 | | TZQ | | Name: | 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid | | Formula: | C12 H8 Cl F O4 | | SMILES: | OC(=O)c1oc(COc2ccc(F)c(Cl)c2)cc1 | | InChi: | InChI=1S/C12H8ClFO4/c13-9-5-7(1-3-10(9)14)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16) | | Definition date: | 2021-01-15 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid |
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 | | U0W | | Name: | 5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid | | Formula: | C15 H14 O4 | | SMILES: | OC(=O)c1oc(COc2ccc3CCCc3c2)cc1 | | InChi: | InChI=1S/C15H14O4/c16-15(17)14-7-6-13(19-14)9-18-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9H2,(H,16,17) | | Synonyms: | 5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid | | Definition date: | 2021-01-16 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid |
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 | | U1E | | Name: | ~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine | | Formula: | C14 H18 N2 | | SMILES: | CN(C)c1cccc2cccc(N(C)C)c12 | | InChi: | InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3 | | Definition date: | 2021-01-18 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | ~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine |
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 | | U1Q | | Name: | 5-fluoranylpyridin-2-amine | | Formula: | C5 H5 F N2 | | SMILES: | Nc1ccc(F)cn1 | | InChi: | InChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8) | | Definition date: | 2021-01-18 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 5-fluoranylpyridin-2-amine |
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 | | U1Z | | Name: | 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile | | Formula: | C20 H19 N7 | | SMILES: | Cn1cc(CCn2cnc(c3cnn(C)c3)c2c4ccc(cc4)C#N)cn1 | | InChi: | InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3 | | Synonyms: | BAZ2-ICR | | Definition date: | 2021-01-18 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile |
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 | | U2E | | Name: | methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate | | Formula: | C25 H31 N3 O6 | | SMILES: | CCOc1ccc(cc1NC(=O)c2ccc(OCCN3CCNCC3)c(c2)C(=O)OC)C(C)=O | | InChi: | InChI=1S/C25H31N3O6/c1-4-33-23-8-5-18(17(2)29)16-21(23)27-24(30)19-6-7-22(20(15-19)25(31)32-3)34-14-13-28-11-9-26-10-12-28/h5-8,15-16,26H,4,9-14H2,1-3H3,(H,27,30) | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate |
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 | | U2K | | Name: | 1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone | | Formula: | C16 H15 N3 O2 | | SMILES: | CC(=O)n1cc(c2ccccc12)c3c(C)nn4CCOc34 | | InChi: | InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3 | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone |
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 | | U2Q | | Name: | 2-[(3-Nitro-2-pyridyl)thio]acetic acid | | Formula: | C7 H6 N2 O4 S | | SMILES: | OC(=O)CSc1ncccc1[N+]([O-])=O | | InChi: | InChI=1S/C7H6N2O4S/c10-6(11)4-14-7-5(9(12)13)2-1-3-8-7/h1-3H,4H2,(H,10,11) | | Synonyms: | 2-[3-[bis(oxidanyl)amino]pyridin-2-yl]sulfanylethanoic acid | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 2-(3-nitropyridin-2-yl)sulfanylethanoic acid |
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 | | U2T | | Name: | 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide | | Formula: | C13 H16 N4 O2 | | SMILES: | CC(C)(C)c1ccc(cc1)c2noc(n2)C(=O)NN | | InChi: | InChI=1S/C13H16N4O2/c1-13(2,3)9-6-4-8(5-7-9)10-15-12(19-17-10)11(18)16-14/h4-7H,14H2,1-3H3,(H,16,18) | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide |
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 | | U2W | | Name: | 4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one | | Formula: | C4 H Cl2 N3 O3 | | SMILES: | ClC1=C(Cl)C(=NNC1=O)[N](=O)=O | | InChi: | InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10) | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one |
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 | | U35 | | Name: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | | Formula: | C24 H29 N5 O3 | | SMILES: | CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[CH](C(C)C)C(O)=O | | InChi: | InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 | | Synonyms: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid |
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 | | U3N | | Name: | 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea | | Formula: | C13 H12 F N3 O2 S Se | | SMILES: | N[S](=O)(=O)c1ccc(NC(=[Se])Nc2ccc(F)cc2)cc1 | | InChi: | InChI=1S/C13H12FN3O2SSe/c14-9-1-3-10(4-2-9)16-13(21)17-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,21) | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea |
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 | | U3Q | | Name: | 1-Naphthalenepentanoic acid | | Formula: | C15 H16 O2 | | SMILES: | OC(=O)CCCCc1cccc2ccccc12 | | InChi: | InChI=1S/C15H16O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h1,3,5-6,8-10H,2,4,7,11H2,(H,16,17) | | Synonyms: | 5-naphthalen-1-ylpentanoic acid | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 5-naphthalen-1-ylpentanoic acid |
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 | | U3T | | Name: | 6-(2-prop-2-ynoxyphenyl)hexanoic acid | | Formula: | C15 H18 O3 | | SMILES: | OC(=O)CCCCCc1ccccc1OCC#C | | InChi: | InChI=1S/C15H18O3/c1-2-12-18-14-10-7-6-9-13(14)8-4-3-5-11-15(16)17/h1,6-7,9-10H,3-5,8,11-12H2,(H,16,17) | | Synonyms: | Benzenehexanoic acid, 2-(2-propyn-1-yloxy)- | | Definition date: | 2021-01-19 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 6-(2-prop-2-ynoxyphenyl)hexanoic acid |
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 | | U3W | | Name: | 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione | | Formula: | C10 H10 N2 O2 S | | SMILES: | CN1SC(=O)N(Cc2ccccc2)C1=O | | InChi: | InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 | | Definition date: | 2021-01-20 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione |
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 | | U4K | | Name: | 2-isoquinolin-1-ylsulfanylethanoic acid | | Formula: | C11 H9 N O2 S | | SMILES: | OC(=O)CSc1nccc2ccccc12 | | InChi: | InChI=1S/C11H9NO2S/c13-10(14)7-15-11-9-4-2-1-3-8(9)5-6-12-11/h1-6H,7H2,(H,13,14) | | Synonyms: | (Isoquinolin-1-ylsulfanyl)-acetic acid | | Definition date: | 2021-01-21 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 2-isoquinolin-1-ylsulfanylethanoic acid |
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 | | U4T | | Name: | 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid | | Formula: | C13 H10 O2 S | | SMILES: | OC(=O)c1sc2c(CCc3ccccc23)c1 | | InChi: | InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15) | | Synonyms: | 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid | | Definition date: | 2021-01-21 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid |
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 | | U58 | | Name: | 3-(quinazolin-4-ylsulfanyl)propanoic acid | | Formula: | C11 H10 N2 O2 S | | SMILES: | OC(=O)CCSc1ncnc2ccccc12 | | InChi: | InChI=1S/C11H10N2O2S/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11/h1-4,7H,5-6H2,(H,14,15) | | Synonyms: | 3-quinazolin-4-ylsulfanylpropanoic acid | | Definition date: | 2021-01-21 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 3-quinazolin-4-ylsulfanylpropanoic acid |
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 | | U5B | | Name: | 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid | | Formula: | C14 H12 O2 S | | SMILES: | OC(=O)CSc1ccc2CCc3cccc1c23 | | InChi: | InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16) | | Synonyms: | (Acenaphthen-5-ylsulfanyl)-acetic acid | | Definition date: | 2021-01-21 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid |
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 | | U5E | | Name: | N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide | | Formula: | C14 H13 N O S | | SMILES: | CNC(=O)c1sc2c(CCc3ccccc23)c1 | | InChi: | InChI=1S/C14H13NOS/c1-15-14(16)12-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12/h2-5,8H,6-7H2,1H3,(H,15,16) | | Synonyms: | ~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide | | Definition date: | 2021-01-22 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | ~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide |
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 | | U5H | | Name: | (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one | | Formula: | C10 H12 N2 O | | SMILES: | CN1[CH](CCC1=O)c2cccnc2 | | InChi: | InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 | | Definition date: | 2021-01-22 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one |
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 | | U5T | | Name: | (4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one | | Formula: | C16 H15 N3 O2 | | SMILES: | Cn1cc(cn1)C=C2N=C(OC2=O)c3ccc(C)c(C)c3 | | InChi: | InChI=1S/C16H15N3O2/c1-10-4-5-13(6-11(10)2)15-18-14(16(20)21-15)7-12-8-17-19(3)9-12/h4-9H,1-3H3/b14-7+ | | Definition date: | 2021-01-22 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | (4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one |
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 | | U5Z | | Name: | 1-[(4-fluorophenyl)amino]thiourea | | Formula: | C7 H8 F N3 S | | SMILES: | NC(=S)NNc1ccc(F)cc1 | | InChi: | InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12) | | Definition date: | 2021-01-25 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 1-[(4-fluorophenyl)amino]thiourea |
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 | | U62 | | Name: | 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid | | Formula: | C12 H8 O3 S | | SMILES: | OC(=O)c1sc2c(COc3ccccc23)c1 | | InChi: | InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14) | | Definition date: | 2021-01-25 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid |
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 | | U65 | | Name: | methyl 3~{a},4-dihydro-3~{H}-thieno[3,2-c]chromene-2-carboxylate | | Formula: | C13 H10 O3 S | | SMILES: | COC(=O)c1sc2c(COc3ccccc23)c1 | | InChi: | InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3 | | Definition date: | 2021-01-25 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | methyl 4~{H}-thieno[3,2-c]chromene-2-carboxylate |
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