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
OC1=NC(=Cc2cnn3c(=NCC(F)(F)F)nc(N4CCC(F)C4)[nH]c23)C(O)=N1 | [O][C][=N][C][=Branch2][Ring2][=Branch2][=C][C][C][=N][N][C][=Branch1][O][=N][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][Branch1][O][N][C][C][C][Branch1][C][F][C][Ring1][=Branch1][NH1][C][=Ring2][Ring1][Branch1][Ring2][Ring1][C][C][Branch1][C][O][=N][Ring2][Ring1][N] |
CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O | [C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring1][N][=O] |
O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc2ccccc12 | [O][=C][C][=C][Branch1][P][C][Branch1][C][O][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][O][O][C][=Branch1][C][=O][N][Ring1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)no1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C][=N][O][Ring2][Ring1][Branch2] |
O=C(Nc1ccc(SCC(=O)N2CCc3ccccc32)nn1)c1ccccc1F | [O][=C][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][=N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
OC1(c2ccccc2)CC2CCC(C1)N2CCc1ccccc1 | [O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=N][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nnc2c3ccccc3c(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nn12 | [C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P][=N][N][Ring2][Ring1][=C][Ring2][Ring1][O] |
NC(=O)CNc1nc(Nc2ccc(OP(=O)(O)O)cc2)nc(-c2cccc(Oc3ccc(OP(=O)(O)O)cc3)c2)n1 | [N][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][=N][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][=C][Ring2][Ring1][C][=N][Ring2][Ring2][Ring2] |
CC(C)N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(Cl)cc23)CC1 | [C][C][Branch1][C][C][N][C][C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Ring1][#Branch1][C][C][Ring2][Ring1][N] |
Cc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#C][C][C][=C][C][=C][Branch2][Ring2][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][Branch1][C][N][Branch1][Ring1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CCOC(=O)N(CC)c1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O | [C][C][O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][S][=O] |
Nc1nonc1C(=O)NN=Cc1ccc([N+](=O)[O-])o1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2] |
COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cncc(OC)c4)cc23)CC1 | [C][O][C][C][N][C][C][C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][Branch1][=N][C][=C][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][P][Ring1][=C][C][C][Ring2][Ring1][O] |
CCOC(=O)CNc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch2][Ring2][=Branch2][O][C][=C][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][=N][C][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=C] |
CN(C)CCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | [C][N][Branch1][C][C][C][C][N][C][C][C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2] |
CN(C(=O)Cc1ccc(Cl)c(Cl)c1[N+](=O)[O-])C(CN1CCCC1)c1ccccc1 | [C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCN(CC1CC1)C(S)=Nc1ccc(Oc2ccccc2)cc1 | [C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Branch1][C][S][=N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
O=c1[nH]c2ccc(Cl)cc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 | [O][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=C][N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
Nc1nc(N)c2nc(CN3CCN(Cc4cccc5ccccc45)CC3)nnc2n1 | [N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring1][O][C][N][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][P][N][=N][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=N] |
COC12C=CC(C)(O1)C(OC(=O)CCc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2COC1OCC(O)C(O)C1OC(C)=O | [C][O][C][C][=C][C][Branch1][C][C][Branch1][Ring2][O][Ring1][=Branch1][C][Branch2][Ring1][C][O][C][=Branch1][C][=O][C][C][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][C][C][Branch1][C][C][=C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][#C][C][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Branch1][C][C][=O] |
Cc1nnc(SC(C)C(=O)NC2CCCCC2C)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][S][Ring2][Ring1][C] |
CCN(C)C(=O)C1CCC(N=C(O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1c(F)cccc1OC | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][S][N][=C][Branch1][C][O][C][=C][C][=C][NH1][N][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][N][=C][Ring1][S][C][N][Ring2][Ring1][=Branch2][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C] |
Cc1cc(C)cc(C(=O)c2cc(Cl)ccc2Oc2nc(Nc3ccc(C#N)cc3)ncc2C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=C][Ring1][#C][C][=C][Ring2][Ring1][P] |
COc1ccc(C=Cc2ccc(N(C)C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P][O][C] |
O=C(C=Cc1ccccc1)OC1CCCCC1 | [O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][C][Ring1][=Branch1] |
CC(C#Cc1ccc(C)cc1)=CCON=C1CN2CCC1C2 | [C][C][Branch1][=C][C][#C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][O][N][=C][C][N][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] |
CCOC(=O)c1c(OC2CC(C)CC(C)C2)c(CC)c(C)[nH]c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][O][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][Ring1][C][C][=C][Branch1][C][C][NH1][C][Ring2][Ring1][C][=O] |
CC(C)c1cc(-c2nnc(O)n2-c2ccc(OCCN3CCOCC3)nc2)c(O)cc1O | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][S][C][=N][N][=C][Branch1][C][O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][#C][=C][Branch1][C][O][C][=C][Ring2][Ring1][N][O] |
CCn1c(=O)[nH]c2ccccc21 | [C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][S][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch2] |
CCC(C)(C)N=C(O)C1CCN(Cc2cccc(NC(=O)c3ccc(C(F)(F)F)c[n+]3[O-])c2)CC1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][=C][Branch1][C][O][C][C][C][N][Branch2][Ring2][=Branch1][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N+1][Ring1][#Branch2][O-1][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O] |
CC(N=C(O)CO)c1ccc(CN2Cc3ccc(OCC4CC4(F)F)cc3C(F)C2)cc1 | [C][C][Branch1][Branch2][N][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][C][C][=C][C][=C][Branch1][N][O][C][C][C][C][Ring1][Ring1][Branch1][C][F][F][C][=C][Ring1][=N][C][Branch1][C][F][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccccc1 | [O][=C][Branch2][Ring1][#C][C][S][C][=N][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12 | [N][#C][C][=C][NH1][C][=N][C][=C][C][Branch2][Ring1][Ring1][C][C][=C][N][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][C] |
O=C1CCC(CN2CCN(C(=O)Cn3cc(N=C(O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)O1 | [O][=C][C][C][C][Branch2][=Branch1][Ring2][C][N][C][C][N][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring1][Ring1][N][=C][Branch1][C][O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][Branch1][O][Ring2][Ring2][O] |
CSc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1 | [C][S][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=N][N][Ring2][Ring1][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
Nc1nn(-c2nc3ccc(F)cc3s2)c(N)c1N=Nc1ccc(F)cc1 | [N][C][=N][N][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][Branch1][C][N][=C][Ring1][S][N][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
COC(=O)c1cncn1C(C)c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
O=[N+]([O-])c1cc(CNc2ncnc3c2ncn3C2OC(CO)C(O)C2O)ccc1Cl | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][#C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][=C][C][=C][Ring2][Ring1][#Branch2][Cl] |
CC(C)Cc1cc(C(=O)NCC2(C#N)CCN(CCc3ccccc3)CC2)nn1-c1ccccc1 | [C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][#N][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=N][N][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cn1ncnc1COc1nn2c(-c3cc(CO)on3)nncc2c1C(C)(C)CO | [C][N][N][=C][N][=C][Ring1][Branch1][C][O][C][=N][N][C][Branch1][N][C][C][=C][Branch1][Ring1][C][O][O][N][=Ring1][#Branch1][=N][N][=C][C][Ring1][=N][=C][Ring1][S][C][Branch1][C][C][Branch1][C][C][C][O] |
O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12 | [O][=C][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=C][Ring1][#C][Ring1][O] |
CCC(=O)N(CCCN(C)C)c1nc(-c2cc(OC)ccc2OC)cs1 | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=N][C][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][S][Ring1][#C] |
CCC1C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][=N][Ring1][P] |
[C-]#[N+]C(=CC1CC1)C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 | [C-1][#N+1][C][=Branch1][#Branch1][=C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] |
C=C1C(=O)C23C(O)CC4C(C)(C)CCC(O)C4(C)C2CC(O)C1C3O | [C][=C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Ring1][=Branch2][Branch1][C][C][C][Ring1][#C][C][C][Branch1][C][O][C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][Ring2][O] |
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1ccccc1Cl | [O][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
COC(=O)C1CC2CCC(N2)C1c1cccc(O)c1 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][Ring2][N][Ring1][Branch1][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
NS(=O)(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
COc1ccc(C=CC(=O)c2ccc(OCOc3ccc(C(=O)C=Cc4ccc(OC)cc4OC)cc3)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2] |
CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
COc1cc(O)c(C(=O)CCc2ccccc2)c(OC)c1 | [C][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][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CCOc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][O][N][=C][Ring1][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] |
CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)C(NC(=O)C(N)C(C)C)C(C)C)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][N][=C][Branch2][Ring2][Branch1][C][O][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][Ring2][Ring2][Branch2][=C][Ring2][Ring2][=N][C] |
NC1=NC(c2cc(-c3nnc(-c4ccc(F)cc4)[nH]3)ccc2F)(C(F)F)C2CC2O1 | [N][C][=N][C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring1][N][=C][C][=C][Ring2][Ring1][C][F][Branch1][=Branch1][C][Branch1][C][F][F][C][C][C][Ring1][Ring1][O][Ring2][Ring1][=N] |
COc1ccc2nc(NC(=O)C3C(=O)NC(=O)NC3=O)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][=O][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
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