smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
OCCCCCNc1nc(O)c2nc[nH]c2n1 | 0 |
Clc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl | 0 |
CCCCc1ccc(Nc2nc(O)c3ncn(COCCBr)c3n2)cc1 | 0 |
CC(=O)OCCOCn1cnc2c(Cl)nc(Cl)nc21 | 0 |
Cc1ccc(Nc2nc(O)c3cc[nH]c3n2)cc1 | 0 |
Cc1ccc(Nc2cc(O)nc(S)n2)cc1.[NaH] | 0 |
CCCCc1ccc(Nc2nc(Cl)c3c(ncn3COCCOC(C)=O)n2)cc1 | 0 |
CCCCc1ccc(Nc2nc(S)c3ncn(COCCO)c3n2)cc1 | 0 |
CCCCc1ccc(Nc2nc(Cl)c3ncn(COCCOC(C)=O)c3n2)cc1 | 0 |
CCCCc1ccc(Nc2ncc3ncn(COCCO)c3n2)cc1 | 0 |
CCCCc1ccc(Nc2nc(O)c3ncn(COCCO)c3n2)cc1 | 0 |
CCCCc1ccc(Nc2nc(N)c3ncn(COCCO)c3n2)cc1 | 0 |
CCCCc1ccc(Nc2ncc3nc[nH]c3n2)cc1 | 0 |
CCCCc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1 | 0 |
Cc1ccc(Nc2nc(O)nc(O)n2)cc1N=[N+]=[N-] | 0 |
[N-]=[N+]=NCc1cccc(Nc2cc(O)nc(O)n2)c1 | 1 |
[N-]=[N+]=Nc1ccc(CNc2cc(O)nc(O)n2)cc1 | 0 |
Cn1c(N)c(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O | 0 |
Nc1nc(Cl)cc(N=Nc2ccccc2)n1 | 0 |
CC1Oc2cc(O)c3ccc(=O)oc3c2C(=O)C1C | 0 |
CCCc1cc(=O)oc2c3c(cc(OC(C)CC)c12)OC(C)C(C)C3O | 1 |
CC(C)C(OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1)C(C)C | 0 |
CNC(C#N)c1ccc(OC)cc1 | 0 |
N#CC(N)c1ccc(OCCCCCCCCCCOc2ccc(C(N)C#N)cc2)cc1 | 0 |
N#CC(NCCc1ccccc1)c1ccc(OCCCCCCCCCCOc2ccc(C(C#N)NCCc3ccccc3)cc2)cc1 | 0 |
N#CC(NCCc1ccccc1)c1ccc(C(C#N)NCCc2ccccc2)cc1 | 0 |
CCCNC(C#N)c1ccc(C(C#N)NCCC)cc1 | 0 |
N#CC(Nc1ccccc1)c1ccc(C(C#N)Nc2ccccc2)cc1 | 0 |
CC(C#N)NCc1ccc(C(C)NC(C)C#N)cc1 | 0 |
CC(C#N)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(NC(C)C#N)cc4)cc3)cc2)cc1 | 0 |
CCC(C#N)NCc1ccc(CNC(C#N)CC)cc1 | 0 |
CCC(C#N)NCc1cccc(CNC(C#N)CC)c1 | 0 |
N#CC(NCc1cccc(CNC(C#N)c2ccccc2)c1)c1ccccc1 | 0 |
COc1ccc(C(C#N)NCCCCCCNC(C#N)c2ccc(OC)cc2)cc1 | 0 |
N#CC(c1ccc(O)cc1)N1CCN(C(C#N)c2ccc(O)cc2)CC1 | 0 |
N#CC1N(C(=O)c2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 | 0 |
N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 | 0 |
CC(=O)N(CCc1ccccc1)C(C#N)c1ccccc1 | 0 |
CC(C#N)N(CCc1ccccc1)C(=O)c1ccccc1 | 0 |
N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 | 0 |
CCCCCCN(C(=O)Oc1ccccc1)C(C#N)c1ccccc1 | 0 |
CC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 | 0 |
CC(=O)N(CCc1ccccc1)C(C)(C#N)c1ccccc1 | 0 |
CCC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 | 0 |
CCC1(c2ccccc2)C(=O)N=C(c2ccccc2)N1CCc1ccccc1 | 0 |
CC1=NC(=O)C(C)(c2ccccc2)N1CCc1ccccc1 | 0 |
N#CC(c1ccccc1)N(CCCCCCN(C(=O)c1ccccc1)C(C#N)c1ccccc1)C(=O)c1ccccc1 | 0 |
N#CC(c1ccccc1)N(CCOCCOCCN(C(=O)c1ccccc1)C(C#N)c1ccccc1)C(=O)c1ccccc1 | 0 |
N#CC(c1ccccc1)N(CCOCCOCCN(C(=O)c1cccc2ccccc12)C(C#N)c1ccccc1)C(=O)c1cccc2ccccc12 | 0 |
CCC(C#N)N(Cc1ccc(CN(C(=O)c2ccccc2)C(C#N)CC)cc1)C(=O)c1ccccc1 | 0 |
CCC(C#N)N(Cc1cccc(CN(C(C)=O)C(C#N)CC)c1)C(C)=O | 0 |
CCCN(C(=O)c1ccccc1)C(C#N)c1ccc(C(C#N)N(CCC)C(=O)c2ccccc2)cc1 | 0 |
CC(=O)N(CCc1ccccc1)C(C#N)c1ccc(OCCCCCCCCCCOc2ccc(C(C#N)N(CCc3ccccc3)C(C)=O)cc2)cc1 | 0 |
N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccc(C(=O)N(CCc2ccccc2)C(C#N)c2ccccc2)cc1 | 0 |
CCC(C#N)NC(=O)NC(C#N)CC | 0 |
C=CCN1C(N)=C(C#N)C(C#N)(C#N)C1CCC | 0 |
N#CC1=C(N)N(c2ccccc2)C(c2ccco2)C1(C#N)C#N | 0 |
N#CC1=C(N)N(c2ccccc2)C(c2ccccc2)C1(C#N)C#N | 0 |
Cc1ccccc1N1C(N)=C(C#N)C(C#N)(C#N)C1c1ccccc1 | 0 |
Cc1ccc(N2C(N)=C(C#N)C(C#N)(C#N)C2c2ccccc2)cc1 | 0 |
COc1ccc(N2C(N)=C(C#N)C(C#N)(C#N)C2c2cccc([N+](=O)[O-])c2)cc1 | 0 |
CCC=NN1C(N)=C(C#N)C(C#N)(C#N)C1CC | 0 |
CC(C)C=NN1C(N)=C(C#N)C(C#N)(C#N)C1C(C)C | 0 |
N#CC1=C(N)N(N=Cc2ccccc2)C(c2ccccc2)C1(C#N)C#N | 0 |
N#CC1=C(N)N(N=Cc2ccco2)C(c2ccco2)C1(C#N)C#N | 0 |
C=CCn1c(N)c(C#N)c(C#N)c1CCC | 0 |
CC(C)Cc1c(C#N)c(C#N)c(N)n1Cc1ccccc1 | 0 |
C=CCn1c(N)c(C#N)c(C#N)c1-c1ccccc1 | 0 |
N#Cc1c(C#N)c(-c2ccccc2)n(Cc2ccccc2)c1N | 0 |
N#Cc1c(C#N)c(-c2ccccc2)n(-c2ccccc2)c1N | 0 |
COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2ccccc2)cc1 | 0 |
COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2cccc([N+](=O)[O-])c2)cc1 | 0 |
N#Cc1c(C#N)c(-c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)c1N | 0 |
N#Cc1c(C#N)c(-c2ccco2)n(-c2ccccc2)c1N | 0 |
COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2ccco2)cc1 | 0 |
CC=Nn1c(C)c(C#N)c(C#N)c1N | 0 |
CC(C)C=Nn1c(N)c(C#N)c(C#N)c1C(C)C | 0 |
N#Cc1c(C#N)c(-c2ccccc2)n(N=Cc2ccccc2)c1N | 0 |
N#Cc1c(C#N)c(-c2ccco2)n(N=Cc2ccco2)c1N | 0 |
CC1C(C#N)(C#N)C(C#N)=C(N)C1(C)[N+](=O)[O-] | 0 |
CC1C(C#N)(C#N)C(C#N)=C(N)C1(Cl)[N+](=O)[O-] | 0 |
CC(=O)C1(C)CC(C#N)(C#N)C(C#N)=C1N | 0 |
CCCC1C(C#N)(C#N)C(C#N)=C(N)C1(C)C(C)=O | 0 |
CC1CC(N)=C(C#N)C1(C#N)C#N | 0 |
CC1(C)CC2(C)OC(=N)C1(C#N)C2(C#N)C#N | 0 |
CCOC(=O)C1C(C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N | 0 |
CCOC(=O)C1C(C(C)C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N | 0 |
CCOC(=O)C1C(c2ccco2)C2(C#N)C(=N)OC1(C)C2(C#N)C#N | 0 |
CCOC(=O)C1C(c2ccccc2)C2(C#N)C(=N)OC1(C)C2(C#N)C#N | 0 |
N#CC12CC(C=O)=C(N)C1(C#N)CC(C=O)=C2N | 0 |
CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 | 0 |
CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)C1N=Nc1ccc(C(=O)O)cc1 | 0 |
CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 | 0 |
CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 | 0 |
CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)C1N=Nc1ccc(C(=O)O)cc1 | 0 |
CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 | 0 |
CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 | 0 |
COc1ccccc1NC(=O)CC(=O)N1N=C(C)C(N=Nc2ccc(C(=O)O)cc2)C1=O | 0 |
COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(C(=O)O)cc3)C2=O)c1 | 0 |
COc1ccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(C(=O)O)cc3)C2=O)cc1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.