SMILES
string | MUV-737
int64 | split
string | SMILES_ORIGINAL
string | IMAGE
image | SELFIES
string | InChIKey
string | IUPAC
string | template_original
string | template
string |
|---|---|---|---|---|---|---|---|---|---|
Cn1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 | 0 | valid | Cn1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | XHMOYVSRRNPJOA-UHFFFAOYSA-N | 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES Cn1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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COc1ccc(C2C(C(=O)NCc3ccccc3)=C(C)N=C3N=CNN32)cc1OC | 0 | valid | COc1ccc(C2C(C(=O)NCc3ccccc3)=C(C)N=C3N=CNN32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][=C][N][=C][N][N][Ring1][Branch1][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][O][C] | CFHOSOJNGDZDIW-UHFFFAOYSA-N | 7-(3,4-dimethoxyphenyl)-5-methyl-N-(phenylmethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES COc1ccc(C2C(C(=O)NCc3ccccc3)=C(C)N=C3N=CNN32)cc1OC is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C1c2cccnc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 | 0 | valid | O=C1c2cccnc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C] | DJJHOAXPBRBBGN-UHFFFAOYSA-N | 6-[3-(1,3-benzoxazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES O=C1c2cccnc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 | 0 | valid | O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring2][C][C][O][C][=Branch1][C][=O][C][C][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][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | ZXZWDMIIZKMFHU-UHFFFAOYSA-N | [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 is not a potentiator of the ER-alpha-coact. binding. |
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COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 | 0 | valid | COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 | [C][O][C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | MNLXGKMHYOCLMH-UHFFFAOYSA-N | N-[3-(3-methoxypropylamino)quinoxalin-2-yl]thiophene-2-sulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 is not a potentiator of the ER-alpha-coact. binding. |
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COc1cccc(-c2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)c1 | 0 | valid | COc1cccc(-c2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][NH1][N][=C][C][=Ring1][Branch1][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring1][#C][=C][Ring2][Ring1][Branch2] | XDXFDTWRMBZNAH-UHFFFAOYSA-N | 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES COc1cccc(-c2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)c1 is not a potentiator of the ER-alpha-coact. binding. |
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CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O | 0 | valid | CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][=N][=O] | GLWDKUGOBKLPAM-UHFFFAOYSA-N | ethyl 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccs1 | 0 | valid | O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccs1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1] | RRYDLCWQHPMJJS-UHFFFAOYSA-N | N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccs1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC | 0 | valid | COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | DABHSSCZWAQBMZ-UHFFFAOYSA-N | 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CCCc1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3Cl)c2n1 | 0 | valid | CCCc1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3Cl)c2n1 | [C][C][C][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][N][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=N][=N][Ring2][Ring1][N] | XMNBTBDCEAJLDZ-UHFFFAOYSA-N | N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)methyl]-5-propyltriazolo[4,5-d]pyrimidin-7-amine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES CCCc1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3Cl)c2n1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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N#Cc1cc2c(nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCN2CC1 | 0 | valid | N#Cc1cc2c(nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCN2CC1 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][N][Ring2][Ring1][Branch1][C][C][Ring1][=Branch1] | VOMXTIXFBRTCME-UHFFFAOYSA-N | 2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of N#Cc1cc2c(nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCN2CC1 is not a potentiator of the ER-alpha-coact. binding. |
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COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)c(OC)c1 | 0 | valid | COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][C][C][Ring1][#C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C] | ZRLUXUMSTODBNH-UHFFFAOYSA-N | N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)c(OC)c1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=S(=O)(NCc1ccccc1)c1cccc2cccnc12 | 0 | valid | O=S(=O)(NCc1ccccc1)c1cccc2cccnc12 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | WJYUJJGHVTWDCK-UHFFFAOYSA-N | N-benzylquinoline-8-sulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of O=S(=O)(NCc1ccccc1)c1cccc2cccnc12 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CC1=CC2=C(OC1N(C)C)c1cccc3cccc(c13)C2=O | 0 | valid | CC1=CC2=C(OC1N(C)C)c1cccc3cccc(c13)C2=O | [C][C][=C][C][=C][Branch1][#Branch2][O][C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][C][=O] | IIJYHLHWHGZFRM-UHFFFAOYSA-N | 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of CC1=CC2=C(OC1N(C)C)c1cccc3cccc(c13)C2=O is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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Cn1nnnc1SCC(=O)Nc1ccccc1Cc1ccccc1 | 0 | valid | Cn1nnnc1SCC(=O)Nc1ccccc1Cc1ccccc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | JWNLTRCWSRQKRB-UHFFFAOYSA-N | N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of Cn1nnnc1SCC(=O)Nc1ccccc1Cc1ccccc1 is not a potentiator of the ER-alpha-coact. binding. |
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CCOC(=O)N1CCC(n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)CC1 | 0 | valid | CCOC(=O)N1CCC(n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][P][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][Ring2][=O][C][C][Ring2][Ring1][O] | AFNYBHPNLRFRNZ-UHFFFAOYSA-N | ethyl 4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES CCOC(=O)N1CCC(n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)CC1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CCC(C)NS(=O)(=O)c1cccs1 | 0 | valid | CCC(C)NS(=O)(=O)c1cccs1 | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | XKFBXTIWCYHLHD-UHFFFAOYSA-N | N-butan-2-ylthiophene-2-sulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of CCC(C)NS(=O)(=O)c1cccs1 is not a potentiator of the ER-alpha-coact. binding. |
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O=C(CCNS(=O)(=O)c1cccc2nonc12)NCCc1ccc(Cl)cc1 | 0 | valid | O=C(CCNS(=O)(=O)c1cccc2nonc12)NCCc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | SSLYGIHYRXCXFD-UHFFFAOYSA-N | 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-[2-(4-chlorophenyl)ethyl]propanamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of O=C(CCNS(=O)(=O)c1cccc2nonc12)NCCc1ccc(Cl)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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CC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 | 0 | valid | CC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | VSDWEZICCSENNG-UHFFFAOYSA-N | 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of CC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 is not a potentiator of the ER-alpha-coact. binding. |
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COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1 | 0 | valid | COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | OKSDTORCCDZDON-UHFFFAOYSA-N | [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)C1CC1 | 0 | valid | O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)C1CC1 | [O][=C][Branch2][Ring1][=C][N][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=N][N][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring1] | QRTSJSQYOXNDBD-UHFFFAOYSA-N | N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)C1CC1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CCOC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 | 0 | valid | CCOC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][C][C][Ring1][=C] | BBZQVFMYZCLNMT-UHFFFAOYSA-N | ethyl 1-(5-bromofuran-2-carbonyl)piperidine-4-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES CCOC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 is not a potentiator of the ER-alpha-coact. binding. |
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Cn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21 | 0 | valid | Cn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21 | [C][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][S][C][=C][C][=Ring1][Branch1][Ring2][Ring1][Branch1] | CKTQOTBBJHKELS-UHFFFAOYSA-N | [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of Cn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21 is not a potentiator of the ER-alpha-coact. binding. |
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COc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1 | 0 | valid | COc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=N][C][Branch1][C][N][=N][C][Branch1][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=N][Ring1][P][=C][Ring2][Ring1][Branch2] | OQQYZZLECDKEQZ-UHFFFAOYSA-N | 2-N-(3-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of COc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1 | 0 | valid | O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N] | WXAIAZIELRAKQA-XNTDXEJSSA-N | (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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COCc1cc(=O)n2c([nH]c3ccccc32)c1C#N | 0 | valid | COCc1cc(=O)n2c([nH]c3ccccc32)c1C#N | [C][O][C][C][=C][C][=Branch1][C][=O][N][C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][=C][C][#N] | VAWISSLBKBZMSQ-UHFFFAOYSA-N | 3-(methoxymethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of COCc1cc(=O)n2c([nH]c3ccccc32)c1C#N is not a potentiator of the ER-alpha-coact. binding. |
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O=C1C=CC(=CNCC2COc3ccccc3O2)C=C1 | 0 | valid | O=C1C=CC(=CNCC2COc3ccccc3O2)C=C1 | [O][=C][C][=C][C][=Branch2][Ring1][C][=C][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | LNIRHABARANNCG-UHFFFAOYSA-N | 4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylidene]cyclohexa-2,5-dien-1-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of O=C1C=CC(=CNCC2COc3ccccc3O2)C=C1 is not a potentiator of the ER-alpha-coact. binding. |
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COc1ccc(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC | 0 | valid | COc1ccc(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][#C][O][C] | TWQMJLFAKLUGBO-UHFFFAOYSA-N | 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(4,5-dimethoxyphenyl)ethyl]-4-oxobutanamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of COc1ccc(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C1CCCC2=C1C(Cc1ccccc1)C1=C(CCCC1=O)O2 | 0 | valid | O=C1CCCC2=C1C(Cc1ccccc1)C1=C(CCCC1=O)O2 | [O][=C][C][C][C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch2][C][C][C][C][Ring1][=Branch1][=O][O][Ring2][Ring1][C] | SZLRBWDPLZSMDK-UHFFFAOYSA-N | 9-benzyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES O=C1CCCC2=C1C(Cc1ccccc1)C1=C(CCCC1=O)O2 is not a potentiator of the ER-alpha-coact. binding. |
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CCCc1cc(C(=O)NCCc2ccccc2)no1 | 0 | valid | CCCc1cc(C(=O)NCCc2ccccc2)no1 | [C][C][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][S] | PWMNRTLJYVFXIX-UHFFFAOYSA-N | N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of CCCc1cc(C(=O)NCCc2ccccc2)no1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 | 0 | valid | O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | AQIGWIIZZSDMOS-UHFFFAOYSA-N | N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[[5-(4-fluorophenyl)-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-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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O=C(CSc1nnc(C2CCCN2)o1)c1ccc(Cl)cc1 | 0 | valid | O=C(CSc1nnc(C2CCCN2)o1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][C][C][C][N][Ring1][Branch1][O][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | JSSYVYCZAYIYLB-UHFFFAOYSA-N | 1-(4-chlorophenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES representation of O=C(CSc1nnc(C2CCCN2)o1)c1ccc(Cl)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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Cc1[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc(=O)c1Cc1ccccc1 | 0 | valid | Cc1[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc(=O)c1Cc1ccccc1 | [C][C][NH1][C][Branch2][Ring1][S][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | ZMCWQFYKNDVBTE-UHFFFAOYSA-N | N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of Cc1[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc(=O)c1Cc1ccccc1 is not a potentiator of the ER-alpha-coact. binding. |
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Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2 | 0 | valid | Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2 | [C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | YTYLHKIQCYKTDV-UHFFFAOYSA-N | 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1 | 0 | valid | Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1 | [C][N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][N][=C][Ring2][Ring1][Ring1][C][=C][C][=C][S][Ring1][Branch1] | MOOYKOQAOHLIDZ-UHFFFAOYSA-N | 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 | 0 | valid | CCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 | [C][C][C][N][/C][=Branch1][=N][=N][/C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][N] | SOPJQJLWSNJZCY-LYBHJNIJSA-N | ethyl(6E)-6-(furan-2-ylcarbonylimino)-2-oxidanylidene-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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COC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 | 0 | valid | COC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][P] | KHKSGOZKLITAPF-UHFFFAOYSA-N | methyl 4-[(3-methoxybenzoyl)amino]benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of COC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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Cc1ccc(OCC(=O)Nn2cnc3ccccc32)cc1 | 0 | valid | Cc1ccc(OCC(=O)Nn2cnc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | ZQRMEBYBMWCVMX-UHFFFAOYSA-N | N-(benzimidazol-1-yl)-2-(4-methylphenoxy)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of Cc1ccc(OCC(=O)Nn2cnc3ccccc32)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)cc1 | 0 | valid | Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][P][C][=C][Ring2][Ring1][N] | ZVIGDHZPRGPKSI-UHFFFAOYSA-N | 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 | 0 | valid | O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | CTXXQYXYLRHJBU-UHFFFAOYSA-N | 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoicacid | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 is not a potentiator of the ER-alpha-coact. binding. |
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CCn1cc(C(=O)c2ccccc2)c2ccccc21 | 0 | valid | CCn1cc(C(=O)c2ccccc2)c2ccccc21 | [C][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | VUFQMIDVZNQVAK-UHFFFAOYSA-N | (1-ethylindol-3-yl)-phenylmethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCn1cc(C(=O)c2ccccc2)c2ccccc21 is not a potentiator of the ER-alpha-coact. binding. |
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Fc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1 | 0 | valid | Fc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring1][C][S][C][=N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | ZNNKJRBVULVEPT-UHFFFAOYSA-N | 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES Fc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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CN(C(=O)c1ccc(NC(=O)c2cnccn2)cc1)C1CCCCC1 | 0 | valid | CN(C(=O)c1ccc(NC(=O)c2cnccn2)cc1)C1CCCCC1 | [C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][C][C][C][C][C][C][Ring1][=Branch1] | YXNQEEKEYGNIJU-UHFFFAOYSA-N | N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]pyrazine-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of CN(C(=O)c1ccc(NC(=O)c2cnccn2)cc1)C1CCCCC1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CCCC3 | 0 | valid | CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CCCC3 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Ring2][Ring1][Ring2][=O][C][C][C][C][Ring1][=Branch2] | XLWMXDHWHALMNI-UHFFFAOYSA-N | 2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CCCC3 is not a potentiator of the ER-alpha-coact. binding. |
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CCC(c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 | 0 | valid | CCC(c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 | [C][C][C][Branch1][P][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][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] | XWAXPFWBCXQFGN-UHFFFAOYSA-N | [4-[1-(1-benzyltetrazol-5-yl)propyl]piperazin-1-yl]-(furan-2-yl)methanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCC(c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 is not a potentiator of the ER-alpha-coact. binding. |
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CCOc1ccc(C2=Nn3cnnc3SC2)cc1 | 0 | valid | CCOc1ccc(C2=Nn3cnnc3SC2)cc1 | [C][C][O][C][=C][C][=C][Branch1][=C][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][C][Ring1][=Branch2][C][=C][Ring1][#C] | OHSHOMBFVZDWKR-UHFFFAOYSA-N | 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES CCOc1ccc(C2=Nn3cnnc3SC2)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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COc1ccc2c(c1)C(=O)c1ccccc1CO2 | 0 | valid | COc1ccc2c(c1)C(=O)c1ccccc1CO2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][=N] | GTFOTXQFXHOBJY-UHFFFAOYSA-N | 2-methoxy-6H-benzo[c][1]benzoxepin-11-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES COc1ccc2c(c1)C(=O)c1ccccc1CO2 is not a potentiator of the ER-alpha-coact. binding. |
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CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1 | 0 | valid | CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][S][C][=C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][C][Ring2][Ring1][O][=Ring2][Ring1][C][C][O][Ring2][Ring1][S] | RNXVIGKEBHAFIY-UHFFFAOYSA-N | 2-[4-(4,4-dimethyl-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)piperazin-1-yl]ethanol | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1 is not a potentiator of the ER-alpha-coact. binding. |
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Cc1ccc(OCc2cc(C(=O)Nc3ccccc3)oc2C)cc1 | 0 | valid | Cc1ccc(OCc2cc(C(=O)Nc3ccccc3)oc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][=C][C][C][=C][Ring2][Ring1][#Branch1] | HDTYMPQNMZFWLS-UHFFFAOYSA-N | 5-methyl-4-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES Cc1ccc(OCc2cc(C(=O)Nc3ccccc3)oc2C)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CCn1c(NCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C | 0 | valid | CCn1c(NCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | DWLUQZHZDLIOEP-UHFFFAOYSA-N | 7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCn1c(NCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C is not a potentiator of the ER-alpha-coact. binding. |
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CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc2c(c1)CCC2 | 0 | valid | CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc2c(c1)CCC2 | [C][C][O][C][=Branch1][C][=O][/C][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | CZXKABZGZBYGHS-MFOYZWKCSA-N | ethyl (2Z)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc2c(c1)CCC2 is not a potentiator of the ER-alpha-coact. binding. |
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COc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1 | 0 | valid | COc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | WMKSFUDKAAFMOF-UHFFFAOYSA-N | 1-(1,2-dimethylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of COc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1 is not a potentiator of the ER-alpha-coact. binding. |
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N#Cc1c(NCc2ccccc2)ccnc1NCc1cccnc1 | 0 | valid | N#Cc1c(NCc2ccccc2)ccnc1NCc1cccnc1 | [N][#C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Ring1][=C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | ZDVBOUMTYMSOFM-UHFFFAOYSA-N | 4-(benzylamino)-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES N#Cc1c(NCc2ccccc2)ccnc1NCc1cccnc1 is not a potentiator of the ER-alpha-coact. binding. |
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COc1ccc(C(=O)CSc2nnc(C(CO)NC(=O)c3ccc(OC)cc3)n2C)cc1 | 0 | valid | COc1ccc(C(=O)CSc2nnc(C(CO)NC(=O)c3ccc(OC)cc3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch2][Ring1][#Branch1][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][=C] | ZZQXFQFTAOZVEL-UHFFFAOYSA-N | N-[2-hydroxy-1-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES COc1ccc(C(=O)CSc2nnc(C(CO)NC(=O)c3ccc(OC)cc3)n2C)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 | 0 | valid | O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch2][Ring1][=N][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | DZBVIUGQJDFAKN-UHFFFAOYSA-N | 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)no1 | 0 | valid | Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)no1 | [C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][O][Ring2][Ring1][N] | HLJPBXAXBQCXPJ-UHFFFAOYSA-N | N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES representation of Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)no1 is not a potentiator of the ER-alpha-coact. binding. |
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O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc2ccccc2c1 | 0 | valid | O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc2ccccc2c1 | [O][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | NSJHGQZIEWRJIZ-UHFFFAOYSA-N | naphthalen-2-yl 3-(1,3-dioxoisoindol-2-yl)propanoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc2ccccc2c1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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Cc1ccc(C(=O)C(C)OC(=O)C2=COCCO2)cc1C | 0 | valid | Cc1ccc(C(=O)C(C)OC(=O)C2=COCCO2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][O][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C] | LGXMPCBNFJEPSO-UHFFFAOYSA-N | [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES Cc1ccc(C(=O)C(C)OC(=O)C2=COCCO2)cc1C is not a potentiator of the ER-alpha-coact. binding. |
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COCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 | 0 | valid | COCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][S][Ring1][S] | FYRLDGZKWMHXOC-UHFFFAOYSA-N | N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of COCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 is not a potentiator of the ER-alpha-coact. binding. |
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COc1ccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c(OC)c1 | 0 | valid | COc1ccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2] | VGNDZBCHUKTNBZ-UHFFFAOYSA-N | N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES COc1ccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c(OC)c1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1 | 0 | valid | O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] | MFMSSEZKIYJVSZ-UHFFFAOYSA-N | piperidin-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1 is not a potentiator of the ER-alpha-coact. binding. |
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c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1 | 0 | valid | c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1 | [C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][O][C][Branch2][Ring1][N][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] | RJHCGCBEVHOGBY-UHFFFAOYSA-N | 3-phenyl-5-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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COC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 | 0 | valid | COC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | ZNPUCHJLCHSGTM-UHFFFAOYSA-N | methyl 4-[[2-(methanesulfonamido)benzoyl]amino]benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of COC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCN(c2ccccc2)CC1 | 0 | valid | O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch2][Ring1][N][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][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | OQELOSYFKAFEJT-UHFFFAOYSA-N | 3-(furan-2-ylmethyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCN(c2ccccc2)CC1 is not a potentiator of the ER-alpha-coact. binding. |
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Cc1ccc(Cc2nnc3n(-c4cccc(C)c4)nc(C(=O)c4ccccc4)n3c2=O)cc1 | 0 | valid | Cc1ccc(Cc2nnc3n(-c4cccc(C)c4)nc(C(=O)c4ccccc4)n3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=N][C][C][=N][N][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][S] | CDDYCBJDNUHIJA-UHFFFAOYSA-N | 3-benzoyl-1-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES Cc1ccc(Cc2nnc3n(-c4cccc(C)c4)nc(C(=O)c4ccccc4)n3c2=O)cc1 is not a potentiator of the ER-alpha-coact. binding. |
|
COc1ccccc1CC1(C)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O | 0 | valid | COc1ccccc1CC1(C)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=O] | IZRUDTFTHPRXRP-UHFFFAOYSA-N | 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of COc1ccccc1CC1(C)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=c1/c(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)sc2n1CCN=2 | 0 | valid | O=c1/c(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)sc2n1CCN=2 | [O][=C][/C][=Branch2][Ring1][=N][=C][/C][=C][C][=C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][S][C][N][Ring2][Ring1][=Branch1][C][C][N][=Ring1][Branch1] | DBRMYWKPLOTMAY-GDNBJRDFSA-N | N-[[5-[(Z)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]furan-2-yl]methyl]benzenesulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES O=c1/c(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)sc2n1CCN=2 is not a potentiator of the ER-alpha-coact. binding. |
|
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1 | 0 | valid | COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O] | ASANWFPJRXOLPD-UHFFFAOYSA-N | 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-(3-methylphenyl)urea | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(Cl)c2)cc1 | 0 | valid | COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(Cl)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O] | VCSLESUINQAAOP-UHFFFAOYSA-N | 1-(3-chlorophenyl)-3-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]urea | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(Cl)c2)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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COCCN1CC(=O)N(c2ccc(C)cc2C)C(c2ccc(N(C)C)cc2)C1=O | 0 | valid | COCCN1CC(=O)N(c2ccc(C)cc2C)C(c2ccc(N(C)C)cc2)C1=O | [C][O][C][C][N][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Branch2][=O] | DUPOPGHPZBSFMN-UHFFFAOYSA-N | 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES representation of COCCN1CC(=O)N(c2ccc(C)cc2C)C(c2ccc(N(C)C)cc2)C1=O is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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O=C1c2ccccc2C(=O)N1CCC(=O)N1CCCc2ccccc21 | 0 | valid | O=C1c2ccccc2C(=O)N1CCC(=O)N1CCCc2ccccc21 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | QCPWWWBTUSZYMF-UHFFFAOYSA-N | 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]isoindole-1,3-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES O=C1c2ccccc2C(=O)N1CCC(=O)N1CCCc2ccccc21 is not a potentiator of the ER-alpha-coact. binding. |
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O=C(Cc1cccs1)Nc1ccccc1C(=O)O | 0 | valid | O=C(Cc1cccs1)Nc1ccccc1C(=O)O | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] | YBFXZOGWPLCRJL-UHFFFAOYSA-N | 2-[[2-(thiophen-2-yl)acetyl]amino]benzoicacid | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES O=C(Cc1cccs1)Nc1ccccc1C(=O)O is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CCOc1ccc(NC(=O)c2ccc(N)cc2)cc1 | 0 | valid | CCOc1ccc(NC(=O)c2ccc(N)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | WNXZDXDCJNQWQN-UHFFFAOYSA-N | 4-amino-N-(4-ethoxyphenyl)benzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES CCOc1ccc(NC(=O)c2ccc(N)cc2)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1 | 0 | valid | CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | YUBKZTXGSXBHSL-UHFFFAOYSA-N | [4-[(2-phenylsulfanylacetyl)amino]phenyl] acetate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CCOC(=O)/C(C#N)=C1/C=CN(C)C(C)=N1 | 0 | valid | CCOC(=O)/C(C#N)=C1/C=CN(C)C(C)=N1 | [C][C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][N][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2] | CLEFFSLGCBQTLS-KTKRTIGZSA-N | ethyl (2Z)-2-cyano-2-(1,2-dimethylpyrimidin-4-ylidene)acetate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCOC(=O)/C(C#N)=C1/C=CN(C)C(C)=N1 is not a potentiator of the ER-alpha-coact. binding. |
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O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1 | 0 | valid | O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][S] | JBHJVAQCJSXKNT-UHFFFAOYSA-N | 4-(oxolan-2-ylmethylsulfamoyl)-N-phenylbenzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | 0 | valid | CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S] | NDDKMGWHTKAROP-UHFFFAOYSA-N | 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-tert-butyltetrazol-5-yl)-(thiophen-2-yl)methyl]piperazine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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S=C(Nc1ccccc1)N1CCn2c1nc1ccccc12 | 0 | valid | S=C(Nc1ccccc1)N1CCn2c1nc1ccccc12 | [S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | QLCZSTZCONOGFO-UHFFFAOYSA-N | N-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES S=C(Nc1ccccc1)N1CCn2c1nc1ccccc12 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2ccccc2)CO1 | 0 | valid | CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2ccccc2)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][#Branch2][S][C][=C][Ring1][Branch1][C][=Branch1][C][=N][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring2][Ring1][S] | GHVVXYUMOHKPEU-UHFFFAOYSA-N | 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-phenylacetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2ccccc2)CO1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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Cc1cc(OCCOCCN2CCCC2)ccc1C(C)C | 0 | valid | Cc1cc(OCCOCCN2CCCC2)ccc1C(C)C | [C][C][=C][C][Branch1][=C][O][C][C][O][C][C][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][P][C][Branch1][C][C][C] | DJXXAAZCZQAFBJ-UHFFFAOYSA-N | 1-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES representation of Cc1cc(OCCOCCN2CCCC2)ccc1C(C)C is not a potentiator of the ER-alpha-coact. binding. |
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O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccs1 | 0 | valid | O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccs1 | [O][=C][Branch2][Ring1][=C][O][C][C][#C][C][S][C][=N][N][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1] | KBXPMIOIACOIOC-UHFFFAOYSA-N | 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl thiophene-2-carboxylate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES representation of O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccs1 is not a potentiator of the ER-alpha-coact. binding. |
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O=S(=O)(c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1)N1CCCCCC1 | 0 | valid | O=S(=O)(c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][N][C][C][C][C][C][C][Ring1][#Branch1] | MBQGJBHYBFJZPW-UHFFFAOYSA-N | 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylbenzimidazole | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of O=S(=O)(c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1)N1CCCCCC1 is not a potentiator of the ER-alpha-coact. binding. |
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CN(C)c1cccc(C(=O)Nc2cccc(F)c2)c1 | 0 | valid | CN(C)c1cccc(C(=O)Nc2cccc(F)c2)c1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][S] | FBNGAGCTOBRTFJ-UHFFFAOYSA-N | 3-(dimethylamino)-N-(3-fluorophenyl)benzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES CN(C)c1cccc(C(=O)Nc2cccc(F)c2)c1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
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COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccccc2)cc1 | 0 | valid | COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] | YKWYEWZJBSACMS-UHFFFAOYSA-N | 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-phenylurea | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccccc2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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Cc1cc(NC(=O)COc2ncnc3sc(C)c(C)c23)no1 | 0 | valid | Cc1cc(NC(=O)COc2ncnc3sc(C)c(C)c23)no1 | [C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][O][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][=N][O][Ring2][Ring1][Branch1] | KBSUVDFIVRRPLU-UHFFFAOYSA-N | 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of Cc1cc(NC(=O)COc2ncnc3sc(C)c(C)c23)no1 is not a potentiator of the ER-alpha-coact. binding. |
|
COc1cccc(C(=O)Nc2ccc(C)cc2)c1 | 0 | valid | COc1cccc(C(=O)Nc2ccc(C)cc2)c1 | [C][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][S] | BIJLHGLTLCKSIT-UHFFFAOYSA-N | 3-methoxy-N-(4-methylphenyl)benzamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of COc1cccc(C(=O)Nc2ccc(C)cc2)c1 is not a potentiator of the ER-alpha-coact. binding. |
|
COC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1 | 0 | valid | COC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][NH1][C][Ring1][=C][=O][=C][Ring2][Ring1][S] | RPDGLMBDUGWSLJ-UHFFFAOYSA-N | methyl 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES representation of COC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
|
CCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1 | 0 | valid | CCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][Ring1][C][#N][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][O] | AGZHAIUEUKCONM-UHFFFAOYSA-N | 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
|
Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc(-c3ccccc3)cn12 | 0 | valid | Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc(-c3ccccc3)cn12 | [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][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][#Branch2][Ring1][O] | ZYBGAETWDZWPMW-UHFFFAOYSA-N | N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES representation of Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc(-c3ccccc3)cn12 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
|
Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1 | 0 | valid | Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1 | [C][N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][N][=C][Ring2][Ring1][Ring1][C][=C][C][=C][S][Ring1][Branch1] | UUFYEEMKDFCUPC-UHFFFAOYSA-N | 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
|
CC(=O)C1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-] | 0 | valid | CC(=O)C1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-] | [C][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N+1][Ring1][=C][O-1] | VUHVBUZVZYEYDM-UHFFFAOYSA-N | 1-[5-(furan-2-yl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES CC(=O)C1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-] is not a potentiator of the ER-alpha-coact. binding. |
|
CCOc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1 | 0 | valid | CCOc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | IQWRKEWHQDQHNH-UHFFFAOYSA-N | 2-[4-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylethanone | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCOc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
|
Cc1c(N2C(=O)c3cccc4cccc(c34)C2=O)c(=O)n(-c2ccccc2)n1C | 0 | valid | Cc1c(N2C(=O)c3cccc4cccc(c34)C2=O)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][O][C] | RYADUHJRXKVSOM-UHFFFAOYSA-N | 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The compound with the SMILES representation of Cc1c(N2C(=O)c3cccc4cccc(c34)C2=O)c(=O)n(-c2ccccc2)n1C is not a potentiator of the ER-alpha-coact. binding. |
|
Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c(C)c1 | 0 | valid | Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][O][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][O] | FXYGUSNLJUAEPP-UHFFFAOYSA-N | 2-[[5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c(C)c1 is not a potentiator of the ER-alpha-coact. binding. |
|
COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)Cc2ccco2)cc1 | 0 | valid | COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)Cc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][O] | BQYBBJGQSOZKRV-UHFFFAOYSA-N | N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)Cc2ccco2)cc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
|
CCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1 | 0 | valid | CCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][C] | YFGFPAPGYSYVQU-UHFFFAOYSA-N | ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecule with the SMILES CCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
|
O=c1c2c(-c3cccs3)csc2ncn1-c1ccccc1 | 0 | valid | O=c1c2c(-c3cccs3)csc2ncn1-c1ccccc1 | [O][=C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][S][C][=Ring1][#Branch2][N][=C][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | HFQWXVVHHPYILW-UHFFFAOYSA-N | 3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical with the SMILES O=c1c2c(-c3cccs3)csc2ncn1-c1ccccc1 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
|
COc1cc2c(cc1NCc1ccc3c(c1)OCO3)oc1ccccc12 | 0 | valid | COc1cc2c(cc1NCc1ccc3c(c1)OCO3)oc1ccccc12 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | ITSBZBAAEDRNAC-UHFFFAOYSA-N | N-(1,3-benzodioxol-5-ylmethyl)-2-methoxydibenzofuran-3-amine | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES COc1cc2c(cc1NCc1ccc3c(c1)OCO3)oc1ccccc12 is not a potentiator of the estrogen receptor-alpha-coactivator binding. |
|
COc1ccc2c(CC(=O)N(C)CC3COc4ccccc4O3)coc2c1 | 0 | valid | COc1ccc2c(CC(=O)N(C)CC3COc4ccccc4O3)coc2c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][O][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | YGRYTBJASIUBJP-UHFFFAOYSA-N | N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The molecular species with the SMILES COc1ccc2c(CC(=O)N(C)CC3COc4ccccc4O3)coc2c1 is not a potentiator of the ER-alpha-coact. binding. |
|
CCOc1ccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 | 0 | valid | CCOc1ccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | KSZKCIPVBKPLAS-UHFFFAOYSA-N | 1-(3,5-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide | The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} is {MUV-737#not &NULL}{MUV-737__names__noun}. | The chemical compound with the SMILES representation of CCOc1ccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 is not a potentiator of the ER-alpha-coact. binding. |
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