SMILES
string | MUV-846
int64 | split
string | SMILES_ORIGINAL
string | IMAGE
image | SELFIES
string | InChIKey
string | IUPAC
string | template_original
string | template
string |
|---|---|---|---|---|---|---|---|---|---|
O=C(Oc1cc(=O)oc2ccccc12)c1cccnc1Cl | 0 | train | O=C(Oc1cc(=O)oc2ccccc12)c1cccnc1Cl | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl] | JPKAQKQEQUIEHR-UHFFFAOYSA-N | (2-oxochromen-4-yl) 2-chloropyridine-3-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Oc1cc(=O)oc2ccccc12)c1cccnc1Cl |
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CCCOc1ccc(C2(C(=O)O)CCCC2)cc1 | 0 | train | CCCOc1ccc(C2(C(=O)O)CCCC2)cc1 | [C][C][C][O][C][=C][C][=C][Branch1][#C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C] | MWRMMVFLULDWAC-UHFFFAOYSA-N | 1-(4-propoxyphenyl)cyclopentane-1-carboxylicacid | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCOc1ccc(C2(C(=O)O)CCCC2)cc1 |
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COc1cc(/C=N/N2CCOCC2)ccc1OC(=O)c1ccco1 | 0 | train | COc1cc(/C=N/N2CCOCC2)ccc1OC(=O)c1ccco1 | [C][O][C][=C][C][Branch1][O][/C][=N][/N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | OURZSLXZBHSLGV-LDADJPATSA-N | [2-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl] furan-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1cc(/C=N/N2CCOCC2)ccc1OC(=O)c1ccco1 |
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CCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 | 0 | train | CCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 | [C][C][O][C][=C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=Ring1][=N] | VYLAZODFNCTAOZ-UHFFFAOYSA-N | 5-ethoxy-7-methyl-4-phenylchromen-2-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 |
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CCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21 | 0 | train | CCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21 | [C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | DARWTGWTJLLAEO-UHFFFAOYSA-N | 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21 |
|
Cc1csc(NC(=O)c2c(O)n(CC(C)C)c3c(c2=O)CCCC3)n1 | 0 | train | Cc1csc(NC(=O)c2c(O)n(CC(C)C)c3c(c2=O)CCCC3)n1 | [C][C][=C][S][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][Branch1][C][Ring1][O][=O][C][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2] | XWRWGYJEUFQRKW-UHFFFAOYSA-N | 4-hydroxy-1-(2-methylpropyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1csc(NC(=O)c2c(O)n(CC(C)C)c3c(c2=O)CCCC3)n1 |
|
COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)cc1 | 0 | train | COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][S][=Branch1][C][=O][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2] | LONXMPWNXOAKRL-UHFFFAOYSA-N | 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)cc1 |
|
CCCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 | 0 | train | CCCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 | [C][C][C][N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][Branch1] | WKYCPLOBUNGCQW-UHFFFAOYSA-N | N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 |
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COc1ccc(-c2nnc(SCC(=O)Oc3ccc(C)cc3)o2)cc1 | 0 | train | COc1ccc(-c2nnc(SCC(=O)Oc3ccc(C)cc3)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | GNHBHMKYFZMBBU-UHFFFAOYSA-N | (4-methylphenyl) 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(-c2nnc(SCC(=O)Oc3ccc(C)cc3)o2)cc1 |
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CCCn1nnnc1NC(=O)c1ccc2ccccc2c1 | 0 | train | CCCn1nnnc1NC(=O)c1ccc2ccccc2c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | JRMJASIIIJVELQ-UHFFFAOYSA-N | N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCn1nnnc1NC(=O)c1ccc2ccccc2c1 |
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CC/N=C1\SC(C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC | 0 | train | CC/N=C1\SC(C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC | [C][C][/N][=C][\S][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][C] | ZQDSEQYBRDFNPG-ZCXUNETKSA-N | (2Z)-N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxidanylidene-1,3-thiazinane-6-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC/N=C1\SC(C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC |
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Cc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1 | 0 | train | Cc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | GSPMBIWGLYNSON-UHFFFAOYSA-N | 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1 |
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CCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1[N+](=O)[O-] | 0 | train | CCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1[N+](=O)[O-] | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][P][N+1][=Branch1][C][=O][O-1] | YSQNAGIVDNCZDW-UHFFFAOYSA-N | N-(cyclopentylcarbamothioyl)-4-ethoxy-3-nitrobenzamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1[N+](=O)[O-] |
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Cc1cc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 | 0 | train | Cc1cc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][#C][C][=N][NH1][C][=Branch1][C][=S][N][Ring1][=Branch1][/N][=C][/C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=N][NH1][Ring2][Ring1][#Branch1] | VDCKSZZWECWFSY-GIDUJCDVSA-N | 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 |
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Cc1ccc(S(=O)(=O)CC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 | 0 | train | Cc1ccc(S(=O)(=O)CC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch2] | FBSOHVUXUFDJDZ-UHFFFAOYSA-N | [2,6-dimethyl-4-[2-(4-methylphenyl)sulfonylacetyl]phenyl] N,N-dimethylcarbamate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(S(=O)(=O)CC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 |
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Cc1cc(C(=O)CS(=O)(=O)c2ccccc2)cc(C)c1OC(=O)N(C)C | 0 | train | Cc1cc(C(=O)CS(=O)(=O)c2ccccc2)cc(C)c1OC(=O)N(C)C | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C] | AAHUMVOTCJGEFN-UHFFFAOYSA-N | [4-[2-(benzenesulfonyl)acetyl]-2,6-dimethylphenyl] N,N-dimethylcarbamate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(C(=O)CS(=O)(=O)c2ccccc2)cc(C)c1OC(=O)N(C)C |
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CCC(=O)c1ccc(OCC(=O)NCCc2ccccn2)cc1 | 0 | train | CCC(=O)c1ccc(OCC(=O)NCCc2ccccn2)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | BOQUWFSGOSMJFT-UHFFFAOYSA-N | 2-(4-propanoylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCC(=O)c1ccc(OCC(=O)NCCc2ccccn2)cc1 |
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COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 | 0 | train | COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][P][C][=C][Ring2][Ring1][#Branch2] | PNIFMSZWOMKUIO-UHFFFAOYSA-N | N-(2-fluorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 |
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Cn1c(Cc2cccs2)nnc1SCC(=O)N1CCc2ccccc21 | 0 | train | Cn1c(Cc2cccs2)nnc1SCC(=O)N1CCc2ccccc21 | [C][N][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][O][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | YFFOMOAEGYUEOZ-UHFFFAOYSA-N | 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cn1c(Cc2cccs2)nnc1SCC(=O)N1CCc2ccccc21 |
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CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1 | 0 | train | CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][C][O][Ring1][Branch1] | ZBUGXJDOJWRINO-UHFFFAOYSA-N | ethyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1 |
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CCN1C(=O)S/C(=C\Nc2ccccc2)C1=O | 0 | train | CCN1C(=O)S/C(=C\Nc2ccccc2)C1=O | [C][C][N][C][=Branch1][C][=O][S][/C][=Branch1][O][=C][\N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O] | PVGWHHNCDLILBX-NTMALXAHSA-N | (5Z)-3-ethyl-5-(phenylazanylmethylidene)-1,3-thiazolidine-2,4-dione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCN1C(=O)S/C(=C\Nc2ccccc2)C1=O |
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CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 | 0 | train | CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][P] | RFSZHVIEMRNVCZ-UHFFFAOYSA-N | ethyl4-[2-(4-chlorophenoxy)acetyl]piperazine-1-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 |
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O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(C(=O)O)cc1 | 0 | train | O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(C(=O)O)cc1 | [O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] | RISAHTSTFIWXOL-UHFFFAOYSA-N | 4-[2-(2-carboxyethyl)-5-thiophen-2-ylpyrrol-1-yl]benzoic acid | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(C(=O)O)cc1 |
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Cc1ccc(Nc2nnc(SCC(=O)NC3CCCc4ccccc43)s2)cc1 | 0 | train | Cc1ccc(Nc2nnc(SCC(=O)NC3CCCc4ccccc43)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][C][N][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O] | GMTVFJPHGZFZFG-UHFFFAOYSA-N | 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(Nc2nnc(SCC(=O)NC3CCCc4ccccc43)s2)cc1 |
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COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 | 0 | train | COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Ring1] | HINAQWZRUFRKQE-VXLYETTFSA-N | methyl 4-[(E)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]benzoate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 |
|
O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1 | 0 | train | O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1 | [O][=C][Branch2][Ring2][#Branch1][N][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | RPQUAINZBSMDCK-UHFFFAOYSA-N | N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1 |
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CCC(Oc1ccccc1)C(=O)Nc1ccsc1C(=O)OC | 0 | train | CCC(Oc1ccccc1)C(=O)Nc1ccsc1C(=O)OC | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C] | MYZZQQNTRPYXRN-UHFFFAOYSA-N | methyl 3-(2-phenoxybutanoylamino)thiophene-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCC(Oc1ccccc1)C(=O)Nc1ccsc1C(=O)OC |
|
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1 | 0 | train | Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | MARBUXQLJNSOOJ-UHFFFAOYSA-N | 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1 |
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O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 | 0 | train | O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 | [O][=C][Branch2][Ring1][N][C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | UJPPQJXFNZBRED-UHFFFAOYSA-N | 2-[3-(furan-2-carbonyl)indol-1-yl]-N-phenylacetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 |
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O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12 | 0 | train | O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12 | [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][#Branch1] | FFULTBKXWHYHFQ-UHFFFAOYSA-N | 6-hydroxy-2-(4-hydroxyphenyl)chromen-4-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12 |
|
Cc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1C | 0 | train | Cc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1][C] | IYORDCPTDSVMDJ-UHFFFAOYSA-N | [2-(3,4-dimethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1C |
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COc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1cnnn1 | 0 | train | COc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1cnnn1 | [C][O][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][N][C][=N][N][=N][Ring1][Branch1] | AGIIEEBXXUYXFU-UHFFFAOYSA-N | 1-[4-methoxy-5-(tetrazol-1-yl)phenyl]sulfonylpiperidine | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1cnnn1 |
|
CCN(CC)c1ncc(Cl)c(C(=O)O)n1 | 0 | train | CCN(CC)c1ncc(Cl)c(C(=O)O)n1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][#Branch2] | NVKLOSGIRBPOMJ-UHFFFAOYSA-N | 5-chloro-2-(diethylamino)pyrimidine-4-carboxylicacid | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCN(CC)c1ncc(Cl)c(C(=O)O)n1 |
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Cc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 | 0 | train | Cc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | BLDINCVCCOGMHJ-UHFFFAOYSA-N | 4-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)butanamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 |
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COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 | 0 | train | COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][S][C][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2][N][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | MRCNDDUCNRIRIX-UHFFFAOYSA-N | methyl 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 |
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O=C(NCc1ccccn1)Nc1ccccc1 | 0 | train | O=C(NCc1ccccn1)Nc1ccccc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | VPUGNBWVJHYAQX-UHFFFAOYSA-N | 1-phenyl-3-(pyridin-2-ylmethyl)urea | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NCc1ccccn1)Nc1ccccc1 |
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O=S(=O)(c1ccc(Cl)cc1)n1ccc2cccnc21 | 0 | train | O=S(=O)(c1ccc(Cl)cc1)n1ccc2cccnc21 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | XGWGMCQQIFZABU-UHFFFAOYSA-N | 1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=S(=O)(c1ccc(Cl)cc1)n1ccc2cccnc21 |
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CCc1ccc(C(=O)COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 | 0 | train | CCc1ccc(C(=O)COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][C][=C][Ring2][Ring1][=N] | VQUPFRLPROHLKG-UHFFFAOYSA-N | [2-(4-ethylphenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCc1ccc(C(=O)COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 |
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CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)OCC(=O)Nc2ccccc2)C(C)C)c1 | 0 | train | CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)OCC(=O)Nc2ccccc2)C(C)C)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2] | YONGQXAWEUHFBF-UHFFFAOYSA-N | N-[1-(2-anilino-2-oxoethoxy)-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)OCC(=O)Nc2ccccc2)C(C)C)c1 |
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Cc1cnc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cn1 | 0 | train | Cc1cnc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cn1 | [C][C][=C][N][=C][Branch2][Ring1][N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=N][Ring2][Ring1][#Branch1] | CWXOWVFQMIEFFO-UHFFFAOYSA-N | [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cnc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cn1 |
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COc1ccc(S(=O)(=O)N2N=C(C)Oc3ccccc3C2=O)cc1 | 0 | train | COc1ccc(S(=O)(=O)N2N=C(C)Oc3ccccc3C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch1] | QZJBVOPONUIEGI-UHFFFAOYSA-N | 4-(4-methoxyphenyl)sulfonyl-2-methyl-1,3,4-benzoxadiazepin-5-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(S(=O)(=O)N2N=C(C)Oc3ccccc3C2=O)cc1 |
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CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O | 0 | train | CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O | [C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][Ring1][S][C][=C][Ring1][=C][C][Branch1][C][C][=O] | RVRWQSVEBWTKEU-UHFFFAOYSA-N | 1-[4,6-bis(methylsulfanyl)-2-phenylpyrimidin-5-yl]ethanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O |
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COc1cc(C=O)ccc1OCCOCCOc1cc(C)ccc1Cl | 0 | train | COc1cc(C=O)ccc1OCCOCCOc1cc(C)ccc1Cl | [C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][O][C][C][O][C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Cl] | BWPMHTVHQNRWSH-UHFFFAOYSA-N | 4-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethoxy]-3-methoxybenzaldehyde | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1cc(C=O)ccc1OCCOCCOc1cc(C)ccc1Cl |
|
O=C(O)/C(=C1/OC(=O)c2ccccc21)c1ccccc1 | 0 | train | O=C(O)/C(=C1/OC(=O)c2ccccc21)c1ccccc1 | [O][=C][Branch1][C][O][/C][=Branch1][P][=C][/O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | FYVAVBJZCHTYMI-BUHFOSPRSA-N | (2E)-2-(3-oxo-2-benzofuran-1-ylidene)-2-phenylacetic acid | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(O)/C(=C1/OC(=O)c2ccccc21)c1ccccc1 |
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O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)NC1CC1 | 0 | train | O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)NC1CC1 | [O][=C][Branch2][Ring1][#C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Ring1][Ring1] | QLPRETYFUAAUSR-UHFFFAOYSA-N | [2-(cyclopropylamino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)NC1CC1 |
|
CCCc1cc(=O)oc2c(C)c3occ(C)c3cc12 | 0 | train | CCCc1cc(=O)oc2c(C)c3occ(C)c3cc12 | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][O][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][S][Ring1][O] | XDCKPFUXVWLBLN-UHFFFAOYSA-N | 3,9-dimethyl-5-propylfuro[3,2-g]chromen-7-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCc1cc(=O)oc2c(C)c3occ(C)c3cc12 |
|
COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1 | 0 | train | COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][S][C][=N][C][=N][C][N][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | JRNBZRFZOCTWSP-UHFFFAOYSA-N | 6-[2-(4-methoxyphenoxy)ethylsulfanyl]-7H-purine | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1 |
|
O=C(CN1CCC(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(C(=O)O)cc1 | 0 | train | O=C(CN1CCC(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(C(=O)O)cc1 | [O][=C][Branch2][Ring1][O][C][N][C][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] | RFPYHVVQOSZRNK-UHFFFAOYSA-N | 4-[[2-[4-(3-chlorobenzoyl)piperidin-1-yl]acetyl]amino]benzoic acid | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(CN1CCC(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(C(=O)O)cc1 |
|
N/C(=N\N=C\c1cccc(O)c1)c1nonc1N | 0 | train | N/C(=N\N=C\c1cccc(O)c1)c1nonc1N | [N][/C][=Branch1][#C][=N][\N][=C][\C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=N][O][N][=C][Ring1][Branch1][N] | QCVAKZIXZJYURU-WLRTZDKTSA-N | 4-amino-N'-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: N/C(=N\N=C\c1cccc(O)c1)c1nonc1N |
|
O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCC2 | 0 | train | O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCC2 | [O][=C][Branch1][P][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1] | MNCNCHAFAWQBGS-UHFFFAOYSA-N | 1,3-benzodioxol-5-yl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCC2 |
|
COC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 | 0 | train | COC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][S] | KZQJMFFARWGURV-UHFFFAOYSA-N | methyl 5-[(2-nitrophenoxy)methyl]furan-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 |
|
COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c23)o1 | 0 | train | COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c23)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][S][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][O][Ring2][Ring1][C] | JYASBMHTSQDQDJ-UHFFFAOYSA-N | methyl 5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c23)o1 |
|
CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 | 0 | train | CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch2] | RHOIYVBQLFGPEX-UHFFFAOYSA-N | 4-ethyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 |
|
COc1cccc(C(=O)SC2=NCCS2)c1 | 0 | train | COc1cccc(C(=O)SC2=NCCS2)c1 | [C][O][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][S][C][=N][C][C][S][Ring1][Branch1][=C][Ring1][=C] | HOOLCCAUAXCYCX-UHFFFAOYSA-N | S-(4,5-dihydro-1,3-thiazol-2-yl) 3-methoxybenzenecarbothioate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1cccc(C(=O)SC2=NCCS2)c1 |
|
COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1OC | 0 | train | COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][O][C] | HZMULYPGJAMJRE-UHFFFAOYSA-N | 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(4,5-dimethoxyphenyl)ethyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1OC |
|
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C | 0 | train | Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C] | IQNOYMCGOALXJV-UHFFFAOYSA-N | 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C |
|
Cc1ccc(NCCC(=O)c2cccs2)cc1Cl | 0 | train | Cc1ccc(NCCC(=O)c2cccs2)cc1Cl | [C][C][=C][C][=C][Branch1][#C][N][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S][Cl] | QXDHRZHCBIPAQN-UHFFFAOYSA-N | 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(NCCC(=O)c2cccs2)cc1Cl |
|
CN1CCN(Cc2ccccc2C(F)(F)F)CC1 | 0 | train | CN1CCN(Cc2ccccc2C(F)(F)F)CC1 | [C][N][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][P] | VQFFETHTMKZSKT-UHFFFAOYSA-N | 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CN1CCN(Cc2ccccc2C(F)(F)F)CC1 |
|
Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1 | 0 | train | Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=C][S][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][C] | YKZZBXRNQJRYIP-UHFFFAOYSA-N | 4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1 |
|
CCc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1 | 0 | train | CCc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | JYLCHXFATNNNQT-UHFFFAOYSA-N | [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1 |
|
Cc1cc(C)cc(OCc2nc(-c3cccnc3)no2)c1 | 0 | train | Cc1cc(C)cc(OCc2nc(-c3cccnc3)no2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2] | PRAHPDQAXGDKAQ-UHFFFAOYSA-N | 5-[(3,5-dimethylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(C)cc(OCc2nc(-c3cccnc3)no2)c1 |
|
COc1ccccc1NC(=S)N(CCc1nc2cc(C)c(C)cc2[nH]1)Cc1cccnc1 | 0 | train | COc1ccccc1NC(=S)N(CCc1nc2cc(C)c(C)cc2[nH]1)Cc1cccnc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=S][N][Branch2][Ring1][=Branch1][C][C][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | XISUDBJEZXADGL-UHFFFAOYSA-N | 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccccc1NC(=S)N(CCc1nc2cc(C)c(C)cc2[nH]1)Cc1cccnc1 |
|
CC(=O)OCC1OC(c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O | 0 | train | CC(=O)OCC1OC(c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O | [C][C][=Branch1][C][=O][O][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O] | RSVDHRRPXRATQV-UHFFFAOYSA-N | (3,4,5-triacetyloxy-6-phenyloxan-2-yl)methyl acetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC(=O)OCC1OC(c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
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O=C(NCc1cccnc1)c1ccc(COc2ccc(Cl)cc2)cc1 | 0 | train | O=C(NCc1cccnc1)c1ccc(COc2ccc(Cl)cc2)cc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] | XKBTZKIHHFWVGS-UHFFFAOYSA-N | 4-[(4-chlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NCc1cccnc1)c1ccc(COc2ccc(Cl)cc2)cc1 |
|
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC(=S)N1CCCCC1 | 0 | train | O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC(=S)N1CCCCC1 | [O][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][S][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][=Branch1] | WOMJILJLYXUCTA-UHFFFAOYSA-N | (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-1-carbodithioate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC(=S)N1CCCCC1 |
|
CCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1 | 0 | train | CCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1] | GJHXSCLKRRXEGJ-UHFFFAOYSA-N | N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1 |
|
CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 | 0 | train | CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] | WAZCBWJBPWXTBV-UHFFFAOYSA-N | 2-ethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 |
|
CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2CC(=O)OC)s1 | 0 | train | CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2CC(=O)OC)s1 | [C][C][C][=C][C][=C][Branch2][Ring1][S][/C][=C][/C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][N][Ring1][=N][C][C][=Branch1][C][=O][O][C][S][Ring2][Ring1][Branch2] | DHOGGGWUUQGXQR-WJDWOHSUSA-N | methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2CC(=O)OC)s1 |
|
CCOC(=O)CN(C(=O)CN1CCOCC1)c1ccc(Br)cc1 | 0 | train | CCOC(=O)CN(C(=O)CN1CCOCC1)c1ccc(Br)cc1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | DOCNBGBJOCTLSZ-UHFFFAOYSA-N | N-(4-bromophenyl)-N-(2-ethoxy-2-oxoethyl)-2-morpholin-4-ylacetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)CN(C(=O)CN1CCOCC1)c1ccc(Br)cc1 |
|
Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1 | 0 | train | Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N+1][Branch1][C][O-1][C][Branch1][C][C][Branch1][C][C][N][Branch1][C][O][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring1][P] | NATHZAUAVBEFNC-UHFFFAOYSA-N | 3-hydroxy-2,2,4,4-tetramethyl-5-(4-methylphenyl)-1-oxidoimidazol-1-ium | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1 |
|
Cc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O | 0 | train | Cc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | LIBKMDVNZGYJCT-UHFFFAOYSA-N | 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methylphenyl)-2-oxopyridine-3-carbonitrile | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O |
|
CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 | 0 | train | CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][#Branch1] | FUJIKSWQUZVRHT-UHFFFAOYSA-N | N-(4-ethoxyphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 |
|
O=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1 | 0 | train | O=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][Ring1][S] | CACGICJDAQUQPD-UHFFFAOYSA-N | 5-(1-benzylsulfonylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1 |
|
Cc1cc(C)c(S(C)(=O)=O)c(Sc2ccc(Cl)cc2)n1 | 0 | train | Cc1cc(C)c(S(C)(=O)=O)c(Sc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | IDNMFKLSEFRGNE-UHFFFAOYSA-N | 2-(4-chlorophenyl)sulfanyl-4,6-dimethyl-3-methylsulfonylpyridine | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(C)c(S(C)(=O)=O)c(Sc2ccc(Cl)cc2)n1 |
|
COc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1 | 0 | train | COc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | ZPDCJGHYKWGVHZ-JXMROGBWSA-N | 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1 |
|
CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1 | 0 | train | CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | PGXXSRHSTOZJLC-UHFFFAOYSA-N | N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1 |
|
O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCc2ccccc21 | 0 | train | O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][Branch1][C][O][/N][=C][/C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | WWKIBLZAKDSVIX-SRZZPIQSSA-N | 2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCc2ccccc21 |
|
O=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 | 0 | train | O=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][#C] | WEBULCBOBCSZTI-UHFFFAOYSA-N | 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 |
|
COC(=O)CNc1nc(-c2ccncc2)nc2ccccc12 | 0 | train | COC(=O)CNc1nc(-c2ccncc2)nc2ccccc12 | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | XZLYPBBYNXOCJT-UHFFFAOYSA-N | methyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COC(=O)CNc1nc(-c2ccncc2)nc2ccccc12 |
|
CCCCn1c(SC(C)C(N)=O)nc2cc(C(=O)OC)ccc2c1=O | 0 | train | CCCCn1c(SC(C)C(N)=O)nc2cc(C(=O)OC)ccc2c1=O | [C][C][C][C][N][C][Branch1][O][S][C][Branch1][C][C][C][Branch1][C][N][=O][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=O] | KOPJXQVAPJRMJZ-UHFFFAOYSA-N | methyl 2-(1-amino-1-oxopropan-2-yl)sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCCn1c(SC(C)C(N)=O)nc2cc(C(=O)OC)ccc2c1=O |
|
CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 0 | train | CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | PXCZLFVLOSKJQN-UHFFFAOYSA-N | 4-(methanesulfonamido)-N-(2-phenylethyl)benzenesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 |
|
Cc1ccsc1/C=N/NC(=O)Cn1nnc2ccccc21 | 0 | train | Cc1ccsc1/C=N/NC(=O)Cn1nnc2ccccc21 | [C][C][C][=C][S][C][=Ring1][Branch1][/C][=N][/N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | GMLDENGBMISLIX-OVCLIPMQSA-N | 2-(benzotriazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccsc1/C=N/NC(=O)Cn1nnc2ccccc21 |
|
CC1(C)CC2C=C(C=O)C3(C=O)CC3(C)C2C1 | 0 | train | CC1(C)CC2C=C(C=O)C3(C=O)CC3(C)C2C1 | [C][C][Branch1][C][C][C][C][C][=C][Branch1][Ring1][C][=O][C][Branch1][Ring1][C][=O][C][C][Ring1][Branch1][Branch1][C][C][C][Ring1][N][C][Ring1][S] | PJAAESPGJOSQGZ-UHFFFAOYSA-N | 5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC1(C)CC2C=C(C=O)C3(C=O)CC3(C)C2C1 |
|
CCCCN1C(=O)/C(=C\c2ccco2)C(=O)N(CCc2ccccc2)C1=O | 0 | train | CCCCN1C(=O)/C(=C\c2ccco2)C(=O)N(CCc2ccccc2)C1=O | [C][C][C][C][N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] | RMKGLERGVUKAJF-OBGWFSINSA-N | (5E)-1-butyl-5-(furan-2-ylmethylidene)-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCCN1C(=O)/C(=C\c2ccco2)C(=O)N(CCc2ccccc2)C1=O |
|
O=C(COc1ccc(Cl)cc1Cl)NCc1ccncc1 | 0 | train | O=C(COc1ccc(Cl)cc1Cl)NCc1ccncc1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | MCJQNWABTXCSIE-UHFFFAOYSA-N | 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(COc1ccc(Cl)cc1Cl)NCc1ccncc1 |
|
Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] | 0 | train | Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][N+1][=Branch1][C][=O][O-1] | QLQZMZMJJLZTDF-UHFFFAOYSA-N | (4-benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] |
|
CCOc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 | 0 | train | CCOc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][O][N][N][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N] | IZOCLEMWJOKOSQ-UHFFFAOYSA-N | N-(4-ethoxyphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 |
|
O=C(NC1CCCc2ccccc21)c1ccccc1Br | 0 | train | O=C(NC1CCCc2ccccc21)c1ccccc1Br | [O][=C][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | GWWRMWMWOWGHCC-UHFFFAOYSA-N | 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NC1CCCc2ccccc21)c1ccccc1Br |
|
CC(C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2ccccc2)n1 | 0 | train | CC(C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2ccccc2)n1 | [C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | LHBZGUKAEYXQSX-UHFFFAOYSA-N | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC(C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2ccccc2)n1 |
|
CCC(=O)Nc1cc2c(cc1C(=O)CC)OCCO2 | 0 | train | CCC(=O)Nc1cc2c(cc1C(=O)CC)OCCO2 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][C][O][Ring1][N] | DLWOCFVRDZWCIK-UHFFFAOYSA-N | N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCC(=O)Nc1cc2c(cc1C(=O)CC)OCCO2 |
|
Cc1cc(C)cc(OCC(=O)OCC(=O)NCc2cccs2)c1 | 0 | train | Cc1cc(C)cc(OCC(=O)OCC(=O)NCc2cccs2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | XHSKIOBBEVUMDV-UHFFFAOYSA-N | [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,5-dimethylphenoxy)acetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(C)cc(OCC(=O)OCC(=O)NCc2cccs2)c1 |
|
CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2 | 0 | train | CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][P][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][S][=Branch1][C][=O][C][Ring1][S] | LWDRUQBIMLEZFD-UHFFFAOYSA-N | N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2 |
|
COCCNC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C | 0 | train | COCCNC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][=N][C][=Ring2][Ring1][C][C] | CQTWKGNGEPZZCC-UHFFFAOYSA-N | 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COCCNC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C |
|
Cc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1 | 0 | train | Cc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1] | FTHFPSVBIOTRDF-UHFFFAOYSA-N | [2-(2,6-dimethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1 |
|
O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccc2c(c1)OCO2 | 0 | train | O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | DSTRXOGFJBRFBY-UHFFFAOYSA-N | N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccc2c(c1)OCO2 |
|
COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C | 0 | train | COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][Ring2][Ring1][C][C] | KCXDWACPJYCVBV-UHFFFAOYSA-N | 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C |
|
O=C(C1CCCCC1)N1CCN(c2ccccc2F)CC1 | 0 | train | O=C(C1CCCCC1)N1CCN(c2ccccc2F)CC1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | CBAROQKBBDTLOF-UHFFFAOYSA-N | cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(C1CCCCC1)N1CCN(c2ccccc2F)CC1 |
|
COc1cccc(Cn2c(-c3nonc3N)nc3ccccc32)c1 | 0 | train | COc1cccc(Cn2c(-c3nonc3N)nc3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][=C][Ring2][Ring1][=Branch1] | ZTQIQQGRCNJUPF-UHFFFAOYSA-N | 4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1cccc(Cn2c(-c3nonc3N)nc3ccccc32)c1 |
|
CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O | 0 | train | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O | [C][C][=C][/C][=Branch2][Ring1][C][=N][\O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][C][Ring2][Ring1][C][=O] | AEPLJPYPGBUUDJ-FYWRMAATSA-N | [(E)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O |
|
O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1ccco1 | 0 | train | O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1ccco1 | [O][=C][Branch2][Ring1][O][N][C][=Branch1][C][=S][N][C][C][N][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | FIEBDHZWEQUBQU-XBXARRHUSA-N | N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]furan-2-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1ccco1 |
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