smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
CC1=NN(c2ccccc2)C(=O)CC1 | 0 |
Cc1nc2cc(N)c(F)cc2[nH]1 | 0 |
CCCCCC1CC2=C(C(=O)OC2=O)C(O)C(O)(CCCC)CC2=C1C(=O)OC2=O | 0 |
CC(C)c1cc2c(O)c(c1)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)C2 | 0 |
CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 | 0 |
CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 | 0 |
CC(C)c1cc2c(O)c(c1)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)C2 | 0 |
CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 | 0 |
CCc1cc2c(O)c(c1)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)C2 | 0 |
CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 | 0 |
Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1 | 0 |
CC(C)c1ccc(O)c(Cc2cc(C(C)C)cc(Cc3cc(C(C)C)ccc3O)c2O)c1 | 0 |
CC(C)(C)c1ccc(O)c(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)ccc3O)c2O)c1 | 0 |
Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(C)c3O)c2O)c1O | 0 |
CCN(CC)[N+]([O-])=NO.[NaH] | 0 |
CCON=[N+]([O-])N(CC)CC | 0 |
CCN(CC)[N+]([O-])=NOC | 0 |
CCCON=[N+]([O-])N(CC)CC | 0 |
CCN(CC)[N+]([O-])=NOCC(C)O | 0 |
COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1O)OCO4)N(C)CC2 | 0 |
NCCNC(=O)CCC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O | 0 |
CCN(CC)c1c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)nn(C)c1=O | 0 |
CCN(CC)c1c(C(=O)C=Cc2ccc(OC)cc2)c(-c2ccccc2)nn(C)c1=O | 0 |
CCN(CC)c1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O | 0 |
CCN(CC)c1c(C(=O)C=Cc2ccc(F)cc2)c(-c2ccccc2)nn(C)c1=O | 0 |
CC1CN1c1c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)nn(C)c1=O | 0 |
COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CC2C)cc1 | 0 |
CC1CN1c1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O | 0 |
CC1CN1c1c(C(=O)C=Cc2ccc(F)cc2)c(-c2ccccc2)nn(C)c1=O | 0 |
CC1CC2OC(=O)C3CCCC(=C23)C12CC(c1ccoc1)OC2=O | 0 |
CC=C1CN2CCc3c4n(c5ccccc35)C(CO)C1CC42 | 0 |
CC=C1CN2CCC34C=C(CO)C1CC23Nc1ccccc14 | 0 |
Cc1nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n2c1C=CC(C)C | 0 |
O=C1C=C2CC3=CC(=O)C=C(CC4=CC(=O)C=C(CC5=CC(=O)C=C(CC(=C1)C2=O)C5=O)C4=O)C3=O | 0 |
CCOC(=O)C(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1 | 0 |
CC1=C(C(=O)CC(=O)C(=O)Nc2cc(C)ccc2C)Sc2ccccc2N1 | 0 |
N#CC(C(=O)C(=NN)C(C#N)c1ccccc1)c1ccccc1 | 0 |
CC1=C(C(=O)CC(=O)C(=O)Nc2cccc(Cl)c2C)Sc2ccccc2N1 | 0 |
O=C1C2Nc3ccccc3SC2C(=O)N1c1ccccc1C(F)(F)F | 0 |
CCOC(=O)C(=O)Nc1c(C)cccc1CC | 0 |
NC(=O)C(=O)n1ncc(Cl)c(Cl)c1=O | 0 |
CC(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1 | 0 |
CC1=C(C(=O)Nc2ccccc2C)C(c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1C | 0 |
COc1ccc(C=C(C(C)=O)C(=O)Nc2ccccc2)cc1 | 0 |
COc1ccccc1NC(=O)C(=Cc1ccccc1)C(C)=O | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc([N+](=O)[O-])cc1 | 0 |
CC(=O)C(=CC1=CCCO1)C(=O)Nc1ccccc1C | 0 |
CC(=O)C(=Cc1ccccc1O)C(=O)Nc1ccccc1C | 0 |
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1 | 0 |
O=C1OC(CC(=O)c2ccccc2Cl)C(Cl)=C1Cl | 0 |
O=C1OC(CC(=O)c2ccc(F)cc2)C(Cl)=C1Cl | 0 |
O=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1 | 0 |
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2OC(=O)C(Cl)=C2Cl)cc1 | 0 |
CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N | 0 |
CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C | 0 |
Cc1c(C(=O)CC(=NNC(=O)C[n+]2ccccc2)C(=O)Nc2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-].[Cl-] | 0 |
CCc1cccc(C(C)CC)c1NC(=O)C(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC | 0 |
COC(=O)C(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)OC | 0 |
COc1ccc2c(c1)[n+]([O-])c(C(C)=NNC(=O)c1ccccc1O)c(C)[n+]2[O-] | 0 |
COc1ccc2c(c1)[n+]([O-])c(C(C)=NNC(N)=S)c(C)[n+]2[O-] | 0 |
Cc1ccc(NC(=O)C(CC(=O)c2c[n+]([O-])c3ccccc3[n+]2[O-])=NNC(=O)C[n+]2ccccc2)cc1.[Cl-] | 0 |
CCc1cccc(C)c1NC(=O)CCc1nc(=S)[nH][nH]1 | 0 |
COC(=O)C(CC=O)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 | 0 |
O=C(CCc1nnc2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl | 0 |
CCc1ccccc1NC(=O)C(CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-])=NNS(=O)(=O)c1ccc(C)cc1 | 0 |
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NOCCCc1ccccc1)C(=O)NC13CC4CC(CC(C4)C1)C3)c(C)[n+]2[O-] | 0 |
Cc1c(C(=O)CC(=NNC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-] | 0 |
CC(=O)Nc1ccc(C=c2sc3nnc(CCC(=O)Nc4ccccc4Cl)n3c2=O)cc1 | 0 |
O=C(CCc1nnc2sc(=Cc3ccccc3Cl)c(=O)n12)Nc1cc(Cl)ccc1Cl | 0 |
CCOc1ccc(NC(=O)C(CC(=O)c2c[n+]([O-])c3ccccc3[n+]2[O-])=NOCCCc2ccccc2)cc1 | 0 |
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(C)c1C)c(C)[n+]2[O-].[Cl-] | 0 |
Cc1ccc(S(=O)(=O)NN=C(CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccccc2C)cc1 | 0 |
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1cccc(C)c1C)c(C)[n+]2[O-] | 0 |
Cc1ccc(S(=O)(=O)NN=C(CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccc(C)c(C)c2)cc1 | 0 |
COC(=O)C(=O)C(CC(=O)Nc1c(C)cccc1C)C(=O)OC | 0 |
CCOc1ccccc1NC(=O)CCc1nc(=S)[nH][nH]1 | 0 |
CC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)C=CC1O | 0 |
CC1OC(n2cc(F)c(=O)[nH]c2=O)CCC1O | 0 |
S=c1[nH]c2cccc3c2n1CC1CCCN1C3 | 0 |
Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N | 1 |
Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N | 1 |
CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C23CCCCCCCCCCC12C(C(=O)OC(C)(C)C)C(=O)C3C(=O)OC(C)(C)C | 0 |
COC(=O)C1=C(OC)C(C(=O)OC)C23CCCC12C(C(=O)OC)C(OC)C3C(=O)OC | 0 |
CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C2(C)C(C(=O)OC(C)(C)C)C(=O)C(C(=O)OC(C)(C)C)C12C | 0 |
CCOC(=O)C1=C(C)C(C(=O)OC)C2(C)C(C(=O)OCC)=C(O)C(C(=O)OC)C12C.[NaH] | 0 |
COC(=O)C1C(=O)C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C12 | 0 |
C=C1C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C2(CCC)C1C(=O)OC | 0 |
CCCC12C(C(=O)OC)C(=O)C(C(=O)OC)C1(C)C(C(=O)OC)C(=O)C2C(=O)OC | 0 |
CC12C(C(=O)O)C(=O)C(C(=O)O)C1(C)C(C(=O)O)C(=O)C2C(=O)O | 0 |
O=C1CC23CCCC2(C1)CC(=O)C3 | 0 |
COC(=O)C1=C(OC)C(C(=O)OC)C2(C)C(C(=O)OC)=C(OC)C(C(=O)OC)C12C | 0 |
CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C23CCCCC12C(C(=O)OC(C)(C)C)C(=O)C3C(=O)OC(C)(C)C | 0 |
COC1=C(C(=O)OC(C)(C)C)C2C(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)C2C1C(=O)OC(C)(C)C | 0 |
COC(=O)C1C(=O)C(C(=O)OC)C23C(C)CCC12C(C(=O)OC)C(=O)C3C(=O)OC | 0 |
COC1=C(C(=O)OC(C)(C)C)C23CCCCCCCCCCC2(C(C(=O)OC(C)(C)C)=C(OC)C3C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C | 0 |
CC12CC(=O)CC1(C)CC(=O)C2 | 0 |
COC(=O)C1C(=O)C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C12C | 0 |
COC(=O)C1C(=O)CC2C(C(=O)OC)C(=O)CC12 | 0 |
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1 | 0 |
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.