smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
CCOC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1ccc(C(=O)OCC)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(OC)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)c1ccc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)cc1 | 0 |
CCOC(=O)NC(Nc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1ccc(C(=O)O)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)C(F)(F)F | 0 |
CCC(=O)NC(NNS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(NC(C)CC)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1ccc(OC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1cc(Cl)ccc1OC)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(C(C(=O)OCC)C(=O)OCC)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(NCC(O)c1ccccc1)(C(F)(F)F)C(F)(F)F | 0 |
CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F | 1 |
CCOC(=O)NC(Nc1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F | 0 |
COC(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F | 0 |
CCC(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F | 0 |
CCC(=O)NC(Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)Cc1cnc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)s1 | 0 |
CCC(=O)NC(OCC1(CC)COC1)(C(F)(F)F)C(F)(F)F | 0 |
CCCCOC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F | 0 |
Cc1cc(NS(=O)(=O)c2ccc(NC(NC(=O)OC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nc(C)n1 | 0 |
COC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F | 0 |
COC(=O)NC(Nc1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(NC(=O)CC)(C(F)(F)F)C(F)(F)F | 0 |
CC(C)CCOC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(OCCN(C)C)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)NC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F | 0 |
CCC(=O)NC(Nc1cccc(F)c1C)(C(F)(F)F)C(F)(F)F | 0 |
CCCCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F | 0 |
O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)OCc1ccccc1 | 0 |
O=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)OCc1ccccc1 | 0 |
CCOC(=O)NC(Nc1ncn(C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F | 0 |
CCCC(Cl)=NOC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F | 0 |
CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCCCC2)O1 | 0 |
CC1CN=C(Nc2ccccc2)S1 | 0 |
CC1CN=C(NCc2ccccc2)S1 | 0 |
CC1CN=C(Nc2cccc(C(F)(F)F)c2)S1 | 0 |
COc1ccccc1NC1=NCC(C)S1 | 0 |
CC1CN=C(Nc2ccc(F)c(Cl)c2)S1 | 0 |
CCC(C)NC1=NCC(C)S1 | 0 |
CC(C)CNC1=NCC(C)S1 | 0 |
CC1CN=C(Nc2ccc(F)cc2F)S1 | 0 |
CC1CN=C(Nc2ccc(S(N)(=O)=O)cc2)S1 | 0 |
C=C1CN=C(Nc2ccc(F)cc2F)S1 | 0 |
C=C1CN=C(Nc2ccc(Cl)cc2)S1 | 0 |
CC1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1 | 0 |
CC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(Cl)c(Cl)c2)S1 | 0 |
CNC(=O)N(C1=NCC(C)S1)c1ccc(C)c(C)c1 | 0 |
CC1CN=C(N(C)C(=O)Nc2ccc(Cl)cc2)S1 | 0 |
O=C(Nc1ccccc1)N(C1=NCC(CI)S1)c1ccc(F)c(F)c1 | 0 |
Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)cc1C | 0 |
CC1CN=C(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 | 0 |
CC1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)S1 | 0 |
Cc1cccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCC(C)S2)c1 | 0 |
CC1CN=C(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 | 0 |
CC1CN=C(N(C(=O)Nc2ccccc2)C2CCCCC2)S1 | 0 |
CC1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2cccc(Cl)c2)S1 | 0 |
CC1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2)S1 | 0 |
CC1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2)S1 | 0 |
Cc1ccc(N(C(=O)Nc2ccc(F)c(Cl)c2)C2=NCC(C)S2)cc1 | 0 |
CC(Cl)=NOC(=O)Nc1ccc(C)cc1 | 0 |
CCC(Cl)=NOC(=O)Nc1ccc(F)c(Cl)c1 | 0 |
CCCC(Cl)=NOC(=O)Nc1ccc(Br)cc1 | 0 |
CCOC(=O)c1ccc(NC(=O)ON=C(Cl)C(C)C)cc1 | 0 |
CC(Cl)=NOC(=O)Nc1ccc([N+](=O)[O-])cc1 | 0 |
CCOC(=O)c1ccc(NC(=O)ON=C(Cl)CC)cc1 | 0 |
CC(C)C(Cl)=NOC(=O)Nc1ccc(F)cc1 | 0 |
COc1ccccc1NC(=O)ON=C(Cl)C(C)C | 0 |
O=C(Nc1cccc(C(F)(F)F)c1)ON=C(Cl)CCl | 0 |
CCOC(=O)c1ccc(NC(=O)ON=C(Cl)CCl)cc1 | 0 |
CCCC(Cl)=NOC(=O)Nc1cccc(C(F)(F)F)c1 | 0 |
CC(C)C(Cl)=NOC(=O)Nc1cccc(Cl)c1 | 0 |
CC(C)C(Cl)=NOC(=O)Nc1ccc(S(N)(=O)=O)cc1 | 0 |
CC(C)C(Cl)=NOC(=O)Nc1cccc(F)c1 | 0 |
CC(C)C(Cl)=NOC(=O)Nc1ccccc1F | 0 |
CC(Cl)=NOC(=O)Nc1ccccc1C(F)(F)F | 0 |
CC(C)C(Cl)=NOC(=O)Nc1ccc(F)cc1F | 0 |
CC(C)C(Cl)=NOC(=O)Nc1ccc(OC(F)(F)F)cc1 | 0 |
CCC(Cl)=NOC(=O)Nc1ccc(C#N)cc1 | 0 |
CC(C)C(Cl)=NOC(=O)Nc1ccc(C#N)cc1 | 0 |
CCCC(Cl)=NOC(=O)Nc1cc(C(F)(F)F)ccc1OC | 0 |
CCCCOP(=O)(OCCCC)C(NS(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F | 0 |
CCOC(=O)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C | 0 |
CCOC(=O)C(NC(=O)CC)(C(F)(F)F)P(=O)(OCC)OCC | 0 |
CCCCCOP(=O)(OCCCCC)C(NC(C)=O)(C(=O)OCC)C(F)(F)F | 0 |
CCCOP(=O)(OCCC)OC(C(F)(F)F)C(F)(F)F | 0 |
CCOP(C)(=O)OC(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)C(OP(=O)(OCC)OCC)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)NCc1ccc(F)cc1)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F | 0 |
O=C(Nc1ccc(C(F)(F)F)cc1)NC(F)(F)F | 0 |
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(F)(F)F)cc2)n1 | 0 |
Cc1ccccc1NC(=O)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F | 0 |
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