text stringlengths 74 172 | input stringlengths 74 172 | output stringclasses 1
value | answer_choices sequencelengths 0 0 | correct_output_index float64 |
|---|---|---|---|---|
The molecular species with the SMILES Cc1cccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES Cc1cccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES CCc1cccc2c1NC(=O)C21C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21 is not an inhibitor of the heat shock protein 90. | The compound with the SMILES CCc1cccc2c1NC(=O)C21C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES COc1ccccc1NC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(C)o1 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES COc1ccccc1NC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(C)o1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 is not an inhibitor of HSP90. | The chemical with the SMILES Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES CCc1cc2c(CN3CCN(C)CC3)cc(=O)oc2cc1O is not an inhibitor of HSP90. | The chemical with the SMILES CCc1cc2c(CN3CCN(C)CC3)cc(=O)oc2cc1O is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES CCOCC(=O)Nc1c(C(=O)OCC)oc2ccccc12 is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES CCOCC(=O)Nc1c(C(=O)OCC)oc2ccccc12 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1 is an inhibitor of HSP90. | The molecular species with the SMILES COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1 is an inhibitor of HSP90. | [] | null | |
The compound with the SMILES CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 is not an inhibitor of the heat shock protein 90. | The compound with the SMILES CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES representation of Cn1c(NCCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 is not an inhibitor of HSP90. | The molecular species with the SMILES representation of Cn1c(NCCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES CCOc1ccc(NC(=O)C2CCC(N3C(=O)C4CC=CCC4C3=O)CC2)cc1 is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES CCOc1ccc(NC(=O)C2CCC(N3C(=O)C4CC=CCC4C3=O)CC2)cc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES representation of Cc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccco1 is not an inhibitor of HSP90. | The chemical compound with the SMILES representation of Cc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccco1 is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES representation of OC(COc1ccc(OCc2ccccc2)cc1)CN1CCOCC1 is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES representation of OC(COc1ccc(OCc2ccccc2)cc1)CN1CCOCC1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES representation of COc1ccc2oc(C)c(C(N)=O)c2c1 is not an inhibitor of the heat shock protein 90. | The molecule with the SMILES representation of COc1ccc2oc(C)c(C(N)=O)c2c1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES Cc1cccc2sc(NC(=O)Cn3cccc3)nc12 is not an inhibitor of HSP90. | The molecule with the SMILES Cc1cccc2sc(NC(=O)Cn3cccc3)nc12 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES representation of c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1 is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES representation of c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species 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 HSP90. | The molecular species 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 HSP90. | [] | null | |
The chemical compound with the SMILES COc1cccc(N2CCN(C3OC(=O)c4ccccc43)CC2)c1 is not an inhibitor of HSP90. | The chemical compound with the SMILES COc1cccc(N2CCN(C3OC(=O)c4ccccc43)CC2)c1 is not an inhibitor of HSP90. | [] | null | |
The compound with the SMILES representation of O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2ccc3c(c2)OCO3)CC1 is not an inhibitor of HSP90. | The compound with the SMILES representation of O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2ccc3c(c2)OCO3)CC1 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES COC(=O)COc1cccc(NC(=O)c2cccs2)c1 is not an inhibitor of HSP90. | The chemical with the SMILES COC(=O)COc1cccc(NC(=O)c2cccs2)c1 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES Cc1c(/N=C/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C is not an inhibitor of HSP90. | The chemical with the SMILES Cc1c(/N=C/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C is not an inhibitor of HSP90. | [] | null | |
The molecule with the SMILES representation of COc1ccc(CC(=O)N2CC3(C)CC2CC(C)(C)C3)cc1OC is not an inhibitor of HSP90. | The molecule with the SMILES representation of COc1ccc(CC(=O)N2CC3(C)CC2CC(C)(C)C3)cc1OC is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES Cc1c(NC(=O)C2CC=CCC2C(=O)O)c(=O)n(-c2ccccc2)n1C is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES Cc1c(NC(=O)C2CC=CCC2C(=O)O)c(=O)n(-c2ccccc2)n1C is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1 is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES representation of CCOC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)C3CCN(C(=O)OCC)CC3)cc2)CC1 is not an inhibitor of HSP90. | The chemical with the SMILES representation of CCOC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)C3CCN(C(=O)OCC)CC3)cc2)CC1 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1 is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES representation of O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccn1 is not an inhibitor of the heat shock protein 90. | The molecule with the SMILES representation of O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccn1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES CC(=O)c1cnc2nc(C)nn2c1C is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES CC(=O)c1cnc2nc(C)nn2c1C is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES representation of CCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2 is not an inhibitor of the heat shock protein 90. | The compound with the SMILES representation of CCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2 is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES C=C(C)COc1ccc2oc(C)c(C(=O)OCCOC)c2c1 is not an inhibitor of the heat shock protein 90. | The compound with the SMILES C=C(C)COc1ccc2oc(C)c(C(=O)OCCOC)c2c1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES CCN(CCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(C)c1 is not an inhibitor of HSP90. | The chemical compound with the SMILES CCN(CCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(C)c1 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES representation of Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc43)ccc21 is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES representation of Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc43)ccc21 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES representation of CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)ccc1C#N is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES representation of CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)ccc1C#N is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES representation of CCOC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES representation of CCOC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES representation of Cc1ccc(NC(=O)c2ccco2)cc1C is not an inhibitor of the heat shock protein 90. | The compound with the SMILES representation of Cc1ccc(NC(=O)c2ccco2)cc1C is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES representation of CCOC(=O)N1CCN(C(c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 is not an inhibitor of HSP90. | The molecule with the SMILES representation of CCOC(=O)N1CCN(C(c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 is not an inhibitor of HSP90. | [] | null | |
The compound with the SMILES representation of CC(C)(C)C1CCC2(CC1)NC(CO)(CO)CO2 is not an inhibitor of HSP90. | The compound with the SMILES representation of CC(C)(C)C1CCC2(CC1)NC(CO)(CO)CO2 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES COc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O is not an inhibitor of HSP90. | The chemical compound with the SMILES COc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES Cn1c(=O)cc(OCCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES Cn1c(=O)cc(OCCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES O=C(c1cnc2sccn2c1=O)N1CCCc2ccccc21 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES O=C(c1cnc2sccn2c1=O)N1CCCc2ccccc21 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3 is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES O=C(O)c1ccc2c(c1)ncn2C1CCCCCC1 is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES O=C(O)c1ccc2c(c1)ncn2C1CCCCCC1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES representation of COc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1OC is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES representation of COc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1OC is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES COC(=O)c1c(C)noc1-c1cc(C)on1 is not an inhibitor of the heat shock protein 90. | The molecule with the SMILES COC(=O)c1c(C)noc1-c1cc(C)on1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES O=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1 is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES O=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES CC(C)CC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1 is not an inhibitor of HSP90. | The molecular species with the SMILES CC(C)CC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES CCn1c(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(=O)c2ccccc21 is not an inhibitor of HSP90. | The chemical compound with the SMILES CCn1c(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(=O)c2ccccc21 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 is not an inhibitor of HSP90. | The chemical with the SMILES CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES c1ccc(-c2nc[nH]c2-c2ccccc2)cc1 is not an inhibitor of HSP90. | The molecular species with the SMILES c1ccc(-c2nc[nH]c2-c2ccccc2)cc1 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES Cc1occc1C(=O)N1CCCc2ccccc21 is not an inhibitor of HSP90. | The chemical compound with the SMILES Cc1occc1C(=O)N1CCCc2ccccc21 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES O=C(c1ccc(F)cc1)N1CCC(O)(c2cccnc2)CC1 is not an inhibitor of HSP90. | The chemical with the SMILES O=C(c1ccc(F)cc1)N1CCC(O)(c2cccnc2)CC1 is not an inhibitor of HSP90. | [] | null | |
The molecule with the SMILES CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 is not an inhibitor of HSP90. | The molecule with the SMILES CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES representation of Cc1ccccc1SCC(=O)NC1CCOC1=O is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES representation of Cc1ccccc1SCC(=O)NC1CCOC1=O is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES representation of O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES representation of O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES O=C(COC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1ccc2c(c1)CCC2 is not an inhibitor of HSP90. | The compound with the SMILES O=C(COC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1ccc2c(c1)CCC2 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES representation of Cc1cc2nc(C3CCN(CC4COc5ccccc5O4)CC3)[nH]c2cc1C is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES representation of Cc1cc2nc(C3CCN(CC4COc5ccccc5O4)CC3)[nH]c2cc1C is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES representation of Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2)n1 is not an inhibitor of the heat shock protein 90. | The compound with the SMILES representation of Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2)n1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES Cc1ccc2cccc(O)c2[n+]1[O-] is not an inhibitor of HSP90. | The compound with the SMILES Cc1ccc2cccc(O)c2[n+]1[O-] is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES representation of O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES representation of O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES representation of CCCc1cc(C(=O)NCc2ccccc2)no1 is not an inhibitor of HSP90. | The molecular species with the SMILES representation of CCCc1cc(C(=O)NCc2ccccc2)no1 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES representation of Cn1nc(C(=O)Nc2cccnc2)c2ccccc2c1=O is not an inhibitor of HSP90. | The chemical with the SMILES representation of Cn1nc(C(=O)Nc2cccnc2)c2ccccc2c1=O is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES representation of CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES representation of CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES representation of COc1ccc(CC(C(=O)Nc2cc(C)ccc2C)/C(N)=N/O)cc1 is not an inhibitor of HSP90. | The chemical compound with the SMILES representation of COc1ccc(CC(C(=O)Nc2cc(C)ccc2C)/C(N)=N/O)cc1 is not an inhibitor of HSP90. | [] | null | |
The molecule with the SMILES representation of COc1cc2cc(CN(Cc3cccnc3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1OC is not an inhibitor of HSP90. | The molecule with the SMILES representation of COc1cc2cc(CN(Cc3cccnc3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1OC is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1 is not an inhibitor of HSP90. | The molecular species with the SMILES CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1 is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES representation of O=C(NCc1ccccc1)c1cc(-c2cccc(O)c2)on1 is not an inhibitor of HSP90. | The molecular species with the SMILES representation of O=C(NCc1ccccc1)c1cc(-c2cccc(O)c2)on1 is not an inhibitor of HSP90. | [] | null | |
The compound with the SMILES O=C1Nc2ccccc2OC1CC(=O)N1CCCC1 is not an inhibitor of the heat shock protein 90. | The compound with the SMILES O=C1Nc2ccccc2OC1CC(=O)N1CCCC1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES representation of O=C1C(=C\NO)/C(=N/c2ccccc2)N=C2C=CC=CN12 is not an inhibitor of HSP90. | The molecular species with the SMILES representation of O=C1C(=C\NO)/C(=N/c2ccccc2)N=C2C=CC=CN12 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES representation of C/C(=C\C(=O)c1ccncc1)Nc1ccccc1O is not an inhibitor of HSP90. | The chemical compound with the SMILES representation of C/C(=C\C(=O)c1ccncc1)Nc1ccccc1O is not an inhibitor of HSP90. | [] | null | |
The compound with the SMILES representation of COc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 is not an inhibitor of HSP90. | The compound with the SMILES representation of COc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 is not an inhibitor of HSP90. | [] | null | |
The compound with the SMILES representation of Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1C is not an inhibitor of the heat shock protein 90. | The compound with the SMILES representation of Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1C is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES representation of CCCNC(=O)NCCc1ccncc1 is not an inhibitor of the heat shock protein 90. | The molecule with the SMILES representation of CCCNC(=O)NCCc1ccncc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical with the SMILES CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12 is not an inhibitor of HSP90. | The chemical with the SMILES CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12 is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES Cc1ccc(OCC(=O)n2cnnc2N)c(C)c1 is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES Cc1ccc(OCC(=O)n2cnnc2N)c(C)c1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES representation of O=C(c1ccco1)N(Cc1nc(=O)c2ccccc2[nH]1)C1CCCC1 is not an inhibitor of HSP90. | The compound with the SMILES representation of O=C(c1ccco1)N(Cc1nc(=O)c2ccccc2[nH]1)C1CCCC1 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES representation of Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES representation of Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES representation of COC(=O)c1cccc(NC(=O)CN2CCOCC2)c1 is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES representation of COC(=O)c1cccc(NC(=O)CN2CCOCC2)c1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES CCCOc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 is not an inhibitor of the heat shock protein 90. | The compound with the SMILES CCCOc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES Cc1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1 is not an inhibitor of HSP90. | The compound with the SMILES Cc1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1 is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NC(=O)NCc1ccco1 is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NC(=O)NCc1ccco1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecular species with the SMILES COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1 is not an inhibitor of HSP90. | The molecular species with the SMILES COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1 is not an inhibitor of HSP90. | [] | null | |
The molecule with the SMILES CC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 is not an inhibitor of the heat shock protein 90. | The molecule with the SMILES CC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES CN(c1ccc(C(=O)NCc2ccccc2)cc1)S(C)(=O)=O is not an inhibitor of HSP90. | The chemical compound with the SMILES CN(c1ccc(C(=O)NCc2ccccc2)cc1)S(C)(=O)=O is not an inhibitor of HSP90. | [] | null | |
The compound with the SMILES CCOC(=O)C1CCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)CC1 is not an inhibitor of HSP90. | The compound with the SMILES CCOC(=O)C1CCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)CC1 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1CC is not an inhibitor of HSP90. | The chemical compound with the SMILES CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1CC is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES representation of O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1 is not an inhibitor of HSP90. | The chemical compound with the SMILES representation of O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES representation of CCOC(=O)CC(C#N)c1c[nH]c2ccccc12 is not an inhibitor of the heat shock protein 90. | The chemical with the SMILES representation of CCOC(=O)CC(C#N)c1c[nH]c2ccccc12 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 is not an inhibitor of the heat shock protein 90. | The molecule with the SMILES CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES representation of CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)N2CCCCC2)cc1 is not an inhibitor of HSP90. | The molecule with the SMILES representation of CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)N2CCCCC2)cc1 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES representation of Cc1cccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1C is not an inhibitor of HSP90. | The chemical with the SMILES representation of Cc1cccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1C is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 is not an inhibitor of HSP90. | The molecular species with the SMILES CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 is not an inhibitor of HSP90. | [] | null | |
The chemical with the SMILES representation of CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3ccccc3)[nH]c2[nH]1 is not an inhibitor of HSP90. | The chemical with the SMILES representation of CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3ccccc3)[nH]c2[nH]1 is not an inhibitor of HSP90. | [] | null | |
The chemical compound with the SMILES CCC(=O)Nc1c(C)nn(C(=O)CC)c1C is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES CCC(=O)Nc1c(C)nn(C(=O)CC)c1C is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES COC(=O)c1ccccc1NC(=O)Nc1nnc(N2CCCCC2C)s1 is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES COC(=O)c1ccccc1NC(=O)Nc1nnc(N2CCCCC2C)s1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The molecule with the SMILES representation of N#CC1=C(Nc2ccccc2)/C(=C/NCCN2CCOCC2)C=NC1=O is not an inhibitor of HSP90. | The molecule with the SMILES representation of N#CC1=C(Nc2ccccc2)/C(=C/NCCN2CCOCC2)C=NC1=O is not an inhibitor of HSP90. | [] | null | |
The molecular species with the SMILES representation of CCOc1cc(C2C(C(=O)c3ccccc3)=C(C(=O)OC)N=C3N=NNN32)ccc1O is not an inhibitor of the heat shock protein 90. | The molecular species with the SMILES representation of CCOc1cc(C2C(C(=O)c3ccccc3)=C(C(=O)OC)N=C3N=NNN32)ccc1O is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1 is not an inhibitor of the heat shock protein 90. | The chemical compound with the SMILES N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The compound with the SMILES representation of Cc1nc2c(=O)oc3ccccc3c2n1-c1ccccc1 is not an inhibitor of the heat shock protein 90. | The compound with the SMILES representation of Cc1nc2c(=O)oc3ccccc3c2n1-c1ccccc1 is not an inhibitor of the heat shock protein 90. | [] | null | |
The chemical compound with the SMILES CCC(NCCN1CCCCC1)=C1C(=O)N(C)C(=O)N(C)C1=O is not an inhibitor of HSP90. | The chemical compound with the SMILES CCC(NCCN1CCCCC1)=C1C(=O)N(C)C(=O)N(C)C1=O is not an inhibitor of HSP90. | [] | null |
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Dataset Details
Dataset Description
Activity in the MUV_712 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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