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SMILES_ORIGINAL
string | MUV-846
int64 | SMILES
string | IMAGE
image | SELFIES
string | InChIKey
string | IUPAC
string | template_original
string | template
string |
|---|---|---|---|---|---|---|---|---|
CCOC(=O)C1(Cc2ccc(O)cc2)NC(c2ccco2)C2C(=O)N(c3ccccc3F)C(=O)C21 | 0 | CCOC(=O)C1(Cc2ccc(O)cc2)NC(c2ccco2)C2C(=O)N(c3ccccc3F)C(=O)C21 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Ring1][=C][Ring2][Ring1][=C] | BXGQZRQQVFJAKT-UHFFFAOYSA-N | ethyl 5-(2-fluorophenyl)-1-(furan-2-yl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of CCOC(=O)C1(Cc2ccc(O)cc2)NC(c2ccco2)C2C(=O)N(c3ccccc3F)C(=O)C21 is not an inhibitor of factor XIa (FXIa). |
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S=C(c1ccccc1)N1CCCc2ccccc21 | 0 | S=C(c1ccccc1)N1CCCc2ccccc21 | [S][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | ZAIUUIORXFJXRF-UHFFFAOYSA-N | 3,4-dihydro-2H-quinolin-1-yl(phenyl)methanethione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES representation of S=C(c1ccccc1)N1CCCc2ccccc21 is not an inhibitor of factor XIa (FXIa). |
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Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1 | 0 | Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1 | [C][C][=C][C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | FLDPNZDDXLRGPI-UHFFFAOYSA-N | (4,7-dimethyl-2-oxochromen-5-yl) furan-2-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1 is not an inhibitor of factor XIa (FXIa). |
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O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] | 0 | O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] | [O][=C][Branch1][N][C][S][C][=C][C][=C][C][=N+1][Ring1][=Branch1][O-1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1] | CLUNZLMEORKZJD-UHFFFAOYSA-N | N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] is not an inhibitor of factor XIa (FXIa). |
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CC1(C)NC(=O)N(CCOCCOc2ccccc2-c2ccccc2)C1=O | 0 | CC1(C)NC(=O)N(CCOCCOc2ccccc2-c2ccccc2)C1=O | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=O] | FHUMOWPQDTXVKJ-UHFFFAOYSA-N | 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of CC1(C)NC(=O)N(CCOCCOc2ccccc2-c2ccccc2)C1=O is not an inhibitor of factor XIa (FXIa). |
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CCc1ccc(/C=N/NC(=O)c2ccc(Br)o2)s1 | 0 | CCc1ccc(/C=N/NC(=O)c2ccc(Br)o2)s1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][S][Ring1][S] | ZDJVOYNPEDHNIE-VGOFMYFVSA-N | 5-bromo-N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]furan-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of CCc1ccc(/C=N/NC(=O)c2ccc(Br)o2)s1 is not an inhibitor of factor XIa (FXIa). |
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O=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1 | 0 | O=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1 | [O][=C][C][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | BPJBGGYFMIDYPX-UHFFFAOYSA-N | 3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of O=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1 is not an inhibitor of factor XIa (FXIa). |
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COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1 | 0 | COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][Branch1][P][N][N][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S] | JZTIJKABPVWTFJ-UHFFFAOYSA-N | methyl 2-[[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]amino]benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1 is not an inhibitor of factor XIa (FXIa). |
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CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2 | 0 | CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2 | [C][C][C][C][=N][N][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring1][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1] | JEDIBJWOEOQXHT-UHFFFAOYSA-N | 1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 | 0 | Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] | UZVMRUKQFMWJNQ-UHFFFAOYSA-N | N-[4-(tert-butylsulfamoyl)phenyl]-4-methylbenzenesulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 is not an inhibitor of factor XIa (FXIa). |
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OCc1ccccc1OCCOc1ccc(Cl)c2cccnc12 | 0 | OCc1ccccc1OCCOc1ccc(Cl)c2cccnc12 | [O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | SAILURCVVULXSY-UHFFFAOYSA-N | [2-[2-(5-chloroquinolin-8-yl)oxyethoxy]phenyl]methanol | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of OCc1ccccc1OCCOc1ccc(Cl)c2cccnc12 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc(C)c(SCC(=O)Nc2cccnc2Cl)c1 | 0 | Cc1ccc(C)c(SCC(=O)Nc2cccnc2Cl)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Ring1] | WPFUGLKOKWASBZ-UHFFFAOYSA-N | N-(2-chloropyridin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES Cc1ccc(C)c(SCC(=O)Nc2cccnc2Cl)c1 is not an inhibitor of factor XIa (FXIa). |
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CNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N | 0 | CNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N | [C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N] | BXCYHNBEQARRGY-UHFFFAOYSA-N | 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES CNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N is not an inhibitor of factor XIa (FXIa). |
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O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 | 0 | O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C] | RQBMFILNDZEEPZ-UHFFFAOYSA-N | 4-bromo-3-pyrrolidin-1-ylsulfonylbenzoic acid | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 is not an inhibitor of factor XIa (FXIa). |
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O=C(Nc1nonc1NC(=O)c1cccs1)c1cccs1 | 0 | O=C(Nc1nonc1NC(=O)c1cccs1)c1cccs1 | [O][=C][Branch2][Ring1][Branch1][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | AHRBKBXOQPIVAV-UHFFFAOYSA-N | N-[4-(thiophene-2-carbonylamino)-1,2,5-oxadiazol-3-yl]thiophene-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES O=C(Nc1nonc1NC(=O)c1cccs1)c1cccs1 is not an inhibitor of factor XIa (FXIa). |
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CN1CCN(c2cn[nH]c(=O)c2Cl)CC1 | 0 | CN1CCN(c2cn[nH]c(=O)c2Cl)CC1 | [C][N][C][C][N][Branch1][=N][C][C][=N][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][Cl][C][C][Ring1][=C] | IIBKADIDGYNEAI-UHFFFAOYSA-N | 5-chloro-4-(4-methylpiperazin-1-yl)-1H-pyridazin-6-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of CN1CCN(c2cn[nH]c(=O)c2Cl)CC1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc(S(=O)(=O)c2nc(NC3CCS(=O)(=O)C3)sc2Cl)cc1 | 0 | Cc1ccc(S(=O)(=O)c2nc(NC3CCS(=O)(=O)C3)sc2Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][N][=C][Branch1][#C][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][S][C][=Ring1][=N][Cl][C][=C][Ring2][Ring1][#Branch1] | VZSFYRBKVWBEFH-UHFFFAOYSA-N | 5-chloro-N-(1,1-dioxothiolan-3-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of Cc1ccc(S(=O)(=O)c2nc(NC3CCS(=O)(=O)C3)sc2Cl)cc1 is not an inhibitor of factor XIa (FXIa). |
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CCc1ccc(NC(=O)Cn2cccc2)cc1 | 0 | CCc1ccc(NC(=O)Cn2cccc2)cc1 | [C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][#C] | SEJYMJHUTOFAOL-UHFFFAOYSA-N | N-(4-ethylphenyl)-2-pyrrol-1-ylacetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of CCc1ccc(NC(=O)Cn2cccc2)cc1 is not an inhibitor of factor XIa (FXIa). |
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O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)N1CCc2ccccc21 | 0 | O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][S][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | HOCGKJUXXNLXLY-UHFFFAOYSA-N | 4-chloro-N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]benzenesulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)N1CCc2ccccc21 is not an inhibitor of factor XIa (FXIa). |
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C=C(C)COc1ccc2oc(C)c(C(=O)OCCOC)c2c1 | 0 | C=C(C)COc1ccc2oc(C)c(C(=O)OCCOC)c2c1 | [C][=C][Branch1][C][C][C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][O][C][C][O][C][C][Ring1][=N][=C][Ring1][P] | KJQZSKKHQUTQOK-UHFFFAOYSA-N | 2-methoxyethyl 2-methyl-5-(2-methylprop-2-enoxy)-1-benzofuran-3-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of C=C(C)COc1ccc2oc(C)c(C(=O)OCCOC)c2c1 is not an inhibitor of factor XIa (FXIa). |
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CC1CCc2sc(C(=O)NCc3ccc(F)cc3)cc2C1 | 0 | CC1CCc2sc(C(=O)NCc3ccc(F)cc3)cc2C1 | [C][C][C][C][C][S][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=Ring1][S][C][Ring2][Ring1][Ring2] | ICAJRBVZZPDEHB-UHFFFAOYSA-N | N-[(4-fluorophenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES CC1CCc2sc(C(=O)NCc3ccc(F)cc3)cc2C1 is not an inhibitor of factor XIa (FXIa). |
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O=C(Oc1ccc2ccc(OC(=O)N3CCCCCC3)cc2c1)N1CCCCCC1 | 0 | O=C(Oc1ccc2ccc(OC(=O)N3CCCCCC3)cc2c1)N1CCCCCC1 | [O][=C][Branch2][Ring1][P][O][C][=C][C][=C][C][=C][C][Branch1][#C][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][N][C][C][C][C][C][C][Ring1][#Branch1] | ILORRXQSJWXAKL-UHFFFAOYSA-N | [7-(azepane-1-carbonyloxy)naphthalen-2-yl] azepane-1-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES O=C(Oc1ccc2ccc(OC(=O)N3CCCCCC3)cc2c1)N1CCCCCC1 is not an inhibitor of factor XIa (FXIa). |
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O=C(O)c1ccc2c3c(cccc13)C(=O)N(c1cccc3ccccc13)C2=O | 0 | O=C(O)c1ccc2c3c(cccc13)C(=O)N(c1cccc3ccccc13)C2=O | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | IKTBREVPKAFFFM-UHFFFAOYSA-N | 2-naphthalen-1-yl-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of O=C(O)c1ccc2c3c(cccc13)C(=O)N(c1cccc3ccccc13)C2=O is not an inhibitor of factor XIa (FXIa). |
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O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 | 0 | O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | NJWNORNAZVOXLX-UHFFFAOYSA-N | 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 is not an inhibitor of factor XIa (FXIa). |
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O=C1NCC(COc2ccc(Cl)cc2)O1 | 0 | O=C1NCC(COc2ccc(Cl)cc2)O1 | [O][=C][N][C][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=C] | IKRAQGBWVLSVKL-UHFFFAOYSA-N | 5-[(4-chlorophenoxy)methyl]-1,3-oxazolidin-2-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of O=C1NCC(COc2ccc(Cl)cc2)O1 is not an inhibitor of factor XIa (FXIa). |
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Cc1cc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)no1 | 0 | Cc1cc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)no1 | [C][C][=C][C][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][C][Branch2][Ring2][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch2][=O][=N][O][Ring2][Ring1][#C] | UIIIMVJCKKJPCH-UHFFFAOYSA-N | 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES Cc1cc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)no1 is not an inhibitor of factor XIa (FXIa). |
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Oc1ccc(CNc2ccccc2O)cc1 | 0 | Oc1ccc(CNc2ccccc2O)cc1 | [O][C][=C][C][=C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][#C] | CUXRKYKPFBCCMM-UHFFFAOYSA-N | 2-[(4-hydroxyphenyl)methylamino]phenol | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of Oc1ccc(CNc2ccccc2O)cc1 is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1 | 0 | COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][S][Ring1][P][C][=C][Ring2][Ring1][Branch2] | NTXBDULODNTCKP-UHFFFAOYSA-N | 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1 is not an inhibitor of factor XIa (FXIa). |
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CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 | 0 | CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Branch2] | NKFHEYQYIIFEGW-UHFFFAOYSA-N | N-(9-ethylcarbazol-3-yl)-4-methylbenzenesulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 is not an inhibitor of factor XIa (FXIa). |
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NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3 | 0 | NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3 | [N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=Branch1][Branch2][=C][Ring1][N][C][=Ring1][#C][N][C][C][C][C][Ring1][=Branch2] | IDNOXGMSHPHHRF-UHFFFAOYSA-N | 1-amino-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3 is not an inhibitor of factor XIa (FXIa). |
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C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N/c1nccs1 | 0 | C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N/c1nccs1 | [C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Ring1][=C][/C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][S][/C][Ring2][Ring1][C][=N][/C][=N][C][=C][S][Ring1][Branch1] | NAGQYDSHPWHPLC-JGPYXXRJSA-N | 2-[4-[(Z)-[(2E)-4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N/c1nccs1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 | 0 | Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | ALXPYDHLXBGYHF-UHFFFAOYSA-N | N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 | 0 | COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][/C][=C][/N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | NNCMFPVWGUDKSC-CMDGGOBGSA-N | (E)-1-(2,4-dimethoxyphenyl)-3-(2-methyl-4-nitroanilino)prop-2-en-1-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 is not an inhibitor of factor XIa (FXIa). |
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Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C | 0 | Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C | [C][C][S][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring1][#Branch1][C] | HGIVTQHWIGAJIC-UHFFFAOYSA-N | N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C is not an inhibitor of factor XIa (FXIa). |
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Cc1nc(SCC(=O)NC(C)c2ccccc2)c2oc3ccccc3c2n1 | 0 | Cc1nc(SCC(=O)NC(C)c2ccccc2)c2oc3ccccc3c2n1 | [C][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2] | JAZZOTFNXSRTMI-UHFFFAOYSA-N | 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1-phenylethyl)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of Cc1nc(SCC(=O)NC(C)c2ccccc2)c2oc3ccccc3c2n1 is not an inhibitor of factor XIa (FXIa). |
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CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N | 0 | CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N | [C][C][O][C][=Branch1][C][=O][C][S][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][=C][N] | FBUJSKXPEAGQDF-UHFFFAOYSA-N | ethyl 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(N2CCN(C(=O)c3ccc(Cn4c(=S)[nH]c5ccc(N6CCOCC6)cc5c4=O)cc3)CC2)cc1 | 0 | COc1ccc(N2CCN(C(=O)c3ccc(Cn4c(=S)[nH]c5ccc(N6CCOCC6)cc5c4=O)cc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][N][C][C][N][Branch2][Ring2][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=S][NH1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1] | WWJXIRHHDMTYSC-UHFFFAOYSA-N | 3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES COc1ccc(N2CCN(C(=O)c3ccc(Cn4c(=S)[nH]c5ccc(N6CCOCC6)cc5c4=O)cc3)CC2)cc1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 | 0 | Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] | PVEOWTQKISAPJC-UHFFFAOYSA-N | N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 is not an inhibitor of factor XIa (FXIa). |
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O=C(Nc1cccc(C(F)(F)F)c1)c1ccco1 | 0 | O=C(Nc1cccc(C(F)(F)F)c1)c1ccco1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] | QARNMUZWJBKPSJ-UHFFFAOYSA-N | N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of O=C(Nc1cccc(C(F)(F)F)c1)c1ccco1 is not an inhibitor of factor XIa (FXIa). |
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COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OCO2 | 0 | COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OCO2 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | PGXXASGVJSODES-UHFFFAOYSA-N | N-(1,3-benzodioxol-5-yl)-2-methoxy-4-methylsulfanylbenzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OCO2 is not an inhibitor of factor XIa (FXIa). |
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CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 | 0 | CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 | [C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N] | JBKPQULYTPAMHX-UHFFFAOYSA-N | 2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 is not an inhibitor of factor XIa (FXIa). |
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CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1 | 0 | CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | DHMQQUVGZPYAOA-UHFFFAOYSA-N | [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc2cccc(O)c2[n+]1[O-] | 0 | Cc1ccc2cccc(O)c2[n+]1[O-] | [C][C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][Ring1][#Branch1][=N+1][Ring1][O][O-1] | HFRZWXVRWSIHNU-UHFFFAOYSA-N | 2-methyl-1-oxidoquinolin-1-ium-8-ol | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES Cc1ccc2cccc(O)c2[n+]1[O-] is not an inhibitor of factor XIa (FXIa). |
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Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C | 0 | Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C | [C][C][=C][C][Branch2][Ring1][=C][/C][=C][\C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C][=O][=C][Branch1][C][C][N][Ring2][Ring1][#Branch1][C] | XZQPGSMFRVHRTM-OQLLNIDSSA-N | (5E)-1-(4-chlorophenyl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C is not an inhibitor of factor XIa (FXIa). |
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CCOc1ccc(C2CC(c3cccc(C)c3)N3NC(N)=NC3=N2)cc1 | 0 | CCOc1ccc(C2CC(c3cccc(C)c3)N3NC(N)=NC3=N2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][N][C][Branch1][C][N][=N][C][Ring1][=Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | KONGIACDDMCELK-UHFFFAOYSA-N | 5-(4-ethoxyphenyl)-7-(3-methylphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES CCOc1ccc(C2CC(c3cccc(C)c3)N3NC(N)=NC3=N2)cc1 is not an inhibitor of factor XIa (FXIa). |
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O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccs1 | 0 | O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccs1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | RVYKLUWAUOHVNV-UHFFFAOYSA-N | N-[(2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccs1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 | 0 | Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 | [C][C][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | KHDOYHMYMFOYMM-UHFFFAOYSA-N | N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 is not an inhibitor of factor XIa (FXIa). |
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NC(=O)c1ccccc1NC(=O)/C=C/c1cccc(Cl)c1 | 0 | NC(=O)c1ccccc1NC(=O)/C=C/c1cccc(Cl)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | CAUYFTWEVAYJMY-CMDGGOBGSA-N | 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]benzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of NC(=O)c1ccccc1NC(=O)/C=C/c1cccc(Cl)c1 is not an inhibitor of factor XIa (FXIa). |
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CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 | 0 | CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][=N][=C][Ring1][P] | WOUSKEGPVJGDDQ-UHFFFAOYSA-N | ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 is not an inhibitor of factor XIa (FXIa). |
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O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1 | 0 | O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | GHCDTRBRFKWWAG-UHFFFAOYSA-N | N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1 is not an inhibitor of factor XIa (FXIa). |
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CCCOC1OC(=O)c2c1ccc(OC)c2OC | 0 | CCCOC1OC(=O)c2c1ccc(OC)c2OC | [C][C][C][O][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C] | DYBVVSHEQOSTBT-UHFFFAOYSA-N | 6,7-dimethoxy-3-propoxy-3H-2-benzofuran-1-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES representation of CCCOC1OC(=O)c2c1ccc(OC)c2OC is not an inhibitor of factor XIa (FXIa). |
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O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC1CC1 | 0 | O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC1CC1 | [O][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br][N][C][C][C][Ring1][Ring1] | CNXAOEHBFALPJE-UHFFFAOYSA-N | [2-(cyclopropylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC1CC1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 | 0 | Cc1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] | LPVLSFKOPZRUBW-UHFFFAOYSA-N | N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of Cc1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC | 0 | COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2][O][C] | BHYVNMFOXJCMMI-UHFFFAOYSA-N | 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES representation of COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3C)c(=O)[nH]c2c1 | 0 | Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3C)c(=O)[nH]c2c1 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] | HERBSDRNILRYIV-UHFFFAOYSA-N | N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)furan-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3C)c(=O)[nH]c2c1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc2occ(C(=O)c3ccco3)c(=O)c2c1 | 0 | Cc1ccc2occ(C(=O)c3ccco3)c(=O)c2c1 | [C][C][=C][C][=C][O][C][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C] | ISBRYCIGIFKFLH-UHFFFAOYSA-N | 3-(furan-2-carbonyl)-6-methylchromen-4-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of Cc1ccc2occ(C(=O)c3ccco3)c(=O)c2c1 is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(CC(C(=O)Nc2cc(C)ccc2C)/C(N)=N/O)cc1 | 0 | COc1ccc(CC(C(=O)Nc2cc(C)ccc2C)/C(N)=N/O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][/C][Branch1][C][N][=N][/O][C][=C][Ring2][Ring1][#Branch1] | IMIFGBFCEGDUMY-UHFFFAOYSA-N | (3Z)-3-amino-N-(2,5-dimethylphenyl)-3-hydroxyimino-2-[(4-methoxyphenyl)methyl]propanamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES COc1ccc(CC(C(=O)Nc2cc(C)ccc2C)/C(N)=N/O)cc1 is not an inhibitor of factor XIa (FXIa). |
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Cc1cc(N2CCCCC2)nc(SCC(=O)c2ccccc2)n1 | 0 | Cc1cc(N2CCCCC2)nc(SCC(=O)c2ccccc2)n1 | [C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | FRSAVKSSBUBMDE-UHFFFAOYSA-N | 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES representation of Cc1cc(N2CCCCC2)nc(SCC(=O)c2ccccc2)n1 is not an inhibitor of factor XIa (FXIa). |
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CC(C)(C)c1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 | 0 | CC(C)(C)c1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][C] | CKFZJVVVHWHWFB-UHFFFAOYSA-N | 6-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES representation of CC(C)(C)c1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 is not an inhibitor of factor XIa (FXIa). |
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O=C(O)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCCO3)c2)cc1 | 0 | O=C(O)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCCO3)c2)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | PCZRIWQYMATSJL-UHFFFAOYSA-N | 4-[[3-(oxolane-2-carbonylamino)phenyl]carbamoyl]benzoic acid | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of O=C(O)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCCO3)c2)cc1 is not an inhibitor of factor XIa (FXIa). |
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CCOc1ccc2ccccc2c1CNc1nnnn1CC | 0 | CCOc1ccc2ccccc2c1CNc1nnnn1CC | [C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][N][C][=N][N][=N][N][Ring1][Branch1][C][C] | SJWBENCOSDXLRK-UHFFFAOYSA-N | N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of CCOc1ccc2ccccc2c1CNc1nnnn1CC is not an inhibitor of factor XIa (FXIa). |
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Cc1cc(Cl)ccc1OCC(=O)N1C(C)CCCC1C | 0 | Cc1cc(Cl)ccc1OCC(=O)N1C(C)CCCC1C | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C] | YWNLOMZLBCZQCV-UHFFFAOYSA-N | 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES Cc1cc(Cl)ccc1OCC(=O)N1C(C)CCCC1C is not an inhibitor of factor XIa (FXIa). |
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CCn1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1 | 0 | CCn1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][#Branch1][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][Ring2] | LVVGLUPSWGBGED-FRKPEAEDSA-N | N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of CCn1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1 is not an inhibitor of factor XIa (FXIa). |
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O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccco1 | 0 | O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccco1 | [O][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][/C][Ring1][N][=C][\C][=C][\C][=C][C][=C][O][Ring1][Branch1] | BFUPUTNYJMGQRD-NQDFZQDQSA-N | (4Z)-2-(4-chlorophenyl)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-oxazol-5-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccco1 is not an inhibitor of factor XIa (FXIa). |
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CCOC(=O)N/N=C(C)/C=C/c1ccco1 | 0 | CCOC(=O)N/N=C(C)/C=C/c1ccco1 | [C][C][O][C][=Branch1][C][=O][N][/N][=C][Branch1][C][C][/C][=C][/C][=C][C][=C][O][Ring1][Branch1] | STYOCFLWPBFMME-ZICOIJLXSA-N | ethyl N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]carbamate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of CCOC(=O)N/N=C(C)/C=C/c1ccco1 is not an inhibitor of factor XIa (FXIa). |
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Cc1cccc(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1 | 0 | Cc1cccc(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][N] | YOGXUKYSBOLFEJ-UHFFFAOYSA-N | N-[2-(3-methylphenyl)ethyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES Cc1cccc(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1 is not an inhibitor of factor XIa (FXIa). |
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COc1cc2ncnc(NCc3ccccc3)c2cc1OC | 0 | COc1cc2ncnc(NCc3ccccc3)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C] | FVWVAEZYXLGVIV-UHFFFAOYSA-N | N-benzyl-6,7-dimethoxyquinazolin-4-amine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES COc1cc2ncnc(NCc3ccccc3)c2cc1OC is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(OC(=O)COc2ccc(C)cc2)cc1 | 0 | COc1ccc(OC(=O)COc2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | LMKUXAOGDUSSHD-UHFFFAOYSA-N | (4-methoxyphenyl) 2-(4-methylphenoxy)acetate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES COc1ccc(OC(=O)COc2ccc(C)cc2)cc1 is not an inhibitor of factor XIa (FXIa). |
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COc1cc(OC)c(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1Cl | 0 | COc1cc(OC)c(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][O][N][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][=Branch1][Cl] | AFQKCAKHRSIRMH-UHFFFAOYSA-N | 3-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES COc1cc(OC)c(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1Cl is not an inhibitor of factor XIa (FXIa). |
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Nc1cccc(Cl)c1N1CCOCC1 | 0 | Nc1cccc(Cl)c1N1CCOCC1 | [N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | LEQGHOHIHNAMCC-UHFFFAOYSA-N | 3-chloro-2-morpholin-4-ylaniline | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES Nc1cccc(Cl)c1N1CCOCC1 is not an inhibitor of factor XIa (FXIa). |
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O=C1c2ccccc2C(=O)N1CSc1nnc(Nc2ccccc2)s1 | 0 | O=C1c2ccccc2C(=O)N1CSc1nnc(Nc2ccccc2)s1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][S][C][=N][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N] | TYSLCUFVJVGIDQ-UHFFFAOYSA-N | 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES O=C1c2ccccc2C(=O)N1CSc1nnc(Nc2ccccc2)s1 is not an inhibitor of factor XIa (FXIa). |
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NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O | 0 | NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O] | GXTNYCWWOWHQDO-UHFFFAOYSA-N | 1-[(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O is not an inhibitor of factor XIa (FXIa). |
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Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1 | 0 | Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1 | [C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][P][Ring1][#Branch1][=N][O][Ring2][Ring1][=Branch2] | PIDNBKLJZIQIGV-UHFFFAOYSA-N | 8-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1 is not an inhibitor of factor XIa (FXIa). |
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CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1 | 0 | CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1] | QOMPBGZWCOOVFK-UHFFFAOYSA-N | N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1 is not an inhibitor of factor XIa (FXIa). |
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Cc1c(NC(=S)SCc2ccccc2)c(=O)n(-c2ccccc2)n1C | 0 | Cc1c(NC(=S)SCc2ccccc2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][S][N][C][=Branch1][C][=S][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1][C] | JYDPDUVSRPQFGM-UHFFFAOYSA-N | benzyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of Cc1c(NC(=S)SCc2ccccc2)c(=O)n(-c2ccccc2)n1C is not an inhibitor of factor XIa (FXIa). |
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O=C(COc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 | 0 | O=C(COc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 | [O][=C][Branch1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | CWNSCZIWIVJSHW-UHFFFAOYSA-N | 1-(4-benzylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES representation of O=C(COc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 is not an inhibitor of factor XIa (FXIa). |
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Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] | 0 | Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][C][N+1][=Branch1][C][=O][O-1] | VLXJGBPUASSWDX-UHFFFAOYSA-N | 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-2-nitrophenyl)methanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] is not an inhibitor of factor XIa (FXIa). |
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CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)C1 | 0 | CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)C1 | [C][C][C][C][C][N][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=N] | WNUYQICYSXCZNW-UHFFFAOYSA-N | 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)C1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c2ccccc2)cc1 | 0 | Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Branch1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring1][P][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][O][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1] | NNLCQIISQBEMGB-UHFFFAOYSA-N | [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES representation of Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c2ccccc2)cc1 is not an inhibitor of factor XIa (FXIa). |
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Cc1nnc(SCCN2CCOCC2)c2nn(-c3ccccc3F)c(C)c12 | 0 | Cc1nnc(SCCN2CCOCC2)c2nn(-c3ccccc3F)c(C)c12 | [C][C][=N][N][=C][Branch1][N][S][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2][Ring1][=N] | CZTYNKFSRSTALT-UHFFFAOYSA-N | 4-[2-[2-(2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylethyl]morpholine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES Cc1nnc(SCCN2CCOCC2)c2nn(-c3ccccc3F)c(C)c12 is not an inhibitor of factor XIa (FXIa). |
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CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)on1 | 0 | CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)on1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][N][C][O][N][=Ring2][Ring1][#Branch1] | UKUQIMQQLOIUKG-UHFFFAOYSA-N | 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)on1 is not an inhibitor of factor XIa (FXIa). |
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COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CC3Sc4ccccc4NC3=O)c2C)cc1 | 0 | COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CC3Sc4ccccc4NC3=O)c2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][Branch1][C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Branch2][C][C][=C][Ring2][Ring1][#C] | DSRPMKKQDHXERE-UHFFFAOYSA-N | methyl 4-[2,5-dimethyl-3-[2-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]oxyacetyl]pyrrol-1-yl]benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CC3Sc4ccccc4NC3=O)c2C)cc1 is not an inhibitor of factor XIa (FXIa). |
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Cc1sc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c(C#N)c1C | 0 | Cc1sc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c(C#N)c1C | [C][C][S][C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=C][C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=S][N][C][Ring1][=Branch1][=O][=C][Ring1][=C][C][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring1][=Branch1][C] | ASJASRUWLZUSCV-NSIKDUERSA-N | 2-[2,5-dimethyl-3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of Cc1sc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c(C#N)c1C is not an inhibitor of factor XIa (FXIa). |
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CCS(=O)(=O)N1CCN(c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1 | 0 | CCS(=O)(=O)N1CCN(c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][N] | DRGGAPRTRQLDIS-UHFFFAOYSA-N | N-(1-adamantyl)-4-(4-ethylsulfonylpiperazin-1-yl)-3-nitrobenzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of CCS(=O)(=O)N1CCN(c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1 is not an inhibitor of factor XIa (FXIa). |
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Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1 | 0 | Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Branch1][Ring1][C][#N][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][=Branch2] | DBAUJOKFSLRHRA-UHFFFAOYSA-N | 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1 is not an inhibitor of factor XIa (FXIa). |
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CC(NC(=O)c1ccccc1)C(=O)NNC=C1C=CC(=O)C=C1 | 0 | CC(NC(=O)c1ccccc1)C(=O)NNC=C1C=CC(=O)C=C1 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1] | BAAXAOASCLXFSZ-UHFFFAOYSA-N | N-[1-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of CC(NC(=O)c1ccccc1)C(=O)NNC=C1C=CC(=O)C=C1 is not an inhibitor of factor XIa (FXIa). |
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CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 0 | CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | PDHQHECHNHGIMV-UHFFFAOYSA-N | (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES representation of CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 is not an inhibitor of factor XIa (FXIa). |
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CCS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 0 | CCS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] | RCIJMMSEOSNHSW-UHFFFAOYSA-N | 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES CCS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 is not an inhibitor of factor XIa (FXIa). |
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CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCCOC)cc1 | 0 | CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCCOC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][C][O][C][C][=C][Ring2][Ring1][N] | VDXZNCZWKDJNNK-UHFFFAOYSA-N | ethyl 4-[[2-[3-(3-methoxypropyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical compound with the SMILES representation of CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCCOC)cc1 is not an inhibitor of factor XIa (FXIa). |
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CCOc1c(Cl)cnn(-c2ccc(C)cc2)c1=O | 0 | CCOc1c(Cl)cnn(-c2ccc(C)cc2)c1=O | [C][C][O][C][=C][Branch1][C][Cl][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | GNVIJRGWNYDSFH-UHFFFAOYSA-N | 5-chloro-4-ethoxy-2-(4-methylphenyl)pyridazin-3-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES CCOc1c(Cl)cnn(-c2ccc(C)cc2)c1=O is not an inhibitor of factor XIa (FXIa). |
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O=[N+]([O-])/C(=C\Nc1ccccc1)S(=O)(=O)c1ccccc1 | 0 | O=[N+]([O-])/C(=C\Nc1ccccc1)S(=O)(=O)c1ccccc1 | [O][=N+1][Branch1][C][O-1][/C][=Branch1][O][=C][\N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | TWLXXTZSFWTEKB-SDNWHVSQSA-N | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]aniline | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES O=[N+]([O-])/C(=C\Nc1ccccc1)S(=O)(=O)c1ccccc1 is not an inhibitor of factor XIa (FXIa). |
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CC(C)CC(NC(=O)c1[nH]cnc1C(=O)NC(C)c1ccccc1)C(=O)OC(C)(C)C | 0 | CC(C)CC(NC(=O)c1[nH]cnc1C(=O)NC(C)c1ccccc1)C(=O)OC(C)(C)C | [C][C][Branch1][C][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | SMGGCGRBKDJWAW-UHFFFAOYSA-N | tert-butyl 4-methyl-2-[[4-(1-phenylethylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentanoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES CC(C)CC(NC(=O)c1[nH]cnc1C(=O)NC(C)c1ccccc1)C(=O)OC(C)(C)C is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(CNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1 | 0 | COc1ccc(CNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][O][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][=C][C][#N][C][=C][Ring2][Ring1][Branch2] | DDMCGWQYUPQLDX-UHFFFAOYSA-N | 2-[(4-chlorophenoxy)methyl]-5-[(4-methoxyphenyl)methylamino]-1,3-oxazole-4-carbonitrile | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES representation of COc1ccc(CNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1 is not an inhibitor of factor XIa (FXIa). |
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CCOc1cc(C2C(C(=O)c3ccccc3)=C(C(=O)OC)N=C3N=NNN32)ccc1O | 0 | CCOc1cc(C2C(C(=O)c3ccccc3)=C(C(=O)OC)N=C3N=NNN32)ccc1O | [C][C][O][C][=C][C][Branch2][Ring2][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][=C][N][=N][N][N][Ring1][Branch1][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][O] | BHFYNAGNZYEPOW-UHFFFAOYSA-N | methyl 6-benzoyl-7-(3-ethoxy-4-hydroxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES CCOc1cc(C2C(C(=O)c3ccccc3)=C(C(=O)OC)N=C3N=NNN32)ccc1O is not an inhibitor of factor XIa (FXIa). |
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O=C(NC(c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 | 0 | O=C(NC(c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] | FJOIIWGXGPMMGP-UHFFFAOYSA-N | 3-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of O=C(NC(c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 is not an inhibitor of factor XIa (FXIa). |
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COC(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O | 0 | COC(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O | [C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | LSLYZYBIGSKFKL-UHFFFAOYSA-N | methyl 2-(1,3-dioxo-2-phenylinden-2-yl)acetate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The chemical with the SMILES COC(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1OC | 0 | COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][P][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][NH1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][O][C] | GXTKJIKDRWVCSN-UHFFFAOYSA-N | 2-(3,4-dimethoxyphenyl)-5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazole | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecular species with the SMILES COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1OC is not an inhibitor of factor XIa (FXIa). |
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COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 | 0 | COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | BSSJCUIMZZZKNL-UHFFFAOYSA-N | N'-[2-(4-chlorophenyl)acetyl]-4-methoxybenzohydrazide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES representation of COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 is not an inhibitor of factor XIa (FXIa). |
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C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1O | 0 | C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1O | [C][/C][Branch1][S][C][N][C][=N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][Branch2][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | MBVOWKPTYXIWFT-RIYZIHGNSA-N | 2-hydroxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The molecule with the SMILES C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1O is not an inhibitor of factor XIa (FXIa). |
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CCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 | 0 | CCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][C][=C][Ring1][S] | OHMQYISSTLMOIO-UHFFFAOYSA-N | ethyl 4-[(5-nitropyridin-2-yl)amino]benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-846#not &NULL}{MUV-846__names__noun}. | The compound with the SMILES CCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 is not an inhibitor of factor XIa (FXIa). |
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