text stringlengths 82 162 | input stringlengths 82 162 | output stringclasses 1
value | answer_choices sequencelengths 0 0 | correct_output_index float64 |
|---|---|---|---|---|
The chemical with the SMILES representation of CCCc1cc(=O)nc(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)[nH]1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of CCCc1cc(=O)nc(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)[nH]1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES representation of CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(N)=O is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES representation of CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(N)=O is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of CCN(CCNC(=O)C1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of CCN(CCNC(=O)C1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of CCOc1ccc(NC(=O)C2CCC(N3C(=O)C4CC=CCC4C3=O)CC2)cc1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of CCOc1ccc(NC(=O)C2CCC(N3C(=O)C4CC=CCC4C3=O)CC2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES CC1(C)CN=C(N2CCN(C3=NCC(C)(C)S3)CC2)S1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES CC1(C)CN=C(N2CCN(C3=NCC(C)(C)S3)CC2)S1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of COc1ccc2oc(C)c(C(N)=O)c2c1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of COc1ccc2oc(C)c(C(N)=O)c2c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of CCCCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of CCCCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES COc1ccc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CCCC2)c(OC)c1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES COc1ccc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CCCC2)c(OC)c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES representation of c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES representation of c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of Cc1cc(-c2nnc3sc(C4CCCCC4)nn23)n[nH]1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of Cc1cc(-c2nnc3sc(C4CCCCC4)nn23)n[nH]1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of COC(=O)C(F)(Sc1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of COC(=O)C(F)(Sc1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES O=C(CSCc1nc(=O)[nH][nH]1)NCCOc1cccc(Oc2ccccc2)c1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES O=C(CSCc1nc(=O)[nH][nH]1)NCCOc1cccc(Oc2ccccc2)c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccco1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccco1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES COC(=O)COc1cccc(NC(=O)c2cccs2)c1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES COC(=O)COc1cccc(NC(=O)c2cccs2)c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES Cc1cc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)n(-c2ccccc2)n1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES Cc1cc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)n(-c2ccccc2)n1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES representation of c1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of c1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES Cc1ccc(S(=O)(=O)c2nc(NC3CCS(=O)(=O)C3)sc2Cl)cc1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES Cc1ccc(S(=O)(=O)c2nc(NC3CCS(=O)(=O)C3)sc2Cl)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES CCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccs3)ccc21 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES CCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccs3)ccc21 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of NC(Cc1ccccc1)c1nnc2sc(SCc3ccccc3)nn12 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of NC(Cc1ccccc1)c1nnc2sc(SCc3ccccc3)nn12 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of COc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of COc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES O=C(CCS(=O)(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES O=C(CCS(=O)(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of CCOC(=O)C1(Nc2nccs2)Sc2ccccc2NC1=O is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of CCOC(=O)C1(Nc2nccs2)Sc2ccccc2NC1=O is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES representation of O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES representation of O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES representation of CCOC(=O)N1CCN(C(c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of CCOC(=O)N1CCN(C(c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of CC(C)(C)C1CCC2(CC1)NC(CO)(CO)CO2 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of CC(C)(C)C1CCC2(CC1)NC(CO)(CO)CO2 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of CC(C)N1CCC2(CC1)NC(CO)(CO)CO2 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of CC(C)N1CCC2(CC1)NC(CO)(CO)CO2 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES representation of O=C(NCc1ccco1)Nc1cccs1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of O=C(NCc1ccco1)Nc1cccs1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES representation of Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES representation of Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES representation of Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(C)n1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(C)n1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCC1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCC1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of c1ccc(-n2nnnc2Sc2n[nH]c(-c3ccncc3)n2)cc1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of c1ccc(-n2nnnc2Sc2n[nH]c(-c3ccncc3)n2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES representation of Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES representation of Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES Cn1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES Cn1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of COc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)cc1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of COc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2Cc2ccccc2)cc1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2Cc2ccccc2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3nnc(C)c-3c2N)cc1Cl is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3nnc(C)c-3c2N)cc1Cl is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of COc1ccc(OCCC(=O)NC2=NCCS2)cc1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of COc1ccc(OCCC(=O)NC2=NCCS2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES Cc1ccccc1SCC(=O)NC1CCOC1=O is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES Cc1ccccc1SCC(=O)NC1CCOC1=O is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES CC(Sc1nnnn1C)C(=O)Nc1ccccc1-c1ccccc1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES CC(Sc1nnnn1C)C(=O)Nc1ccccc1-c1ccccc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES COc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CS(=O)(=O)C3)cc1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES COc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CS(=O)(=O)C3)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES representation of CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES representation of CCOC(=O)CSc1nn(C)c(=S)s1 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES representation of CCOC(=O)CSc1nn(C)c(=S)s1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES CCc1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)s1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES CCc1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)s1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES representation of O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES representation of O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES COc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES COc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES COc1ccc(N2C(=O)CCC(C(=O)Nc3ccccn3)C2c2ccc(OC)c(OC)c2)cc1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES COc1ccc(N2C(=O)CCC(C(=O)Nc3ccccn3)C2c2ccc(OC)c(OC)c2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES representation of CN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of CN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES representation of COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES representation of COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES O=C(Nc1ccccc1)N1CCSCC1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES O=C(Nc1ccccc1)N1CCSCC1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of CSc1nc(N)nc(SCC(=O)c2ccccc2)c1C#N is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of CSc1nc(N)nc(SCC(=O)c2ccccc2)c1C#N is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of Cc1cc(N2CCCCC2)nc(SCC(=O)c2ccccc2)n1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of Cc1cc(N2CCCCC2)nc(SCC(=O)c2ccccc2)n1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES CC(C)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES CC(C)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES COc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES COc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES Nn1c(COc2ccccc2)nnc1SC(F)F is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES Nn1c(COc2ccccc2)nnc1SC(F)F is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)C3)cc1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)C3)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecule with the SMILES CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12 is not an inhibitor of HIV RT-RNase. | The molecule with the SMILES CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES CC(=O)Nc1nnc(SCc2cccc(F)c2)s1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES CC(=O)Nc1nnc(SCc2cccc(F)c2)s1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2ncccn2)CC1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2ncccn2)CC1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of COC(=O)c1cccc(NC(=O)CN2CCOCC2)c1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of COC(=O)c1cccc(NC(=O)CN2CCOCC2)c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES representation of Cc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of Cc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES CCN1C(=O)c2cccc3c(NC(=O)C(C)(C)C)ccc1c23 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES CCN1C(=O)c2cccc3c(NC(=O)C(C)(C)C)ccc1c23 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES representation of CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(Cl)cc2)CO1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES representation of CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(Cl)cc2)CO1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES CCCCOC(=O)Nc1nnc(-c2ccccc2OC)s1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES CCCCOC(=O)Nc1nnc(-c2ccccc2OC)s1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES CCc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES CCc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of Cc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1=O is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of Cc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1=O is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of OCCn1c(SC2CCCCC2)nc2ccccc21 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of OCCn1c(SC2CCCCC2)nc2ccccc21 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1CC is not an inhibitor of HIV RT-RNase. | The compound with the SMILES CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1CC is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES N#CCCCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES N#CCCCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES representation of CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC(C)=O)c(OC)c1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES representation of CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC(C)=O)c(OC)c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES representation of N#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(Cl)cc1 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES representation of N#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(Cl)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical compound with the SMILES COCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 is not an inhibitor of HIV RT-RNase. | The chemical compound with the SMILES COCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES Cc1cccc(-c2nnc(SCC(=O)Nc3ccnn3C(C)C)n2C)c1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES Cc1cccc(-c2nnc(SCC(=O)Nc3ccnn3C(C)C)n2C)c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The chemical with the SMILES c1ccc(OCCSc2nnc3sc4ccccc4n23)cc1 is not an inhibitor of HIV RT-RNase. | The chemical with the SMILES c1ccc(OCCSc2nnc3sc4ccccc4n23)cc1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The molecular species with the SMILES representation of CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)on1 is not an inhibitor of HIV RT-RNase. | The molecular species with the SMILES representation of CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)on1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES COc1ccc2[nH]c3c(=O)n(CCCCC(=O)N4CCC(C(N)=O)CC4)c(=S)[nH]c3c2c1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES COc1ccc2[nH]c3c(=O)n(CCCCC(=O)N4CCC(C(N)=O)CC4)c(=S)[nH]c3c2c1 is not an inhibitor of HIV RT-RNase. | [] | null | |
The compound with the SMILES Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCc2ccco2)c1 is not an inhibitor of HIV RT-RNase. | The compound with the SMILES Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCc2ccco2)c1 is not an inhibitor of HIV RT-RNase. | [] | null |
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Dataset Details
Dataset Description
Activity in the MUV_652 assay
- Curated by:
- License: CC BY 4.0
Dataset Sources
Citation
BibTeX:
@article{doi:10.1021/ci8002649,
author = {Rohrer, Sebastian G. and Baumann, Knut},
title = {Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data},
journal = {Journal of Chemical Information and Modeling},
volume = {49},
number = {2},
pages = {169-184},
year = {2009},
doi = {10.1021/ci8002649},
URL = {https://doi.org/10.1021/ci8002649}}
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