text stringlengths 72 171 | input stringlengths 72 171 | output stringclasses 1
value | answer_choices sequencelengths 0 0 | correct_output_index float64 |
|---|---|---|---|---|
The molecular species with the SMILES representation of O=C1/C(=C/NC2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1 is not an inhibitor of the protein kinase A (PKA). | The molecular species with the SMILES representation of O=C1/C(=C/NC2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecule 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 the protein kinase A. | The molecule 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 the protein kinase A. | [] | null | |
The compound with the SMILES CCn1cnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2Cc1ccccc1 is not an inhibitor of PKA. | The compound with the SMILES CCn1cnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2Cc1ccccc1 is not an inhibitor of PKA. | [] | null | |
The molecule with the SMILES representation of CN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 is not an inhibitor of PKA. | The molecule with the SMILES representation of CN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 is not an inhibitor of PKA. | [] | null | |
The chemical compound with the SMILES Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12 is not an inhibitor of the protein kinase A. | The chemical compound with the SMILES Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES representation of Cc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1 is not an inhibitor of PKA. | The chemical compound with the SMILES representation of Cc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES COc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1 is not an inhibitor of the protein kinase A. | The molecular species with the SMILES COc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1 is not an inhibitor of the protein kinase A. | [] | null | |
The molecule with the SMILES Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 is not an inhibitor of PKA. | The molecule with the SMILES Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES representation of CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O is not an inhibitor of the protein kinase A (PKA). | The molecular species with the SMILES representation of CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecular species with the SMILES Cc1ccc(S(=O)(=O)NC(=O)Nn2c(C)nnc2C)cc1 is not an inhibitor of PKA. | The molecular species with the SMILES Cc1ccc(S(=O)(=O)NC(=O)Nn2c(C)nnc2C)cc1 is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES CC(C)(C)n1nnnc1C(c1ccncc1)N1CCCCCC1 is not an inhibitor of the protein kinase A (PKA). | The compound with the SMILES CC(C)(C)n1nnnc1C(c1ccncc1)N1CCCCCC1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES CC1(C)CN=C(N2CCN(C3=NCC(C)(C)S3)CC2)S1 is not an inhibitor of PKA. | The chemical compound with the SMILES CC1(C)CN=C(N2CCN(C3=NCC(C)(C)S3)CC2)S1 is not an inhibitor of PKA. | [] | null | |
The chemical compound with the SMILES CC1=C(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)C2(CCCCC2)OC1=O is not an inhibitor of PKA. | The chemical compound with the SMILES CC1=C(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)C2(CCCCC2)OC1=O is not an inhibitor of PKA. | [] | null | |
The chemical with the SMILES CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3sccc3C)oc2C)CC1 is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3sccc3C)oc2C)CC1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecular species with the SMILES Cc1cccc2sc(NC(=O)Cn3cccc3)nc12 is not an inhibitor of the protein kinase A (PKA). | The molecular species with the SMILES Cc1cccc2sc(NC(=O)Cn3cccc3)nc12 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1 is not an inhibitor of the protein kinase A. | The chemical compound with the SMILES c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES representation of O=C(NCCc1ccccc1F)C1CSC2c3ccccc3C(=O)N12 is not an inhibitor of the protein kinase A. | The chemical compound with the SMILES representation of O=C(NCCc1ccccc1F)C1CSC2c3ccccc3C(=O)N12 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 is not an inhibitor of the protein kinase A (PKA). | The chemical compound with the SMILES COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical with the SMILES Cc1cc(-c2nnc3sc(C4CCCCC4)nn23)n[nH]1 is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES Cc1cc(-c2nnc3sc(C4CCCCC4)nn23)n[nH]1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES representation of CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 is not an inhibitor of PKA. | The chemical compound with the SMILES representation of CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 is not an inhibitor of PKA. | [] | null | |
The chemical compound with the SMILES representation of COc1cccc(NC(=O)N2CCOCC2)c1 is not an inhibitor of the protein kinase A (PKA). | The chemical compound with the SMILES representation of COc1cccc(NC(=O)N2CCOCC2)c1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecular species with the SMILES CCCCOc1ccc(-c2ncc(C(=O)OCC)c(N)n2)cc1 is not an inhibitor of the protein kinase A. | The molecular species with the SMILES CCCCOc1ccc(-c2ncc(C(=O)OCC)c(N)n2)cc1 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical with the SMILES O=C(Nc1cccnc1)c1cnn2c(C(F)F)cc(C3CC3)nc12 is not an inhibitor of PKA. | The chemical with the SMILES O=C(Nc1cccnc1)c1cnn2c(C(F)F)cc(C3CC3)nc12 is not an inhibitor of PKA. | [] | null | |
The molecule with the SMILES c1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1 is not an inhibitor of the protein kinase A (PKA). | The molecule with the SMILES c1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The compound with the SMILES O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccn1 is not an inhibitor of PKA. | The compound with the SMILES O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccn1 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES representation of NC(Cc1ccccc1)c1nnc2sc(SCc3ccccc3)nn12 is not an inhibitor of the protein kinase A (PKA). | The molecular species with the SMILES representation of NC(Cc1ccccc1)c1nnc2sc(SCc3ccccc3)nn12 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES COc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 is not an inhibitor of the protein kinase A (PKA). | The chemical compound with the SMILES COc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical with the SMILES representation of CCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2 is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES representation of CCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecule with the SMILES representation of CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1nccs1 is not an inhibitor of PKA. | The molecule with the SMILES representation of CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1nccs1 is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES representation of O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3o2)CC1 is not an inhibitor of the protein kinase A. | The compound with the SMILES representation of O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3o2)CC1 is not an inhibitor of the protein kinase A. | [] | null | |
The compound with the SMILES CCOC(=O)C1(Nc2nccs2)Sc2ccccc2NC1=O is not an inhibitor of the protein kinase A. | The compound with the SMILES CCOC(=O)C1(Nc2nccs2)Sc2ccccc2NC1=O is not an inhibitor of the protein kinase A. | [] | null | |
The molecular species with the SMILES representation of CCC1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O is not an inhibitor of PKA. | The molecular species with the SMILES representation of CCC1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O is not an inhibitor of PKA. | [] | null | |
The chemical with the SMILES CCC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1 is not an inhibitor of PKA. | The chemical with the SMILES CCC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1 is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES representation of CC(C)n1nc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c2ccccc2c1=O is not an inhibitor of the protein kinase A (PKA). | The compound with the SMILES representation of CC(C)n1nc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c2ccccc2c1=O is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecule with the SMILES CCC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C is not an inhibitor of the protein kinase A. | The molecule with the SMILES CCC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES N#CCCN1CCN(CCC#N)CC1 is not an inhibitor of PKA. | The chemical compound with the SMILES N#CCCN1CCN(CCC#N)CC1 is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 is not an inhibitor of PKA. | The compound with the SMILES CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 is not an inhibitor of PKA. | [] | null | |
The molecule with the SMILES representation of CCOC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O is not an inhibitor of the protein kinase A (PKA). | The molecule with the SMILES representation of CCOC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecular species with the SMILES representation of O=C(NCc1ccco1)Nc1cccs1 is not an inhibitor of the protein kinase A (PKA). | The molecular species with the SMILES representation of O=C(NCc1ccco1)Nc1cccs1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES Cn1c(=O)cc(OCCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 is not an inhibitor of the protein kinase A (PKA). | The chemical compound with the SMILES Cn1c(=O)cc(OCCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES representation of Cc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1S(=O)(=O)N1CCOCC1 is not an inhibitor of the protein kinase A. | The chemical compound with the SMILES representation of Cc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1S(=O)(=O)N1CCOCC1 is not an inhibitor of the protein kinase A. | [] | null | |
The molecular species with the SMILES O=C(CCn1c(=O)oc2ccccc21)N1CCOCC1 is not an inhibitor of the protein kinase A. | The molecular species with the SMILES O=C(CCn1c(=O)oc2ccccc21)N1CCOCC1 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical with the SMILES O=C(c1cnc2sccn2c1=O)N1CCCc2ccccc21 is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES O=C(c1cnc2sccn2c1=O)N1CCCc2ccccc21 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES representation of O=C(O)c1ccc2c(c1)ncn2C1CCCCCC1 is not an inhibitor of PKA. | The chemical compound with the SMILES representation of O=C(O)c1ccc2c(c1)ncn2C1CCCCCC1 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES representation of CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1 is not an inhibitor of PKA. | The molecular species with the SMILES representation of CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1 is not an inhibitor of PKA. | [] | null | |
The chemical with the SMILES representation of Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES representation of Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical with the SMILES CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N is not an inhibitor of PKA. | The chemical with the SMILES CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES COCCNC(=O)C(c1ccc(C)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1 is not an inhibitor of the protein kinase A (PKA). | The compound with the SMILES COCCNC(=O)C(c1ccc(C)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical with the SMILES c1ccc(-n2nnnc2Sc2n[nH]c(-c3ccncc3)n2)cc1 is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES c1ccc(-n2nnnc2Sc2n[nH]c(-c3ccncc3)n2)cc1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The compound with the SMILES representation of Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1 is not an inhibitor of the protein kinase A. | The compound with the SMILES representation of Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1 is not an inhibitor of the protein kinase A. | [] | null | |
The compound with the SMILES representation of Cn1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12 is not an inhibitor of PKA. | The compound with the SMILES representation of Cn1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES representation of COC(=O)c1c(C)noc1-c1cc(C)on1 is not an inhibitor of the protein kinase A. | The molecular species with the SMILES representation of COC(=O)c1c(C)noc1-c1cc(C)on1 is not an inhibitor of the protein kinase A. | [] | null | |
The molecular species with the SMILES N#CCCSCc1ccc(C(=O)O)o1 is not an inhibitor of PKA. | The molecular species with the SMILES N#CCCSCc1ccc(C(=O)O)o1 is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES representation of CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2Cc2ccccc2)cc1 is not an inhibitor of the protein kinase A. | The compound with the SMILES representation of CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2Cc2ccccc2)cc1 is not an inhibitor of the protein kinase A. | [] | null | |
The compound with the SMILES CC(C)Cn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21 is not an inhibitor of the protein kinase A (PKA). | The compound with the SMILES CC(C)Cn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecular species with the SMILES representation of O=C(Nc1ncnc2c1CCC2)C12CC3CC(CC(C3)C1)C2 is not an inhibitor of the protein kinase A. | The molecular species with the SMILES representation of O=C(Nc1ncnc2c1CCC2)C12CC3CC(CC(C3)C1)C2 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES representation of O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCCC1 is not an inhibitor of the protein kinase A. | The chemical compound with the SMILES representation of O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCCC1 is not an inhibitor of the protein kinase A. | [] | null | |
The molecular species with the SMILES representation of COc1ccccc1N(C(C)=O)C1SC(=O)N(c2ccccc2)C1=O is not an inhibitor of the protein kinase A (PKA). | The molecular species with the SMILES representation of COc1ccccc1N(C(C)=O)C1SC(=O)N(c2ccccc2)C1=O is not an inhibitor of the protein kinase A (PKA). | [] | 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 PKA. | The chemical with the SMILES CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES representation of CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O is not an inhibitor of the protein kinase A. | The molecular species with the SMILES representation of CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 is not an inhibitor of the protein kinase A. | The chemical compound with the SMILES CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical with the SMILES Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)O is not an inhibitor of the protein kinase A. | The chemical with the SMILES Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)O is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES representation of Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 is not an inhibitor of PKA. | The chemical compound with the SMILES representation of Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCC2CCCO2)c(C)c1 is not an inhibitor of the protein kinase A. | The molecular species with the SMILES Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCC2CCCO2)c(C)c1 is not an inhibitor of the protein kinase A. | [] | null | |
The molecule with the SMILES O=C(NCCc1ccccn1)C1CC(=O)N(Cc2ccccc2Cl)C1 is not an inhibitor of PKA. | The molecule with the SMILES O=C(NCCc1ccccn1)C1CC(=O)N(Cc2ccccc2Cl)C1 is not an inhibitor of PKA. | [] | null | |
The chemical compound with the SMILES O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1 is not an inhibitor of PKA. | The chemical compound with the SMILES O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1 is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1 is not an inhibitor of the protein kinase A (PKA). | The compound with the SMILES CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecule with the SMILES representation of O=C(NCCN1CCOCC1)c1ccc2c(c1)ncn2C1CCCCC1 is not an inhibitor of the protein kinase A. | The molecule with the SMILES representation of O=C(NCCN1CCOCC1)c1ccc2c(c1)ncn2C1CCCCC1 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES COc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl is not an inhibitor of PKA. | The chemical compound with the SMILES COc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES representation of Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 is not an inhibitor of the protein kinase A (PKA). | The compound with the SMILES representation of Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecular species with the SMILES CCCn1c(SCC(=O)NCC2CCCO2)nc2c1c(=O)n(C)c(=O)n2C is not an inhibitor of PKA. | The molecular species with the SMILES CCCn1c(SCC(=O)NCC2CCCO2)nc2c1c(=O)n(C)c(=O)n2C is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES representation of Cc1cnc(C(=O)Nc2ccc(N3CCOCC3)cc2)cn1 is not an inhibitor of the protein kinase A (PKA). | The compound with the SMILES representation of Cc1cnc(C(=O)Nc2ccc(N3CCOCC3)cc2)cn1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES representation of CN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1 is not an inhibitor of the protein kinase A (PKA). | The chemical compound with the SMILES representation of CN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecule with the SMILES COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1 is not an inhibitor of the protein kinase A (PKA). | The molecule with the SMILES COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecular species with the SMILES Cn1nc(C(=O)Nc2cccnc2)c2ccccc2c1=O is not an inhibitor of PKA. | The molecular species with the SMILES Cn1nc(C(=O)Nc2cccnc2)c2ccccc2c1=O is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES O=C(Nc1ccccc1)N1CCSCC1 is not an inhibitor of the protein kinase A. | The molecular species with the SMILES O=C(Nc1ccccc1)N1CCSCC1 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES representation of Cc1ccc(-c2noc(-c3cccs3)n2)cc1 is not an inhibitor of PKA. | The chemical compound with the SMILES representation of Cc1ccc(-c2noc(-c3cccs3)n2)cc1 is not an inhibitor of PKA. | [] | null | |
The chemical with the SMILES representation of O=C(CSc1nnnn1-c1ccccc1)c1cc2ccccc2oc1=O is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES representation of O=C(CSc1nnnn1-c1ccccc1)c1cc2ccccc2oc1=O is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The molecular species with the SMILES CSc1nc(N)nc(SCC(=O)c2ccccc2)c1C#N is not an inhibitor of the protein kinase A. | The molecular species with the SMILES CSc1nc(N)nc(SCC(=O)c2ccccc2)c1C#N is not an inhibitor of the protein kinase A. | [] | null | |
The chemical with the SMILES representation of Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1 is not an inhibitor of the protein kinase A. | The chemical with the SMILES representation of Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical compound with the SMILES representation of CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2 is not an inhibitor of the protein kinase A (PKA). | The chemical compound with the SMILES representation of CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical with the SMILES COc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1 is not an inhibitor of the protein kinase A. | The chemical with the SMILES COc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1 is not an inhibitor of the protein kinase A. | [] | null | |
The chemical with the SMILES representation of COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(F)c2)cc1 is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES representation of COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(F)c2)cc1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The compound with the SMILES Cc1cnn(C(=S)NCC2CCCO2)c1 is not an inhibitor of PKA. | The compound with the SMILES Cc1cnn(C(=S)NCC2CCCO2)c1 is not an inhibitor of PKA. | [] | null | |
The molecule with the SMILES representation of O=C1Nc2ccccc2OC1CC(=O)N1CCCC1 is not an inhibitor of the protein kinase A. | The molecule with the SMILES representation of O=C1Nc2ccccc2OC1CC(=O)N1CCCC1 is not an inhibitor of the protein kinase A. | [] | null | |
The molecular species with the SMILES COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl is not an inhibitor of the protein kinase A. | The molecular species with the SMILES COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl is not an inhibitor of the protein kinase A. | [] | null | |
The molecule with the SMILES representation of Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1F is not an inhibitor of the protein kinase A (PKA). | The molecule with the SMILES representation of Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1F is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical compound with the SMILES COc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 is not an inhibitor of PKA. | The chemical compound with the SMILES COc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES representation of COc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 is not an inhibitor of PKA. | The compound with the SMILES representation of COc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 is not an inhibitor of PKA. | [] | null | |
The compound with the SMILES COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)C3)cc1 is not an inhibitor of the protein kinase A. | The compound with the SMILES COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)C3)cc1 is not an inhibitor of the protein kinase A. | [] | null | |
The compound with the SMILES representation of Cc1ccc(OCC(=O)n2cnnc2N)c(C)c1 is not an inhibitor of PKA. | The compound with the SMILES representation of Cc1ccc(OCC(=O)n2cnnc2N)c(C)c1 is not an inhibitor of PKA. | [] | null | |
The chemical compound with the SMILES CC(=O)Nc1nnc(SCc2cccc(F)c2)s1 is not an inhibitor of the protein kinase A (PKA). | The chemical compound with the SMILES CC(=O)Nc1nnc(SCc2cccc(F)c2)s1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical with the SMILES CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C is not an inhibitor of PKA. | The chemical with the SMILES CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C is not an inhibitor of PKA. | [] | null | |
The molecule with the SMILES representation of Cc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)cc1 is not an inhibitor of PKA. | The molecule with the SMILES representation of Cc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)cc1 is not an inhibitor of PKA. | [] | null | |
The chemical with the SMILES Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 is not an inhibitor of PKA. | The chemical with the SMILES Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES Cc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1 is not an inhibitor of the protein kinase A. | The molecular species with the SMILES Cc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1 is not an inhibitor of the protein kinase A. | [] | null | |
The compound with the SMILES representation of CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(Cl)cc2)CO1 is not an inhibitor of PKA. | The compound with the SMILES representation of CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(Cl)cc2)CO1 is not an inhibitor of PKA. | [] | null | |
The molecular species with the SMILES representation of COc1ccc(C(=O)N2CCCC2=O)cc1 is not an inhibitor of the protein kinase A (PKA). | The molecular species with the SMILES representation of COc1ccc(C(=O)N2CCCC2=O)cc1 is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The compound with the SMILES representation of Cc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1=O is not an inhibitor of the protein kinase A (PKA). | The compound with the SMILES representation of Cc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1=O is not an inhibitor of the protein kinase A (PKA). | [] | null | |
The chemical with the SMILES representation of Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1 is not an inhibitor of the protein kinase A (PKA). | The chemical with the SMILES representation of Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1 is not an inhibitor of the protein kinase A (PKA). | [] | null |
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Dataset Details
Dataset Description
Activity in the MUV_548 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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