smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
COC(=O)NN=CC(=CNc1ccccc1)[N+](=O)[O-] | 0 |
NC(=O)NN=CC(=CNc1ccccc1)[N+](=O)[O-] | 0 |
COc1cc(-c2cc(-c3cc([N+](=O)[O-])c(C=NNC(=O)c4ccncc4)o3)ccc2OC)ccc1C | 0 |
CC1(C)C(=NNC(=S)NN)C(C)(C)C1=NNC(=S)NN | 0 |
CN(C)CC(C(Cc1ccccc1)=NNC(=O)c1ccncc1)c1ccccc1 | 0 |
NNC(=S)NN=CC(=CNc1ccccc1)[N+](=O)[O-] | 0 |
Cc1ccc(S(=O)(=O)NN=Cc2oc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 | 0 |
O=[N+]([O-])c1c(C=NNc2ccccc2)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 | 0 |
NC(=S)NN=CC(=CNc1ccccc1)[N+](=O)[O-] | 0 |
COc1ccc(-c2oc(C=NNC(N)=S)c([N+](=O)[O-])c2-c2ccc(OC)c(OC)c2)cc1OC | 0 |
C=C(C[N+](C)(C)C)NN=Cc1oc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)c1[N+](=O)[O-].[Cl-] | 0 |
NC(=O)NN=CC(C=NNC(N)=O)[N+](=O)[O-] | 0 |
C[N+](C)(C)CC(=O)NN=Cc1oc(-c2c(O)ccc3ccccc23)c(-c2c(O)ccc3ccccc23)c1[N+](=O)[O-].[Cl-] | 0 |
O=C(NN=Cc1cc(-c2ccccc2Cl)c(-c2ccccc2Cl)o1)c1ccncc1 | 0 |
CC(=NNC(N)=S)C(CN1CCOCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl | 0 |
CC(=NNC(=N)N)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl | 0 |
CCCCN(CCCC)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O | 0 |
CC(=NN)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl | 0 |
CC(=O)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl | 0 |
NS(=O)(=O)c1ccccc1C(=O)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1 | 0 |
O=C(Cc1ccccc1)NN=C(C1=Nc2ccc([N+](=O)[O-])cc2NC1O)C(O)c1ccc([N+](=O)[O-])cc1 | 0 |
CC(=NNC(=N)N)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl | 0 |
CC(=NNS(=O)(=O)c1ccc(C)cc1)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl | 0 |
Cl.NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O | 0 |
CC(=NO)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl | 0 |
C=CCN(CC=C)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl | 0 |
O=C(Cc1ccccc1)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(C(O)C(=NNC(=O)Cc2ccccc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 | 0 |
N=S(=O)(c1ccccc1)c1ccccc1[N+](=O)[O-] | 1 |
O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O | 1 |
CCCCn1c(-c2ccccc2)csc1=NNC(=O)Cn1c(C)nc2ccccc21 | 0 |
O=C(O)c1ccc(-c2ccc(-c3cc(=S)sc(=O)[nH]3)cc2)cc1 | 0 |
CC1(c2ccc[n+](Cc3ccccc3)c2)OCCO1.[BrH2+] | 0 |
COc1cc(C(C)O)c[n+](Cc2ccccc2)c1.[ClH2+] | 0 |
Cc1ccc(S(=O)(=O)N(C=O)N=C2CCN(Cc3ccccc3)CC2)cc1 | 0 |
C1=CC2C=Cc3[nH]c4ccccc4c3CCN(C1)C2 | 0 |
C=C(Br)N(CC)CC | 0 |
COC(=O)C1CC(=O)CCC1c1ccccc1 | 0 |
O=C1CCC(c2ccccc2)C(O)(C(=O)O)C1 | 0 |
COC(=O)C1=CC(O)CCC1c1ccc(OC)cc1 | 0 |
COc1ccc(C2CCC(Cl)(OC)CC2C=O)cc1 | 0 |
COC(=O)C1(O)CC(=O)CCC1c1ccc(OC)cc1 | 0 |
COc1ccc2c(c1)C(=O)C1CC(=O)CCC21 | 0 |
C=CCC12CC(=O)CCC1c1ccc(OC)cc1C2=O | 0 |
C=C(Br)CC12CC3(CCC1c1ccc(OC)cc1C2=O)OCCO3 | 0 |
COC(=O)C1CC23CC1(OC(C)=O)CCC2c1ccc(OC)cc1C3=O | 0 |
COc1ccc2c(c1)C(=O)C13CC(C(=O)O)C(OC(C)=O)(CCC21)C3 | 0 |
COc1ccc2c(c1)C(=O)C13CC(C(=O)OCc4ccccc4)C(OC(C)=O)(CCC21)C3 | 0 |
CCOC(=O)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 | 1 |
COc1cc(C=O)c(-c2cc(OC)c(OC)cc2C=O)cc1OC | 0 |
O=c1ccc2ccccc2c2ccccc12 | 0 |
O=Cc1cc(O)c(O)c(O)c1-c1c(C=O)cc(O)c(O)c1O | 0 |
O=C1CC(Br)=Cc2ccccc2-c2ccccc21 | 0 |
Brc1cc2c(cc1C1SCCS1)OCO2 | 0 |
ON=Cc1cc2c(cc1Br)OCO2 | 0 |
CC1(C)COC(c2cc3c(cc2Br)OCO3)=N1 | 0 |
Ic1cc2c(cc1C1SCCCS1)OCO2 | 0 |
O=Cc1ccc2c(c1I)OCO2 | 0 |
O=Cc1ccc2c(c1-c1c(C=O)ccc3c1OCO3)OCO2 | 0 |
Oc1cc(C2OCCCO2)cc(O)c1O | 0 |
O=Cc1cc2c(cc1-c1cc3c(cc1C=O)OCO3)OCO2 | 0 |
COc1cc(C2(C)SCCCS2)cc(OC)c1OC | 0 |
CON=Cc1cc(OC)c(OC)c(OC)c1 | 0 |
CCOC(=O)C(I)=Cc1cc(OC)c(OC)c(OC)c1 | 0 |
COc1cc(C2(C)SCCCS2)c(I)c(OC)c1OC | 0 |
COc1cc(C=C(OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC | 0 |
COc1cc(C=O)c(-c2c(C=O)ccc3c2OCO3)c(OC)c1OC | 0 |
COc1cc(C(=O)O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC | 0 |
COC(=O)c1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1C=O)OCO2 | 0 |
CCOC=Cc1cc2c(c3c1-c1c(cc(OC)c(OC)c1OC)C3=O)OCO2 | 0 |
COC(=O)C=Cc1cc2c(cc1-c1c(C(=O)O)cc(OC)c(OC)c1OC)OCO2 | 0 |
O=Cc1cc2c(cc1-c1c(C=O)ccc3c1OCO3)OCO2 | 0 |
COC(=O)C1CCCC2(C1)OCCO2 | 0 |
C=CCC1(C(=O)OC)CCCC(=NO)C1 | 0 |
C=C1CC2CCCC12C=O | 0 |
COc1ccc2c(c1)CCC1C3(CCCC21C=O)OCCO3 | 0 |
COc1ccc2c(c1)CCC1=CC3(CCC12C)SCCS3 | 0 |
CC1(C(=O)O)CCCC2(C)C3CCC4(C=C3CCC12)SCCS4 | 0 |
COc1ccc2c(c1)CCC1C3(CCCC21C)OCCO3 | 0 |
CC12CCCC(O)C1CCC1=CC3(CCC12)SCCS3 | 0 |
COc1ccc2c(c1)CCC1=CC(=NNC(N)=O)CCC12C | 0 |
COC(=O)C1(C)CCCC2(C)C3=C(CCC12)CC1(CC3)SCCS1 | 0 |
O=C(c1ccco1)[N+]1=Cc2[nH]c3ccccc3c2CC1 | 0 |
COC1C=CC(C(=O)[N+]2=Cc3[nH]c4ccccc4c3CC2)O1 | 0 |
CCOC(=O)C1NCCc2c1[nH]c1ccccc21.Cl | 0 |
COC(=O)c1ccc(CN2CCc3c([nH]c4ccccc34)C2CO)o1 | 0 |
CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccco1 | 0 |
COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2C(=O)O)o1 | 0 |
COc1cc2c(o1)C(=O)N1CCc3c([nH]c4ccccc34)C21 | 0 |
CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc(OC)o1 | 0 |
c1ccc2c3c([nH]c2c1)C1CCCN1CC3 | 0 |
Cn1c2c(c3ccccc31)CCN1C(=O)CCC21 | 0 |
COc1ccc2c(c1)CCc1[nH]c3ccccc3c1CCCC2 | 0 |
O=C1C=C2CC3c4[nH]c5ccccc5c4CCN3CC2CC1 | 0 |
COC(=O)C(CC1CC(OC(C)=O)c2[nH]c3ccccc3c2CCN(C(C)=O)C1)C(=O)OC | 0 |
Cc1ccc2c(c1)SC(c1cc3c(cc1Br)OCO3)S2 | 0 |
COC(=O)C1=C(C(=O)OC)C2(OC(C)=O)c3ccccc3-c3ccccc3C12 | 0 |
COC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O | 0 |
CC(=O)OC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O | 0 |
CC(=O)OC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2(Cl)C(=O)O | 0 |
COC(=O)C1C(C(=O)OC)C2(OC)c3ccccc3-c3ccccc3C12 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.