smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
Cc1nc2sccn2c1C(=O)NNC(N)=S | 0 |
CNC(=S)NNC(=O)c1c(C)nc2sccn12 | 0 |
C=CCNC(=S)NNC(=O)c1c(C)nc2sccn12 | 0 |
Cc1nc2sccn2c1C(=O)NN=C1SCC(=O)N1C | 0 |
C=CCN1C(=O)CSC1=NNC(=O)c1c(C)nc2sccn12 | 0 |
CC1(O)CCn2c(=O)c3cc4ccccc4cc3c(=O)n2C1O | 0 |
CCOC1C(Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2C1C | 0 |
CC(C)C12C=CC(C)(CC1)n1c(=O)c3cc4ccccc4cc3c(=O)n12 | 0 |
CC(=O)C1=C(C)Cn2c(=O)c3ccccc3c(=O)n2C1 | 0 |
COC(=O)C1C=CC(C)n2c(=O)c3cc4ccccc4cc3c(=O)n21 | 0 |
CC(=O)C1Cn2c(=O)c3cc4ccccc4cc3c(=O)n2C=C1C | 0 |
N#CC1=C(N)CCSSSC1 | 0 |
COC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C(OC)(c1ccccc1)C(F)(F)F | 0 |
CN(c1ccccc1)c1cc2ccccc2nn1 | 0 |
Cc1nsc2cc(Cl)n(C)c(=O)c12 | 0 |
CC(C)(C)N=NC(C)(C)N=C=O | 0 |
CN1C(=S)CSc2ccccc21 | 0 |
CN1OC2OC(=O)OC2C1C1OC(c2ccccc2)OC1(C)c1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 | 0 |
OCCN1CCN(CCO)Cc2ccccc2OCCOc2ccccc2C1 | 0 |
CC(C)(C)C(=CS(=O)N=Cc1ccccc1)C(C)(C)C | 0 |
CC(=O)Nc1[nH]n(C)c(=O)c1-c1nnc(C)s1 | 0 |
Cc1nccc2c1cnc1ccnn12 | 0 |
O=c1[nH]n2c(=O)cc[nH]c2c1-c1nnns1 | 0 |
COc1ccc2c3c(nc(O)c2c1C(=O)O)-c1ccccc1CC3 | 0 |
COc1ccc2c3c(n(Cc4ccccc4)c(=O)c2c1)-c1cc(OC)c(OC)cc1C3C | 0 |
CC(C)C1COC(c2cccc(C3=NC(C(C)C)CO3)n2)=N1 | 0 |
CC(C)C(CCl)NC(=O)c1cccc(C(=O)NC(CCl)C(C)C)n1 | 0 |
CC(C)(CCl)NC(=O)c1cccc(C(=O)NC(C)(C)CCl)n1 | 0 |
CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)n2)=N1 | 0 |
COC(=O)C1C=CCON2CCc3c(n(C)c4ccccc34)C12 | 0 |
COC(=O)C1C=CCON2CCc3c(n(S(=O)(=O)c4ccccc4)c4ccccc34)C12 | 0 |
COc1cc(Nc2cnc3ccc(N)cc3n2)cc(OC)c1OC | 0 |
COc1cc(CNc2cnc3ccc(N)cc3n2)cc(OC)c1OC | 0 |
CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1)C(=O)OCC | 0 |
C#CCN(Cc1ccc2nc(-c3ccccc3)c(Cl)nc2c1)c1cc(OC)c(OC)c(OC)c1 | 0 |
CCOC(=O)c1ncn2c1[nH]c(=S)c1ccccc12 | 0 |
N=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21 | 0 |
CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 | 0 |
CC(C)=CCc1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 | 0 |
CC(=O)Oc1cc(OC(C)=O)c(CC=C(C)C)c(-c2cc3ccc(OC(C)=O)c(CC=C(C)CCC=C(C)C)c3o2)c1 | 0 |
CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4O)c(OC(C)=O)cc(O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1 | 0 |
CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4OC(C)=O)c(OC(C)=O)cc(O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1 | 0 |
CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4OC(C)=O)c(OC(C)=O)cc(OC(C)=O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1 | 0 |
CC(C)=CCc1c(-c2ccc(O)cc2OC2OC(CO)C(O)C(O)C2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 | 0 |
CC(C)=CCCC(C)=CCc1c(O)ccc2cc(-c3cc(O)cc(O)c3CC=C(C)C)oc12 | 0 |
CC1=CC2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4C(C1)C23 | 0 |
CC1=CC2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC3(c4ccc(O)cc4O)Oc4cc(O)ccc4C(C1)C23 | 0 |
Cn1cc2ccccc2c1-c1nc(F)nc(F)n1 | 0 |
Fc1nc(F)nc(-c2c3ccccc3c3n2CCS3)n1 | 0 |
CCSc1c2ccccc2c(-c2nc(F)nc(F)n2)n1CCc1ccccc1 | 0 |
CCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1 | 0 |
CCCCCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1 | 0 |
CCCn1c(SCC)c2cc3cc4ccccc4cc3cc2c1-c1nc(F)nc(F)n1 | 0 |
CCCn1c(SCCSc2c3ccccc3c(-c3nc(F)nc(F)n3)n2CCC)c2ccccc2c1-c1nc(F)nc(F)n1 | 0 |
Cn1cc2ccccc2c1-c1nc(N)nc(F)n1 | 0 |
Cn1cc2ccccc2c1-c1nc(F)nc(Nc2ccc(N)cc2)n1 | 0 |
Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1 | 0 |
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4cn3C)n2)cc1 | 0 |
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7cn6C)n5)ccc4C3CCC21C | 0 |
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1 | 0 |
Cn1cc2ccccc2c1-c1nc(F)nc(Oc2ccc3c(c2)CCC2C3CCC3(C)C(O)CCC23)n1 | 0 |
Cn1cc2ccccc2c1-c1nc(F)nc(Oc2ccc3c(c2)CCC2C3CCC3(C)C(O)C(O)CC23)n1 | 0 |
Cn1cc2ccccc2c1-c1nc(F)nc(OCC(=O)C2CCC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C)n1 | 0 |
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7c(SCC)n6CCC)n5)ccc4C3CCC21C | 0 |
CC1CCCc2c1c1ccc3c(O)cccc3c1oc2=O | 0 |
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCCCCC.[NaH] | 0 |
CC1=C(CCc2ccoc2)C2(C)CCCC(C)(C)C2C(=O)C1OC1C(=O)C2C(C)(C)CCCC2(C)C(O)(CCc2ccoc2)C1C | 0 |
c1ccc2c(c1)OCCOCCOc1ccccc1OCCO2 | 0 |
COc1cccc2c1C1=CC(=O)CCC1C(C)(C)O2 | 0 |
CCOC1[C-]([Fe+2]2345(C#[O+])(C#[O+])C6=C2[C-]3C4=C65)CC2(C)C(=O)C3=C4C5=C(C12)[Fe]345(C#[O+])(C#[O+])C#[O+] | 0 |
CC1=CCC2C(=O)C3=C4C5=C(C12)[Fe]345(C#[O+])(C#[O+])C#[O+] | 0 |
O=C1C2=C3C4=C(C5C1CCC5C1OCCO1)[Fe]234(C#[O+])(C#[O+])C#[O+] | 0 |
COc1cc(Cl)cc(O)c(=O)c1OC | 0 |
CSc1cnc2ccccc2c1Sc1c[nH]c2ccccc2c1=O | 0 |
CSc1cnc2ccccc2c1Sc1cn(C)c2ccccc2c1=O | 0 |
CNC=C(c1ccc(OC)cc1)C(O)c1ccc(OC)c(OC)c1 | 0 |
COc1ccc(C(O)C(=Cn2ccnc2)c2ccccc2)cc1OC | 0 |
COc1cc2c(cc1OC)C(N(C)C)C(c1ccccc1)=C2Cl | 0 |
COc1ccc(C(=Cn2ccnc2)C(O)c2ccc(OC)c(OC)c2)cc1OC | 0 |
CNC=C(C(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 | 0 |
CC(C)=C1C2C(C13C(=O)OC(C)(C)OC3=O)C2(C)C | 0 |
Nc1c(Cl)ncnc1Nc1ccc(Cc2ccc(Nc3ncnc(Cl)c3N)cc2)cc1 | 0 |
CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)-c2ccc(S(=O)(=O)NCCCC)cc2S3(=O)=O)cc1 | 0 |
COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N2C(=O)NC3C(CCCCC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)SCC32)cc1 | 0 |
O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1 | 0 |
COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1O | 0 |
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 | 0 |
CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O | 0 |
CC(C)(O)C(O)COc1c2c(cc3oc(=O)ccc13)OCO2 | 0 |
CCOC(=O)C(C(=O)OCC)S(C)(=O)=O | 0 |
CCOC(=O)CC(=O)Sc1ccccc1 | 0 |
COC(=O)CC(=O)OSc1ccccc1 | 0 |
C=CCCCC12CCCc3cccc(c31)NC2=O | 0 |
C=CCCCC12CCCc3cccc(c31)NC2=S | 0 |
CCCn1ccc(=O)c(O)c1C | 0 |
CC(=O)C(CN1C(=O)c2ccccc2C1=O)C(C)=O | 0 |
C=CCCCN1CCCCC1=S | 0 |
C=CCCCN1CCCC(C)C1=S | 0 |
C=CCCCC1CCCNC1=O | 0 |
C=CCCCC1CCCNC1=S | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.