text stringlengths 89 175 | input stringlengths 89 175 | output stringclasses 1
value | answer_choices sequencelengths 0 0 | correct_output_index float64 |
|---|---|---|---|---|
The chemical with the SMILES representation of O=C(O)/C(=C\c1ccco1)NC(=O)c1cccc2ccccc12 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES representation of O=C(O)/C(=C\c1ccco1)NC(=O)c1cccc2ccccc12 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1cc2ccccc2oc1=O is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1cc2ccccc2oc1=O is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES CC1(C)NC(=O)N(CCOCCOc2ccccc2-c2ccccc2)C1=O is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES CC1(C)NC(=O)N(CCOCCOc2ccccc2-c2ccccc2)C1=O is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES CN1CCN(CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)CC1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES CN1CCN(CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)CC1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCCN1CCCC1=O is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCCN1CCCC1=O is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES representation of Cc1cccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1C is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES representation of Cc1cccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1C is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES Cc1cccc2cc(COC(=O)c3ccco3)c(=O)[nH]c12 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES Cc1cccc2cc(COC(=O)c3ccco3)c(=O)[nH]c12 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES representation of CC1=CC(=O)/C(=C(\C)NNC(=O)c2ccccc2[N+](=O)[O-])C(=O)O1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES representation of CC1=CC(=O)/C(=C(\C)NNC(=O)c2ccccc2[N+](=O)[O-])C(=O)O1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES representation of CCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccn2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES representation of CCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccn2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES representation of CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES representation of CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of CCOc1ccc(NC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of CCOc1ccc(NC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES O=C1C=C(NCCN2CCOCC2)CC(c2ccccc2)C1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES O=C1C=C(NCCN2CCOCC2)CC(c2ccccc2)C1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES representation of O=C(CCSc1nnc(-c2ccncc2)o1)Nc1cccc(Cl)c1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES representation of O=C(CCSc1nnc(-c2ccncc2)o1)Nc1cccc(Cl)c1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)N1CCCC1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)N1CCCC1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of O=C(NNc1ccccc1)C(=O)N1CCCCC1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of O=C(NNc1ccccc1)C(=O)N1CCCCC1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccccc1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccccc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES Cc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Br)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES Cc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Br)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES O=C(CCC1CCCCC1)NNC(=O)c1cnccn1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES O=C(CCC1CCCCC1)NNC(=O)c1cnccn1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES O=C(c1cccs1)N1CCC2(O)CCCCC2C1c1ccc(F)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES O=C(c1cccs1)N1CCC2(O)CCCCC2C1c1ccc(F)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of S=C(Nc1ccccc1)N1CCCCC1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of S=C(Nc1ccccc1)N1CCCCC1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES representation of Oc1ccc(CNc2ccccc2O)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES representation of Oc1ccc(CNc2ccccc2O)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of COc1ccc(NC(=O)COC(=O)c2ccncc2)c(OC)c1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of COc1ccc(NC(=O)COC(=O)c2ccncc2)c(OC)c1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES representation of CC(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES representation of CC(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES O=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES O=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES Cc1cc(C)c(C#N)c(Oc2ccccc2)n1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES Cc1cc(C)c(C#N)c(Oc2ccccc2)n1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES Cc1nc(Cl)c2c(n1)N(CC(N)=O)C(=O)CO2 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES Cc1nc(Cl)c2c(n1)N(CC(N)=O)C(=O)CO2 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of c1ccc(-n2nnnc2Sc2n[nH]c(-c3ccncc3)n2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of c1ccc(-n2nnnc2Sc2n[nH]c(-c3ccncc3)n2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES representation of O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES representation of O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES representation of Cc1occc1C(=O)N1CCCc2ccccc21 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES representation of Cc1occc1C(=O)N1CCCc2ccccc21 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES N=c1cc(C2(O)CCCCC2)n2c(nc3ccccc32)s1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES N=c1cc(C2(O)CCCCC2)n2c(nc3ccccc32)s1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES N#CCN1C(=O)C2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc21 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES N#CCN1C(=O)C2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc21 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES representation of COc1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES representation of COc1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES representation of CCOC(=O)CSc1nn(C)c(=S)s1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES representation of CCOC(=O)CSc1nn(C)c(=S)s1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CC(C)CC2 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CC(C)CC2 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES representation of O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccs1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES representation of O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccs1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES representation of COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES representation of COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES representation of CCCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES representation of CCCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of Cc1ccc(-c2noc(-c3cccs3)n2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of Cc1ccc(-c2noc(-c3cccs3)n2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES representation of CCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES representation of CCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES Cc1cc(C)nc(Oc2ccc([N+](=O)[O-])cc2)n1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES Cc1cc(C)nc(Oc2ccc([N+](=O)[O-])cc2)n1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES CC(C)C(NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES CC(C)C(NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES representation of CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES representation of CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES CN(C)/N=C/c1ccc(N2CCOCC2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES CN(C)/N=C/c1ccc(N2CCOCC2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of Cc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of Cc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES N/C(=N\N=C\c1ccc2c(c1)OCO2)SC1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES N/C(=N\N=C\c1ccc2c(c1)OCO2)SC1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of CN(C)c1ccc(/C=C(\Cl)c2nc3ccccc3s2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of CN(C)c1ccc(/C=C(\Cl)c2nc3ccccc3s2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of O=C(Nc1ccc2snnc2c1)Nc1cccc2ccccc12 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of O=C(Nc1ccc2snnc2c1)Nc1cccc2ccccc12 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES representation of O=C(CCCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O)NCCc1ccccc1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES representation of O=C(CCCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O)NCCc1ccccc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES Nc1cccc(Cl)c1N1CCOCC1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES Nc1cccc(Cl)c1N1CCOCC1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES Cc1cc(C)n(CC(=O)NC2CCCCC2)n1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES Cc1cc(C)n(CC(=O)NC2CCCCC2)n1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES COCCCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)c3ccccc3)cc2C1=O is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES COCCCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)c3ccccc3)cc2C1=O is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES representation of CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES representation of CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of N#CCCCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of N#CCCCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES COCCCNc1nc(-c2ccncc2)nc2ccccc12 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES COCCCNc1nc(-c2ccncc2)nc2ccccc12 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES COc1nc(C)ccc1-c1noc(-c2ccncc2)n1 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES COc1nc(C)ccc1-c1noc(-c2ccncc2)n1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES Cc1cccc(-c2nnc(SCC(=O)Nc3ccnn3C(C)C)n2C)c1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES Cc1cccc(-c2nnc(SCC(=O)Nc3ccnn3C(C)C)n2C)c1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3ccccc3)[nH]c2[nH]1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3ccccc3)[nH]c2[nH]1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES representation of O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES representation of O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of Clc1cccc(CSc2nnc(-c3sccc3-n3cccc3)o2)c1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of Clc1cccc(CSc2nnc(-c3sccc3-n3cccc3)o2)c1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of Cc1onc(-c2ccccc2)c1-c1nc2ccccc2c(=O)o1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of Cc1onc(-c2ccccc2)c1-c1nc2ccccc2c(=O)o1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of CC(C)CN(C(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O)C1CCS(=O)(=O)C1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of CC(C)CN(C(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O)C1CCS(=O)(=O)C1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2cccnc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2cccnc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of Cc1ccc(C(=O)OCc2cn(-c3ccccc3)nn2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of Cc1ccc(C(=O)OCc2cn(-c3ccccc3)nn2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES C/C(=N\NC(=O)c1nn(C)cc1Br)c1ccncc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES C/C(=N\NC(=O)c1nn(C)cc1Br)c1ccncc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES representation of O=C(OCCNC1=NS(=O)(=O)c2ccccc21)C1CC(=O)N(c2ccc3ccccc3c2)C1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES representation of O=C(OCCNC1=NS(=O)(=O)c2ccccc21)C1CC(=O)N(c2ccc3ccccc3c2)C1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)nc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)nc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of CCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of CCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES CCC(C)N(C(=O)CSc1ccc(NC(C)=O)cc1)C1CCS(=O)(=O)C1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES CCC(C)N(C(=O)CSc1ccc(NC(C)=O)cc1)C1CCS(=O)(=O)C1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES CC(=O)c1ccc(NC(=S)NCCc2ccc(F)cc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES CC(=O)c1ccc(NC(=S)NCCc2ccc(F)cc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES O=C(Nc1ccc(Br)cn1)c1ccc([N+](=O)[O-])o1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES O=C(Nc1ccc(Br)cn1)c1ccc([N+](=O)[O-])o1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES CCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES CCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES Cc1ccc(-c2nc(C)sc2CC(=O)O)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES Cc1ccc(-c2nc(C)sc2CC(=O)O)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES Cc1ccc(N2C(=O)CSC2c2cccnc2)cc1F is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES Cc1ccc(N2C(=O)CSC2c2cccnc2)cc1F is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES CC(=O)Oc1cc2c(C(=O)NCCN3CCOCC3)c(C)oc2c2ccccc12 is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES CC(=O)Oc1cc2c(C(=O)NCCN3CCOCC3)c(C)oc2c2ccccc12 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1OC is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1OC is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C)n2)c1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C)n2)c1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES representation of Cc1c(C=O)c2ccccc2n1Cc1ccc(F)cc1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES representation of Cc1c(C=O)c2ccccc2n1Cc1ccc(F)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES representation of C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cnccn1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES representation of C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cnccn1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES CCCCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES CCCCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES Cc1sc(NC(=O)c2cccs2)nc1-c1ccccc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES Cc1sc(NC(=O)c2cccs2)nc1-c1ccccc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecule with the SMILES CCC(=O)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 is not an inhibitor of factor XIIa (FXIIa). | The molecule with the SMILES CCC(=O)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES Nc1cc(=O)nc(SCc2nnc(-c3ccccc3)o2)[nH]1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES Nc1cc(=O)nc(SCc2nnc(-c3ccccc3)o2)[nH]1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The molecular species with the SMILES representation of O=C(Nc1ccccc1N1CCOCC1)c1cccnc1Cl is not an inhibitor of factor XIIa (FXIIa). | The molecular species with the SMILES representation of O=C(Nc1ccccc1N1CCOCC1)c1cccnc1Cl is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The compound with the SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The compound with the SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical compound with the SMILES representation of Cc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical compound with the SMILES representation of Cc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null | |
The chemical with the SMILES Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)O)cc1 is not an inhibitor of factor XIIa (FXIIa). | The chemical with the SMILES Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)O)cc1 is not an inhibitor of factor XIIa (FXIIa). | [] | null |
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Dataset Details
Dataset Description
Activity in the MUV_852 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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