 | | O5P | | Name: | [(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone | | Formula: | C21 H22 N4 O2 | | SMILES: | c4(cc(c3cc(C(N2CCOCC2Cc1ccccc1)=O)nn3)ncc4)C | | InChi: | InChI=1S/C21H22N4O2/c1-15-7-8-22-18(11-15)19-13-20(24-23-19)21(26)25-9-10-27-14-17(25)12-16-5-3-2-4-6-16/h2-8,11,13,17H,9-10,12,14H2,1H3,(H,23,24)/t17-/m1/s1 | | Definition date: | 2019-06-11 | | Last modified: | 2020-03-06 | | Release date: | 2020-03-11 | | Identifier: | [(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone |
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 | | PWV | | Name: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile | | Formula: | C18 H15 Cl N4 O2 | | SMILES: | O=C1C(=Cc2c(N1)ccc(c2)Cl)C(NC=3C(N(C(=CC=3)C#N)C)=O)C | | InChi: | InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1 | | Definition date: | 2019-08-27 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile |
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 | | MZK | | Name: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one | | Formula: | C16 H12 F3 N O | | SMILES: | FC(F)(F)c1ccc(cc1)c2ccc3NC(=O)CCc3c2 | | InChi: | InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21) | | Definition date: | 2019-10-29 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one |
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 | | M0W | | Name: | ~{N}-methylquinazolin-4-amine | | Formula: | C9 H9 N3 | | SMILES: | CNc1ncnc2ccccc12 | | InChi: | InChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methylquinazolin-4-amine |
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 | | M1H | | Name: | ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine | | Formula: | C10 H14 N2 | | SMILES: | CNc1ccnc2CCCCc12 | | InChi: | InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12) | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine |
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 | | M1Q | | Name: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione | | Formula: | C8 H10 N2 O2 | | SMILES: | O=C1NC(=O)[CH]2CCCCC2=N1 | | InChi: | InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1 | | Definition date: | 2019-10-02 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione |
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 | | M5N | | Name: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one | | Formula: | C11 H16 N2 O | | SMILES: | CC(C)C1=NC(=O)N=C2CCCC[CH]12 | | InChi: | InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1 | | Definition date: | 2019-10-03 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one |
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 | | J9Q | | Name: | 2-(1,3-oxazol-5-yl)aniline | | Formula: | C9 H8 N2 O | | SMILES: | Nc1ccccc1c2ocnc2 | | InChi: | InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2 | | Definition date: | 2019-02-12 | | Last modified: | 2020-02-28 | | Release date: | 2020-03-04 | | Identifier: | 2-(1,3-oxazol-5-yl)aniline |
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 | | Y8A | | Name: | 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline | | Formula: | C20 H19 Cl N2 O | | SMILES: | c1c2c(ccc1OC)n(c3c2CCN=C3C)Cc4ccc(cc4)Cl | | InChi: | InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3 | | Definition date: | 2019-11-29 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline |
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 | | OOY | | Name: | N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide | | Formula: | C27 H29 N3 O4 | | SMILES: | c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5 | | InChi: | InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31) | | Definition date: | 2019-07-02 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide |
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 | | LW7 | | Name: | 1-(2-phenylethyl)-3,4-dihydroisoquinoline | | Formula: | C17 H17 N | | SMILES: | C1Cc2ccccc2C(=N1)CCc3ccccc3 | | InChi: | InChI=1S/C17H17N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9H,10-13H2 | | Definition date: | 2019-03-05 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 1-(2-phenylethyl)-3,4-dihydroisoquinoline |
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 | | BOF | | Name: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C23 H25 N5 O | | SMILES: | CN5c3c(cc(c1nnc(n1c2ccc(cc2)C)C)cc3)N(C4CC4)C(C)C5=O | | InChi: | InChI=1S/C23H25N5O/c1-14-5-8-19(9-6-14)28-16(3)24-25-22(28)17-7-12-20-21(13-17)27(18-10-11-18)15(2)23(29)26(20)4/h5-9,12-13,15,18H,10-11H2,1-4H3/t15-/m1/s1 | | Definition date: | 2019-02-26 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one |
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 | | BQ0 | | Name: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C31 H39 N7 O2 | | SMILES: | CC6N(C1CCCC1)c5cc(c3nc(C(=O)N2CCN(CC2)C)nn3c4c(C)cc(cc4)C)ccc5N(C6=O)C | | InChi: | InChI=1S/C31H39N7O2/c1-20-10-12-25(21(2)18-20)38-29(32-28(33-38)31(40)36-16-14-34(4)15-17-36)23-11-13-26-27(19-23)37(24-8-6-7-9-24)22(3)30(39)35(26)5/h10-13,18-19,22,24H,6-9,14-17H2,1-5H3/t22-/m1/s1 | | Definition date: | 2019-02-26 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one |
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 | | BW6 | | Name: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one | | Formula: | C17 H19 N3 O | | SMILES: | C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)c4[nH]ccc4 | | InChi: | InChI=1S/C17H19N3O/c1-11-17(21)19(2)15-8-5-12(14-4-3-9-18-14)10-16(15)20(11)13-6-7-13/h3-5,8-11,13,18H,6-7H2,1-2H3/t11-/m1/s1 | | Definition date: | 2019-03-14 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one |
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 | | JB5 | | Name: | quinoxalin-6-amine | | Formula: | C8 H7 N3 | | SMILES: | Nc1ccc2nccnc2c1 | | InChi: | InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | quinoxalin-6-amine |
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 | | JBQ | | Name: | 5-fluoranyl-3,4-dihydroquinazolin-4-ol | | Formula: | C8 H7 F N2 O | | SMILES: | O[CH]1NC=Nc2cccc(F)c12 | | InChi: | InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4,8,12H,(H,10,11)/t8-/m0/s1 | | Definition date: | 2019-02-13 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | 5-fluoranyl-3,4-dihydroquinazolin-4-ol |
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 | | MKZ | | Name: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one | | Formula: | C23 H23 Cl N6 O | | SMILES: | CCC(=O)N1CCN(CC1)c2ncnc3cc(c(Cl)cc23)c4c(C)ccc5[nH]ncc45 | | InChi: | InChI=1S/C23H23ClN6O/c1-3-21(31)29-6-8-30(9-7-29)23-16-10-18(24)15(11-20(16)25-13-26-23)22-14(2)4-5-19-17(22)12-27-28-19/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,28) | | Definition date: | 2019-10-17 | | Last modified: | 2020-02-14 | | Release date: | 2020-02-19 | | Identifier: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one |
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 | | 0F2 | | Name: | 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol | | Formula: | C24 H30 N4 O3 S | | SMILES: | CCC(O)(CC)c1cc2[nH]c(cc2c(OCCN3CCOCC3)c1)c4n[nH]c5ccsc45 | | InChi: | InChI=1S/C24H30N4O3S/c1-3-24(29,4-2)16-13-19-17(21(14-16)31-11-8-28-6-9-30-10-7-28)15-20(25-19)22-23-18(26-27-22)5-12-32-23/h5,12-15,25,29H,3-4,6-11H2,1-2H3,(H,26,27) | | Definition date: | 2011-12-30 | | Last modified: | 2020-02-12 | | Identifier: | 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol |
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 | | WI5 | | Name: | {(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone | | Formula: | C27 H26 N2 O3 | | SMILES: | c2ccc1cccc(c1c2)C(=O)c3c(C)n5C(COc4cccc3c45)CN6CCOCC6 | | InChi: | InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | | Definition date: | 2019-07-15 | | Last modified: | 2020-02-07 | | Release date: | 2020-02-12 | | Identifier: | {(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone |
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 | | QKG | | Name: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide | | Formula: | C17 H19 N3 O2 | | SMILES: | C(Cn3c1c(ccc(c1)OC)c2ccnc(C)c23)CC(=O)N | | InChi: | InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21) | | Definition date: | 2019-11-06 | | Last modified: | 2020-02-07 | | Release date: | 2020-02-12 | | Identifier: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide |
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 | | KNI | | Name: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide | | Formula: | C33 H41 N5 O6 S2 | | SMILES: | O=C(NC(C)(C)C)C4N(C(=O)C(O)C(NC(=O)C(NC(=O)COc2c1ccncc1ccc2)CSC)Cc3ccccc3)CSC4 | | InChi: | InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1 | | Synonyms: | KNI-272 | | Definition date: | 1999-07-08 | | Last modified: | 2020-01-26 | | Identifier: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide |
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 | | E69 | | Name: | N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide | | Formula: | C26 H49 N11 O6 | | SMILES: | O=C(N)C1N(C(=O)C(NC(=O)CC(O)C(=O)NC(C(=O)NCCCCNC(=[N@H])N)CC(C)C)CCCNC(=[N@H])N)CCC1 | | InChi: | InChI=1S/C26H49N11O6/c1-15(2)13-17(22(41)32-9-3-4-10-33-25(28)29)36-23(42)19(38)14-20(39)35-16(7-5-11-34-26(30)31)24(43)37-12-6-8-18(37)21(27)40/h15-19,38H,3-14H2,1-2H3,(H2,27,40)(H,32,41)(H,35,39)(H,36,42)(H4,28,29,33)(H4,30,31,34)/t16-,17+,18-,19-/m0/s1 | | Definition date: | 2014-05-15 | | Last modified: | 2020-01-26 | | Release date: | 2014-11-05 | | Identifier: | N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide |
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 | | 63R | | Name: | N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide | | Formula: | C24 H29 N3 O3 | | SMILES: | C4N(C(=O)c1ccc(cc1)N2CCOCC2)CC(N(C(C)=O)c3ccccc3)CC4 | | InChi: | InChI=1S/C24H29N3O3/c1-19(28)27(22-6-3-2-4-7-22)23-8-5-13-26(18-23)24(29)20-9-11-21(12-10-20)25-14-16-30-17-15-25/h2-4,6-7,9-12,23H,5,8,13-18H2,1H3/t23-/m1/s1 | | Definition date: | 2019-07-29 | | Last modified: | 2020-01-24 | | Release date: | 2020-01-29 | | Identifier: | N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide |
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 | | PKG | | Name: | (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid | | Formula: | C28 H28 N4 O3 | | SMILES: | c12CCN(Cc1cc(cc2)C(c4c(C)c3nnn(c3cc4)CC)CC(O)=O)C(=O)c5ccccc5 | | InChi: | InChI=1S/C28H28N4O3/c1-3-32-25-12-11-23(18(2)27(25)29-30-32)24(16-26(33)34)21-10-9-19-13-14-31(17-22(19)15-21)28(35)20-7-5-4-6-8-20/h4-12,15,24H,3,13-14,16-17H2,1-2H3,(H,33,34)/t24-/m0/s1 | | Definition date: | 2019-08-12 | | Last modified: | 2020-01-10 | | Release date: | 2020-01-15 | | Identifier: | (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid |
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 | | 08A | | Name: | (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid | | Formula: | C29 H30 N4 O3 | | SMILES: | n5c4c(C)c(C(CC(O)=O)c2cc1CN(CCc1c(c2)C)C(=O)c3ccccc3)ccc4n(CC)n5 | | InChi: | InChI=1S/C29H30N4O3/c1-4-33-26-11-10-24(19(3)28(26)30-31-33)25(16-27(34)35)21-14-18(2)23-12-13-32(17-22(23)15-21)29(36)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1 | | Definition date: | 2019-08-12 | | Last modified: | 2020-01-10 | | Release date: | 2020-01-15 | | Identifier: | (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid |
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