INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(13892, '', '2β-D-Tetraacetoxyglucopyranosyl -1,3,6,7-tetraacetoxy-9H-xanthen-9-one', 'Aromatics', 'Xanthones', '', '[CH3:106002][C:106001](=O)O[CH2:106][C@H:105]4O[C@@H:101]([c:2]3[c:3](O[C:3001]([CH3:3002])=O)[cH:4][c:4001]2o[c:10001]1[cH:5][c:6](O[C:6001]([CH3:6002])=O)[c:7](O[C:7001]([CH3:7002])=O)[cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O[C:1001]([CH3:1002])=O)[C@H:102](O[C:102001]([CH3:102002])=O)[C@@H:103](O[C:103001]([CH3:103002])=O)[C@@H:104]4O[C:104001]([CH3:104002])=O', 'CC(=O)OC[C@H]4O[C@@H](c3c(OC(C)=O)cc2oc1cc(OC(C)=O)c(OC(C)=O)cc1c(=O)c2c3OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O', '[CH3:20][C:167](=O)O[CH2:62][C@H:77]4O[C@@H:72]([c:118]3[c:154](O[C:170]([CH3:21])=O)[cH:112][c:156]2o[c:148]1[cH:113][c:153](O[C:168]([CH3:21])=O)[c:139](O[C:168]([CH3:21])=O)[cH:121][c:120]1[c:174](=O)[c:112]2[c:153]3O[C:170]([CH3:20])=O)[C@H:70](O[C:170]([CH3:21])=O)[C@@H:75](O[C:170]([CH3:21])=O)[C@@H:68]4O[C:168]([CH3:21])=O', '54 57 C:106002 18.96 -5.70 C:6002 8.17 -15.16 C:7002 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(13903, 'Paecilin B', '', 'Chromans', 'Chromones', '', '[CH3:2002]O[C:2001](=O)[C:2]3([CH:201]1O[C:204](=O)[CH2:203][CH:202]1[CH3:205])[CH2:3][C:4](=O)[c:10]2[c:5](O)[cH:6][cH:7][cH:8][c:9]2O3', 'COC(=O)C3(C1OC(=O)CC1C)CC(=O)c2c(O)cccc2O3', '[CH3:53]O[C:169](=O)[C:85]3([CH:83]1O[C:175](=O)[CH2:37][CH:34]1[CH3:15])[CH2:40][C:195](=O)[c:130]2[c:162](O)[cH:110][cH:139][cH:108][c:155]2O3', '23 25 C:2002 19.35 -8.12 C:205 18.32 -14.00 O 22.15 -10.89 O 16.02 -14.67 O 16.62 -8.83 O 13.62 -14.67 C:7 12.38 -11.17 C:6 12.38 -12.57 C:8 13.62 -10.47 C:203 20.49 -12.76 C:3 17.23 -12.57 O 18.96 -9.47 O 19.67 -10.64 O 16.02 -10.47 C:204 20.85 -11.40 C:4 16.02 -13.27 C:2001 17.60 -9.82 C:5 13.62 -13.27 C:9 14.82 -11.17 C:10 14.82 -12.57 C:202 19.09 -12.83 C:201 18.59 -11.53 C:2 17.23 -11.17 1 12 1 2 21 1 3 15 2 4 16 2 5 17 2 6 18 1 7 8 1 7 9 2 8 18 2 9 19 1 10 15 1 10 21 1 11 16 1 11 23 1 12 17 1 13 15 1 13 22 1 14 19 1 14 23 1 16 20 1 17 23 1 18 20 1 19 20 2 21 22 1 22 23 1', '23 25 C 19.35 -8.12 C 18.32 -14.00 O 22.15 -10.89 O 16.02 -14.67 O 16.62 -8.83 O 13.62 -14.67 C 12.38 -11.17 C 12.38 -12.57 C 13.62 -10.47 C 20.49 -12.76 C 17.23 -12.57 O 18.96 -9.47 O 19.67 -10.64 O 16.02 -10.47 C 20.85 -11.40 C 16.02 -13.27 C 17.60 -9.82 C 13.62 -13.27 C 14.82 -11.17 C 14.82 -12.57 C 19.09 -12.83 C 18.59 -11.53 C 17.23 -11.17 1 12 1 2 21 1 3 15 2 4 16 2 5 17 2 6 18 1 7 8 1 7 9 2 8 18 2 9 19 1 10 15 1 10 21 1 11 16 1 11 23 1 12 17 1 13 15 1 13 22 1 14 19 1 14 23 1 16 20 1 17 23 1 18 20 1 19 20 2 21 22 1 22 23 1', '23 25 C:53 19.35 -8.12 C:15 18.32 -14.00 O 22.15 -10.89 O 16.02 -14.67 O 16.62 -8.83 O 13.62 -14.67 C:139 12.38 -11.17 C:110 12.38 -12.57 C:108 13.62 -10.47 C:37 20.49 -12.76 C:40 17.23 -12.57 O 18.96 -9.47 O 19.67 -10.64 O 16.02 -10.47 C:175 20.85 -11.40 C:195 16.02 -13.27 C:169 17.60 -9.82 C:162 13.62 -13.27 C:155 14.82 -11.17 C:130 14.82 -12.57 C:34 19.09 -12.83 C:83 18.59 -11.53 C:85 17.23 -11.17 1 12 1 2 21 1 3 15 2 4 16 2 5 17 2 6 18 1 7 8 1 7 9 2 8 18 2 9 19 1 10 15 1 10 21 1 11 16 1 11 23 1 12 17 1 13 15 1 13 22 1 14 19 1 14 23 1 16 20 1 17 23 1 18 20 1 19 20 2 21 22 1 22 23 1', 'C16H16O7', 320.167, 'C', 'mrc07_777_2', 3572, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13904, 'Assiguxantona-B trimethyl ether', '', 'Aromatics', 'Xanthones', '', '[CH3:6001]O[c:6]3[cH:5][c:10001]2o[c:4001]1[cH:4][c:3](O[CH3:3001])[c:2]([CH2:101][CH:102]=[C:103]([CH3:104])[CH3:105])[c:1](O)[c:9001]1[c:9](=O)[c:8001]2[cH:8][c:7]3O[CH3:7001]', 'COc3cc2oc1cc(OC)c(CC=C(C)C)c(O)c1c(=O)c2cc3OC', '[CH3:56]O[c:155]3[cH:99][c:152]2o[c:156]1[cH:89][c:164](O[CH3:56])[c:112]([CH2:21][CH:122]=[C:132]([CH3:18])[CH3:26])[c:159](O)[c:104]1[c:180](=O)[c:114]2[cH:105][c:147]3O[CH3:56]', '27 29 C:6001 10.63 -13.21 C:7001 11.86 -9.65 C:3001 21.48 -15.28 C:104 23.92 -9.65 C:105 22.73 -7.58 O 16.66 -9.65 O 19.10 -9.65 C:102 21.48 -9.65 C:5 14.22 -13.89 C:4 19.10 -13.89 C:8 14.22 -11.05 C:101 21.48 -11.05 O 11.86 -13.89 O 11.86 -11.05 O 21.48 -13.89 O 16.66 -13.89 C:103 22.73 -8.98 C:1 19.10 -11.05 C:6 13.03 -13.21 C:7 13.03 -11.77 C:3 20.30 -13.21 C:2 20.30 -11.77 C:9 16.66 -11.05 C:10001 15.45 -13.21 C:4001 17.88 -13.21 C:8001 15.45 -11.77 C:9001 17.88 -11.77 1 13 1 2 14 1 3 15 1 4 17 1 5 17 1 6 23 2 7 18 1 8 12 1 8 17 2 9 19 2 9 24 1 10 21 2 10 25 1 11 20 2 11 26 1 12 22 1 13 19 1 14 20 1 15 21 1 16 24 1 16 25 1 18 22 2 18 27 1 19 20 1 21 22 1 23 26 1 23 27 1 24 26 2 25 27 2', '27 29 C 10.63 -13.21 C 11.86 -9.65 C 21.48 -15.28 C 23.92 -9.65 C 22.73 -7.58 O 16.66 -9.65 O 19.10 -9.65 C 21.48 -9.65 C 14.22 -13.89 C 19.10 -13.89 C 14.22 -11.05 C 21.48 -11.05 O 11.86 -13.89 O 11.86 -11.05 O 21.48 -13.89 O 16.66 -13.89 C 22.73 -8.98 C 19.10 -11.05 C 13.03 -13.21 C 13.03 -11.77 C 20.30 -13.21 C 20.30 -11.77 C 16.66 -11.05 C 15.45 -13.21 C 17.88 -13.21 C 15.45 -11.77 C 17.88 -11.77 1 13 1 2 14 1 3 15 1 4 17 1 5 17 1 6 23 2 7 18 1 8 12 1 8 17 2 9 19 2 9 24 1 10 21 2 10 25 1 11 20 2 11 26 1 12 22 1 13 19 1 14 20 1 15 21 1 16 24 1 16 25 1 18 22 2 18 27 1 19 20 1 21 22 1 23 26 1 23 27 1 24 26 2 25 27 2', '27 29 C:56 10.63 -13.21 C:56 11.86 -9.65 C:56 21.48 -15.28 C:18 23.92 -9.65 C:26 22.73 -7.58 O 16.66 -9.65 O 19.10 -9.65 C:122 21.48 -9.65 C:99 14.22 -13.89 C:89 19.10 -13.89 C:105 14.22 -11.05 C:21 21.48 -11.05 O 11.86 -13.89 O 11.86 -11.05 O 21.48 -13.89 O 16.66 -13.89 C:132 22.73 -8.98 C:159 19.10 -11.05 C:155 13.03 -13.21 C:147 13.03 -11.77 C:164 20.30 -13.21 C:112 20.30 -11.77 C:180 16.66 -11.05 C:152 15.45 -13.21 C:156 17.88 -13.21 C:114 15.45 -11.77 C:104 17.88 -11.77 1 13 1 2 14 1 3 15 1 4 17 1 5 17 1 6 23 2 7 18 1 8 12 1 8 17 2 9 19 2 9 24 1 10 21 2 10 25 1 11 20 2 11 26 1 12 22 1 13 19 1 14 20 1 15 21 1 16 24 1 16 25 1 18 22 2 18 27 1 19 20 1 21 22 1 23 26 1 23 27 1 24 26 2 25 27 2', 'C21H22O6', 370.221, 'M', 'qn03_157_1A', 3573, '', '', '1', 47, NULL, NULL),
(13905, 'Assiguxantona-B', '', 'Aromatics', 'Xanthones', '', '[CH3:105][C:103]([CH3:104])=[CH:102][CH2:101][c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[cH:5][c:6](O)[c:7](O)[cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'CC(C)=CCc3c(O)cc2oc1cc(O)c(O)cc1c(=O)c2c3O', '[CH3:26][C:132]([CH3:18])=[CH:122][CH2:21][c:112]3[c:164](O)[cH:89][c:156]2o[c:152]1[cH:99][c:155](O)[c:147](O)[cH:105][c:114]1[c:180](=O)[c:104]2[c:159]3O', '24 26 C:105 22.11 -8.25 C:104 23.30 -10.32 O 16.04 -10.32 O 11.24 -14.56 O 11.24 -11.72 O 20.86 -14.56 O 18.48 -10.32 C:102 20.86 -10.32 C:5 13.60 -14.56 C:4 18.48 -14.56 C:8 13.60 -11.72 C:101 20.86 -11.72 O 16.04 -14.56 C:103 22.11 -9.65 C:6 12.41 -13.88 C:7 12.41 -12.44 C:3 19.68 -13.88 C:1 18.48 -11.72 C:2 19.68 -12.44 C:9 16.04 -11.72 C:10001 14.83 -13.88 C:4001 17.26 -13.88 C:8001 14.83 -12.44 C:9001 17.26 -12.44 1 14 1 2 14 1 3 20 2 4 15 1 5 16 1 6 17 1 7 18 1 8 12 1 8 14 2 9 15 2 9 21 1 10 17 2 10 22 1 11 16 2 11 23 1 12 19 1 13 21 1 13 22 1 15 16 1 17 19 1 18 19 2 18 24 1 20 23 1 20 24 1 21 23 2 22 24 2', '24 26 C 22.11 -8.25 C 23.30 -10.32 O 16.04 -10.32 O 11.24 -14.56 O 11.24 -11.72 O 20.86 -14.56 O 18.48 -10.32 C 20.86 -10.32 C 13.60 -14.56 C 18.48 -14.56 C 13.60 -11.72 C 20.86 -11.72 O 16.04 -14.56 C 22.11 -9.65 C 12.41 -13.88 C 12.41 -12.44 C 19.68 -13.88 C 18.48 -11.72 C 19.68 -12.44 C 16.04 -11.72 C 14.83 -13.88 C 17.26 -13.88 C 14.83 -12.44 C 17.26 -12.44 1 14 1 2 14 1 3 20 2 4 15 1 5 16 1 6 17 1 7 18 1 8 12 1 8 14 2 9 15 2 9 21 1 10 17 2 10 22 1 11 16 2 11 23 1 12 19 1 13 21 1 13 22 1 15 16 1 17 19 1 18 19 2 18 24 1 20 23 1 20 24 1 21 23 2 22 24 2', '24 26 C:26 22.11 -8.25 C:18 23.30 -10.32 O 16.04 -10.32 O 11.24 -14.56 O 11.24 -11.72 O 20.86 -14.56 O 18.48 -10.32 C:122 20.86 -10.32 C:99 13.60 -14.56 C:89 18.48 -14.56 C:105 13.60 -11.72 C:21 20.86 -11.72 O 16.04 -14.56 C:132 22.11 -9.65 C:155 12.41 -13.88 C:147 12.41 -12.44 C:164 19.68 -13.88 C:159 18.48 -11.72 C:112 19.68 -12.44 C:180 16.04 -11.72 C:152 14.83 -13.88 C:156 17.26 -13.88 C:114 14.83 -12.44 C:104 17.26 -12.44 1 14 1 2 14 1 3 20 2 4 15 1 5 16 1 6 17 1 7 18 1 8 12 1 8 14 2 9 15 2 9 21 1 10 17 2 10 22 1 11 16 2 11 23 1 12 19 1 13 21 1 13 22 1 15 16 1 17 19 1 18 19 2 18 24 1 20 23 1 20 24 1 21 23 2 22 24 2', 'C18H16O6', 328.189, 'A', 'qn03_157_1', 3573, '', '', '1', 47, NULL, NULL),
(13906, '1,3,5,6-tetra-Hidroxi-2-prenilxantona', '', 'Aromatics', 'Xanthones', '', '[CH3:104][C:103]([CH3:105])=[CH:102][CH2:101][c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[c:5](O)[c:6](O)[cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'CC(C)=CCc3c(O)cc2oc1c(O)c(O)ccc1c(=O)c2c3O', '[CH3:18][C:132]([CH3:26])=[CH:124][CH2:23][c:111]3[c:162](O)[cH:94][c:154]2o[c:153]1[c:144](O)[c:133](O)[cH:114][cH:117][c:112]1[c:183](=O)[c:109]2[c:164]3O', '24 26 C:104 23.26 -9.64 C:105 22.07 -7.57 O 16.02 -9.64 O 11.22 -13.87 O 20.84 -13.87 O 13.61 -15.27 O 18.46 -9.64 C:102 20.84 -9.64 C:7 12.39 -11.75 C:8 13.61 -11.03 C:4 18.46 -13.87 C:101 20.84 -11.03 O 16.02 -13.87 C:103 22.07 -8.97 C:6 12.39 -13.19 C:3 19.66 -13.19 C:5 13.61 -13.87 C:1 18.46 -11.03 C:2 19.66 -11.75 C:9 16.02 -11.03 C:4001 17.24 -13.19 C:8001 14.81 -11.75 C:10001 14.81 -13.19 C:9001 17.24 -11.75 1 14 1 2 14 1 3 20 2 4 15 1 5 16 1 6 17 1 7 18 1 8 12 1 8 14 2 9 10 2 9 15 1 10 22 1 11 16 2 11 21 1 12 19 1 13 21 1 13 23 1 15 17 2 16 19 1 17 23 1 18 19 2 18 24 1 20 22 1 20 24 1 21 24 2 22 23 2', '24 26 C 23.26 -9.64 C 22.07 -7.57 O 16.02 -9.64 O 11.22 -13.87 O 20.84 -13.87 O 13.61 -15.27 O 18.46 -9.64 C 20.84 -9.64 C 12.39 -11.75 C 13.61 -11.03 C 18.46 -13.87 C 20.84 -11.03 O 16.02 -13.87 C 22.07 -8.97 C 12.39 -13.19 C 19.66 -13.19 C 13.61 -13.87 C 18.46 -11.03 C 19.66 -11.75 C 16.02 -11.03 C 17.24 -13.19 C 14.81 -11.75 C 14.81 -13.19 C 17.24 -11.75 1 14 1 2 14 1 3 20 2 4 15 1 5 16 1 6 17 1 7 18 1 8 12 1 8 14 2 9 10 2 9 15 1 10 22 1 11 16 2 11 21 1 12 19 1 13 21 1 13 23 1 15 17 2 16 19 1 17 23 1 18 19 2 18 24 1 20 22 1 20 24 1 21 24 2 22 23 2', '24 26 C:18 23.26 -9.64 C:26 22.07 -7.57 O 16.02 -9.64 O 11.22 -13.87 O 20.84 -13.87 O 13.61 -15.27 O 18.46 -9.64 C:124 20.84 -9.64 C:114 12.39 -11.75 C:117 13.61 -11.03 C:94 18.46 -13.87 C:23 20.84 -11.03 O 16.02 -13.87 C:132 22.07 -8.97 C:133 12.39 -13.19 C:162 19.66 -13.19 C:144 13.61 -13.87 C:164 18.46 -11.03 C:111 19.66 -11.75 C:183 16.02 -11.03 C:154 17.24 -13.19 C:112 14.81 -11.75 C:153 14.81 -13.19 C:109 17.24 -11.75 1 14 1 2 14 1 3 20 2 4 15 1 5 16 1 6 17 1 7 18 1 8 12 1 8 14 2 9 10 2 9 15 1 10 22 1 11 16 2 11 21 1 12 19 1 13 21 1 13 23 1 15 17 2 16 19 1 17 23 1 18 19 2 18 24 1 20 22 1 20 24 1 21 24 2 22 23 2', 'C18H16O6', 328.189, 'A', 'qn03_157_2  ', 3573, '', '', '1', 47, NULL, NULL),
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(13920, '', '14α,15β-Diacetoxy-3β,7β-dibenzoyloxy-17-hydroxy-9-oxo-2βH,13βHjatropha-5E,11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[CH:5]=[C:6]([CH2:17]O)[C@H:7](O[C:7001](=O)[c:7002]1[cH:7003][cH:7004][cH:7005][cH:7006][cH:7007]1)[CH2:8][C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@@H:2]([CH3:16])[C@@H:3]3O[C:3001](=O)[c:3002]4[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]4', '[H][C@@]23C=C(CO)[C@H](OC(=O)c1ccccc1)CC(=O)[C@](C)(C)C=C[C@@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@@H]3OC(=O)c4ccccc4', '[H][C@@:44]23[CH:127]=[C:140]([CH2:63]O)[C@H:73](O[C:167](=O)[c:130]1[cH:129][cH:128][cH:133][cH:128][cH:129]1)[CH2:44][C:208](=O)[C@:49]([CH3:26])([CH3:25])[CH:133]=[CH:134][C@@H:38]([CH3:23])[C@@H:75](O[C:170]([CH3:22])=O)[C@@:92]2(O[C:170]([CH3:21])=O)[CH2:44][C@@H:38]([CH3:19])[C@@H:86]3O[C:165](=O)[c:130]4[cH:129][cH:128][cH:133][cH:128][cH:129]4', '49 52 H 16.03 -11.34 C:14002 17.05 -4.27 C:15002 14.41 -5.72 C:20 19.35 -6.68 C:16 12.77 -9.69 C:18 23.54 -10.50 C:19 23.18 -8.88 O 19.00 -5.54 O 13.58 -7.87 O 21.30 -14.93 O 12.38 -11.40 O 23.42 -12.23 O 20.74 -9.98 C:12 19.77 -9.01 C:11 21.24 -9.01 C:5 17.39 -11.40 C:7005 17.61 -18.51 C:3005 11.91 -16.55 C:7004 19.00 -18.59 C:7006 16.98 -17.27 C:3004 13.28 -16.26 C:3006 10.97 -15.51 C:7003 19.77 -17.43 C:7007 17.75 -16.10 C:3003 13.70 -14.93 C:3007 11.40 -14.19 C:17 19.35 -10.13 C:8 21.24 -12.44 C:1 15.03 -8.56 O 19.26 -13.77 O 16.85 -6.68 O 14.59 -12.23 O 15.89 -7.65 C:14001 17.61 -5.54 C:15001 14.59 -7.11 C:7001 19.91 -15.00 C:3001 13.21 -12.53 C:9 22.25 -11.40 C:6 18.79 -11.40 C:7002 19.14 -16.18 C:3002 12.77 -13.89 C:13 18.79 -7.97 C:2 14.19 -9.69 C:7 19.77 -12.44 C:14 17.39 -7.97 C:3 15.03 -10.82 C:10 22.25 -9.98 C:4 16.39 -10.42 C:15 16.39 -9.01 48 1 -2 2 34 1 3 35 1 42 4 -2 43 5 -2 47 6 -2 47 7 -1 8 34 2 9 35 2 10 36 2 11 37 2 12 38 2 13 27 1 14 15 2 14 42 1 15 47 1 16 39 2 16 48 1 17 19 2 17 20 1 18 21 2 18 22 1 19 23 1 20 24 2 21 25 1 22 26 2 23 40 2 24 40 1 25 41 2 26 41 1 27 39 1 28 38 1 28 44 1 29 43 1 29 49 1 30 36 1 44 30 -1 31 34 1 45 31 -2 32 37 1 46 32 -1 33 35 1 49 33 -1 36 40 1 37 41 1 38 47 1 39 44 1 42 45 1 43 46 1 45 49 1 46 48 1 48 49 1', '49 52 H 16.03 -11.34 C 17.05 -4.27 C 14.41 -5.72 C 19.35 -6.68 C 12.77 -9.69 C 23.54 -10.50 C 23.18 -8.88 O 19.00 -5.54 O 13.58 -7.87 O 21.30 -14.93 O 12.38 -11.40 O 23.42 -12.23 O 20.74 -9.98 C 19.77 -9.01 C 21.24 -9.01 C 17.39 -11.40 C 17.61 -18.51 C 11.91 -16.55 C 19.00 -18.59 C 16.98 -17.27 C 13.28 -16.26 C 10.97 -15.51 C 19.77 -17.43 C 17.75 -16.10 C 13.70 -14.93 C 11.40 -14.19 C 19.35 -10.13 C 21.24 -12.44 C 15.03 -8.56 O 19.26 -13.77 O 16.85 -6.68 O 14.59 -12.23 O 15.89 -7.65 C 17.61 -5.54 C 14.59 -7.11 C 19.91 -15.00 C 13.21 -12.53 C 22.25 -11.40 C 18.79 -11.40 C 19.14 -16.18 C 12.77 -13.89 C 18.79 -7.97 C 14.19 -9.69 C 19.77 -12.44 C 17.39 -7.97 C 15.03 -10.82 C 22.25 -9.98 C 16.39 -10.42 C 16.39 -9.01 48 1 -2 2 34 1 3 35 1 42 4 -2 43 5 -2 47 6 -2 47 7 -1 8 34 2 9 35 2 10 36 2 11 37 2 12 38 2 13 27 1 14 15 2 14 42 1 15 47 1 16 39 2 16 48 1 17 19 2 17 20 1 18 21 2 18 22 1 19 23 1 20 24 2 21 25 1 22 26 2 23 40 2 24 40 1 25 41 2 26 41 1 27 39 1 28 38 1 28 44 1 29 43 1 29 49 1 30 36 1 44 30 -1 31 34 1 45 31 -2 32 37 1 46 32 -1 33 35 1 49 33 -1 36 40 1 37 41 1 38 47 1 39 44 1 42 45 1 43 46 1 45 49 1 46 48 1 48 49 1', '49 52 H 16.03 -11.34 C:22 17.05 -4.27 C:21 14.41 -5.72 C:23 19.35 -6.68 C:19 12.77 -9.69 C:26 23.54 -10.50 C:25 23.18 -8.88 O 19.00 -5.54 O 13.58 -7.87 O 21.30 -14.93 O 12.38 -11.40 O 23.42 -12.23 O 20.74 -9.98 C:134 19.77 -9.01 C:133 21.24 -9.01 C:127 17.39 -11.40 C:133 17.61 -18.51 C:133 11.91 -16.55 C:128 19.00 -18.59 C:128 16.98 -17.27 C:128 13.28 -16.26 C:128 10.97 -15.51 C:129 19.77 -17.43 C:129 17.75 -16.10 C:129 13.70 -14.93 C:129 11.40 -14.19 C:63 19.35 -10.13 C:44 21.24 -12.44 C:44 15.03 -8.56 O 19.26 -13.77 O 16.85 -6.68 O 14.59 -12.23 O 15.89 -7.65 C:170 17.61 -5.54 C:170 14.59 -7.11 C:167 19.91 -15.00 C:165 13.21 -12.53 C:208 22.25 -11.40 C:140 18.79 -11.40 C:130 19.14 -16.18 C:130 12.77 -13.89 C:38 18.79 -7.97 C:38 14.19 -9.69 C:73 19.77 -12.44 C:75 17.39 -7.97 C:86 15.03 -10.82 C:49 22.25 -9.98 C:44 16.39 -10.42 C:92 16.39 -9.01 48 1 -2 2 34 1 3 35 1 42 4 -2 43 5 -2 47 6 -2 47 7 -1 8 34 2 9 35 2 10 36 2 11 37 2 12 38 2 13 27 1 14 15 2 14 42 1 15 47 1 16 39 2 16 48 1 17 19 2 17 20 1 18 21 2 18 22 1 19 23 1 20 24 2 21 25 1 22 26 2 23 40 2 24 40 1 25 41 2 26 41 1 27 39 1 28 38 1 28 44 1 29 43 1 29 49 1 30 36 1 44 30 -1 31 34 1 45 31 -2 32 37 1 46 32 -1 33 35 1 49 33 -1 36 40 1 37 41 1 38 47 1 39 44 1 42 45 1 43 46 1 45 49 1 46 48 1 48 49 1', 'C38H44O10', 660.409, 'C', 'np08_873_4', 3576, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(13934, 'Parvixanthone A', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[c:6](O)[cH:5][c:10001]2o[c:4001]1[cH:4][c:3](O)[c:2]([CH2:101][CH:102]=[C:103]([CH3:104])[CH3:105])[c:1](O)[c:9001]1[c:9](=O)[c:8001]2[c:8]3[CH2:201][CH:202]=[C:203]([CH3:210])[CH2:204][CH2:205][CH:206]=[C:207]([CH3:209])[CH2:208]O', 'COc3c(O)cc2oc1cc(O)c(CC=C(C)C)c(O)c1c(=O)c2c3CC=C(C)CCC=C(C)CO', '[CH3:62]O[c:145]3[c:158](O)[cH:104][c:156]2o[c:157]1[cH:99][c:164](O)[c:106]([CH2:28][CH:126]=[C:132]([CH3:26])[CH3:18])[c:163](O)[c:104]1[c:184](=O)[c:112]2[c:139]3[CH2:27][CH:126]=[C:137]([CH3:23])[CH2:41][CH2:22][CH:126]=[C:136]([CH3:17])[CH2:62]O', '36 38 C:7001 11.73 -12.81 C:104 26.30 -12.75 C:105 25.08 -10.70 C:209 8.17 -7.92 C:210 15.39 -7.92 O 17.82 -10.70 O 8.17 -10.70 O 22.67 -14.92 O 12.96 -14.92 O 20.27 -10.70 C:206 10.58 -7.92 C:102 23.87 -12.81 C:202 14.16 -10.00 C:4 20.27 -14.92 C:5 15.39 -14.92 C:205 11.73 -8.60 C:208 9.38 -10.00 C:101 22.67 -12.10 C:201 15.39 -10.70 C:204 12.96 -7.92 O 12.96 -12.10 O 17.82 -14.92 C:103 25.08 -12.10 C:207 9.38 -8.60 C:203 14.16 -8.60 C:3 21.45 -14.22 C:6 14.16 -14.22 C:1 20.27 -12.10 C:2 21.45 -12.81 C:8 15.39 -12.10 C:7 14.16 -12.81 C:9 17.82 -12.10 C:4001 19.04 -14.22 C:10001 16.60 -14.22 C:9001 19.04 -12.81 C:8001 16.60 -12.81 1 21 1 2 23 1 3 23 1 4 24 1 5 25 1 6 32 2 7 17 1 8 26 1 9 27 1 10 28 1 11 16 1 11 24 2 12 18 1 12 23 2 13 19 1 13 25 2 14 26 1 14 33 2 15 27 1 15 34 2 16 20 1 17 24 1 18 29 1 19 30 1 20 25 1 21 31 1 22 33 1 22 34 1 26 29 2 27 31 2 28 29 1 28 35 2 30 31 1 30 36 2 32 35 1 32 36 1 33 35 1 34 36 1', '36 38 C 11.73 -12.81 C 26.30 -12.75 C 25.08 -10.70 C 8.17 -7.92 C 15.39 -7.92 O 17.82 -10.70 O 8.17 -10.70 O 22.67 -14.92 O 12.96 -14.92 O 20.27 -10.70 C 10.58 -7.92 C 23.87 -12.81 C 14.16 -10.00 C 20.27 -14.92 C 15.39 -14.92 C 11.73 -8.60 C 9.38 -10.00 C 22.67 -12.10 C 15.39 -10.70 C 12.96 -7.92 O 12.96 -12.10 O 17.82 -14.92 C 25.08 -12.10 C 9.38 -8.60 C 14.16 -8.60 C 21.45 -14.22 C 14.16 -14.22 C 20.27 -12.10 C 21.45 -12.81 C 15.39 -12.10 C 14.16 -12.81 C 17.82 -12.10 C 19.04 -14.22 C 16.60 -14.22 C 19.04 -12.81 C 16.60 -12.81 1 21 1 2 23 1 3 23 1 4 24 1 5 25 1 6 32 2 7 17 1 8 26 1 9 27 1 10 28 1 11 16 1 11 24 2 12 18 1 12 23 2 13 19 1 13 25 2 14 26 1 14 33 2 15 27 1 15 34 2 16 20 1 17 24 1 18 29 1 19 30 1 20 25 1 21 31 1 22 33 1 22 34 1 26 29 2 27 31 2 28 29 1 28 35 2 30 31 1 30 36 2 32 35 1 32 36 1 33 35 1 34 36 1', '36 38 C:62 11.73 -12.81 C:26 26.30 -12.75 C:18 25.08 -10.70 C:17 8.17 -7.92 C:23 15.39 -7.92 O 17.82 -10.70 O 8.17 -10.70 O 22.67 -14.92 O 12.96 -14.92 O 20.27 -10.70 C:126 10.58 -7.92 C:126 23.87 -12.81 C:126 14.16 -10.00 C:99 20.27 -14.92 C:104 15.39 -14.92 C:22 11.73 -8.60 C:62 9.38 -10.00 C:28 22.67 -12.10 C:27 15.39 -10.70 C:41 12.96 -7.92 O 12.96 -12.10 O 17.82 -14.92 C:132 25.08 -12.10 C:136 9.38 -8.60 C:137 14.16 -8.60 C:164 21.45 -14.22 C:158 14.16 -14.22 C:163 20.27 -12.10 C:106 21.45 -12.81 C:139 15.39 -12.10 C:145 14.16 -12.81 C:184 17.82 -12.10 C:157 19.04 -14.22 C:156 16.60 -14.22 C:104 19.04 -12.81 C:112 16.60 -12.81 1 21 1 2 23 1 3 23 1 4 24 1 5 25 1 6 32 2 7 17 1 8 26 1 9 27 1 10 28 1 11 16 1 11 24 2 12 18 1 12 23 2 13 19 1 13 25 2 14 26 1 14 33 2 15 27 1 15 34 2 16 20 1 17 24 1 18 29 1 19 30 1 20 25 1 21 31 1 22 33 1 22 34 1 26 29 2 27 31 2 28 29 1 28 35 2 30 31 1 30 36 2 32 35 1 32 36 1 33 35 1 34 36 1', 'C29H34O7', 494.306, 'A', 'np01_1191_1', 3583, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13935, 'Parvixanthone B', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[c:6](O)[cH:5][c:10001]2o[c:4001]1[cH:4][c:3](O)[c:2]([CH2:101][CH:102]=[C:103]([CH3:105])[CH2:104]O)[c:1](O)[c:9001]1[c:9](=O)[c:8001]2[c:8]3[CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204]', 'COc3c(O)cc2oc1cc(O)c(CC=C(C)CO)c(O)c1c(=O)c2c3CC=C(C)C', '[CH3:61]O[c:146]3[c:158](O)[cH:103][c:156]2o[c:157]1[cH:94][c:164](O)[c:112]([CH2:22][CH:126]=[C:137]([CH3:22])[CH2:62]O)[c:163](O)[c:105]1[c:184](=O)[c:113]2[c:139]3[CH2:27][CH:125]=[C:139]([CH3:25])[CH3:17]', '31 33 C:7001 9.96 -12.80 C:205 16.02 -7.90 C:204 13.60 -7.90 C:105 24.51 -12.80 O 16.02 -10.70 O 24.51 -10.00 O 20.88 -14.90 O 11.18 -14.90 O 18.46 -10.70 C:202 14.81 -10.00 C:102 22.09 -12.80 C:4 18.46 -14.90 C:5 13.60 -14.90 C:104 23.29 -10.70 C:101 20.88 -12.10 C:201 13.60 -10.70 O 11.18 -12.10 O 16.02 -14.90 C:203 14.81 -8.60 C:103 23.29 -12.10 C:3 19.67 -14.20 C:6 12.39 -14.20 C:1 18.46 -12.10 C:2 19.67 -12.80 C:8 13.60 -12.10 C:7 12.39 -12.80 C:9 16.02 -12.10 C:4001 17.25 -14.20 C:10001 14.81 -14.20 C:9001 17.25 -12.80 C:8001 14.81 -12.80 1 17 1 2 19 1 3 19 1 4 20 1 5 27 2 6 14 1 7 21 1 8 22 1 9 23 1 10 16 1 10 19 2 11 15 1 11 20 2 12 21 1 12 28 2 13 22 1 13 29 2 14 20 1 15 24 1 16 25 1 17 26 1 18 28 1 18 29 1 21 24 2 22 26 2 23 24 1 23 30 2 25 26 1 25 31 2 27 30 1 27 31 1 28 30 1 29 31 1', '31 33 C 9.96 -12.80 C 16.02 -7.90 C 13.60 -7.90 C 24.51 -12.80 O 16.02 -10.70 O 24.51 -10.00 O 20.88 -14.90 O 11.18 -14.90 O 18.46 -10.70 C 14.81 -10.00 C 22.09 -12.80 C 18.46 -14.90 C 13.60 -14.90 C 23.29 -10.70 C 20.88 -12.10 C 13.60 -10.70 O 11.18 -12.10 O 16.02 -14.90 C 14.81 -8.60 C 23.29 -12.10 C 19.67 -14.20 C 12.39 -14.20 C 18.46 -12.10 C 19.67 -12.80 C 13.60 -12.10 C 12.39 -12.80 C 16.02 -12.10 C 17.25 -14.20 C 14.81 -14.20 C 17.25 -12.80 C 14.81 -12.80 1 17 1 2 19 1 3 19 1 4 20 1 5 27 2 6 14 1 7 21 1 8 22 1 9 23 1 10 16 1 10 19 2 11 15 1 11 20 2 12 21 1 12 28 2 13 22 1 13 29 2 14 20 1 15 24 1 16 25 1 17 26 1 18 28 1 18 29 1 21 24 2 22 26 2 23 24 1 23 30 2 25 26 1 25 31 2 27 30 1 27 31 1 28 30 1 29 31 1', '31 33 C:61 9.96 -12.80 C:25 16.02 -7.90 C:17 13.60 -7.90 C:22 24.51 -12.80 O 16.02 -10.70 O 24.51 -10.00 O 20.88 -14.90 O 11.18 -14.90 O 18.46 -10.70 C:125 14.81 -10.00 C:126 22.09 -12.80 C:94 18.46 -14.90 C:103 13.60 -14.90 C:62 23.29 -10.70 C:22 20.88 -12.10 C:27 13.60 -10.70 O 11.18 -12.10 O 16.02 -14.90 C:139 14.81 -8.60 C:137 23.29 -12.10 C:164 19.67 -14.20 C:158 12.39 -14.20 C:163 18.46 -12.10 C:112 19.67 -12.80 C:139 13.60 -12.10 C:146 12.39 -12.80 C:184 16.02 -12.10 C:157 17.25 -14.20 C:156 14.81 -14.20 C:105 17.25 -12.80 C:113 14.81 -12.80 1 17 1 2 19 1 3 19 1 4 20 1 5 27 2 6 14 1 7 21 1 8 22 1 9 23 1 10 16 1 10 19 2 11 15 1 11 20 2 12 21 1 12 28 2 13 22 1 13 29 2 14 20 1 15 24 1 16 25 1 17 26 1 18 28 1 18 29 1 21 24 2 22 26 2 23 24 1 23 30 2 25 26 1 25 31 2 27 30 1 27 31 1 28 30 1 29 31 1', 'C24H26O7', 426.253, 'A', 'np01_1191_2', 3583, '', '', '1', 47, NULL, NULL),
(13936, 'Parvixanthone C', '', 'Aromatics', 'Xanthones', '', '[CH2:108]=[C:107]([CH3:109])[CH:106](O)[CH2:105][CH2:104][C:103]([CH3:110])=[CH:102][CH2:101][c:8]2[c:7](O[CH3:7001])[c:6](O)[cH:5][c:10001]3o[c:4001]1[cH:4][c:3](O)[cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]23', 'C=C(C)C(O)CCC(C)=CCc2c(OC)c(O)cc3oc1cc(O)cc(O)c1c(=O)c23', '[CH2:112]=[C:136]([CH3:17])[CH:75](O)[CH2:35][CH2:37][C:150]([CH3:18])=[CH:125][CH2:27][c:138]2[c:145](O[CH3:62])[c:158](O)[cH:103][c:156]3o[c:158]1[cH:94][c:166](O)[cH:99][c:165](O)[c:104]1[c:183](=O)[c:110]23', '31 33 C:108 11.23 -10.72 C:7001 13.58 -13.52 C:109 10.04 -8.65 C:110 17.23 -8.65 O 19.65 -11.39 O 24.49 -15.64 O 14.80 -15.64 O 22.09 -11.39 O 12.43 -7.26 C:102 16.00 -10.72 C:2 23.27 -13.52 C:4 22.09 -15.64 C:5 17.23 -15.64 C:101 17.23 -11.39 C:104 14.80 -8.65 C:105 13.63 -9.33 O 14.80 -12.81 O 19.65 -15.64 C:107 11.23 -9.33 C:103 16.00 -9.33 C:3 23.27 -14.93 C:6 16.00 -14.93 C:1 22.09 -12.81 C:7 16.00 -13.52 C:8 17.23 -12.81 C:9 19.65 -12.81 C:4001 20.87 -14.93 C:10001 18.43 -14.93 C:9001 20.87 -13.52 C:8001 18.43 -13.52 C:106 12.43 -8.65 1 19 2 2 17 1 3 19 1 4 20 1 5 26 2 6 21 1 7 22 1 8 23 1 9 31 1 10 14 1 10 20 2 11 21 2 11 23 1 12 21 1 12 27 2 13 22 1 13 28 2 14 25 1 15 16 1 15 20 1 16 31 1 17 24 1 18 27 1 18 28 1 19 31 1 22 24 2 23 29 2 24 25 1 25 30 2 26 29 1 26 30 1 27 29 1 28 30 1', '31 33 C 11.23 -10.72 C 13.58 -13.52 C 10.04 -8.65 C 17.23 -8.65 O 19.65 -11.39 O 24.49 -15.64 O 14.80 -15.64 O 22.09 -11.39 O 12.43 -7.26 C 16.00 -10.72 C 23.27 -13.52 C 22.09 -15.64 C 17.23 -15.64 C 17.23 -11.39 C 14.80 -8.65 C 13.63 -9.33 O 14.80 -12.81 O 19.65 -15.64 C 11.23 -9.33 C 16.00 -9.33 C 23.27 -14.93 C 16.00 -14.93 C 22.09 -12.81 C 16.00 -13.52 C 17.23 -12.81 C 19.65 -12.81 C 20.87 -14.93 C 18.43 -14.93 C 20.87 -13.52 C 18.43 -13.52 C 12.43 -8.65 1 19 2 2 17 1 3 19 1 4 20 1 5 26 2 6 21 1 7 22 1 8 23 1 9 31 1 10 14 1 10 20 2 11 21 2 11 23 1 12 21 1 12 27 2 13 22 1 13 28 2 14 25 1 15 16 1 15 20 1 16 31 1 17 24 1 18 27 1 18 28 1 19 31 1 22 24 2 23 29 2 24 25 1 25 30 2 26 29 1 26 30 1 27 29 1 28 30 1', '31 33 C:112 11.23 -10.72 C:62 13.58 -13.52 C:17 10.04 -8.65 C:18 17.23 -8.65 O 19.65 -11.39 O 24.49 -15.64 O 14.80 -15.64 O 22.09 -11.39 O 12.43 -7.26 C:125 16.00 -10.72 C:99 23.27 -13.52 C:94 22.09 -15.64 C:103 17.23 -15.64 C:27 17.23 -11.39 C:37 14.80 -8.65 C:35 13.63 -9.33 O 14.80 -12.81 O 19.65 -15.64 C:136 11.23 -9.33 C:150 16.00 -9.33 C:166 23.27 -14.93 C:158 16.00 -14.93 C:165 22.09 -12.81 C:145 16.00 -13.52 C:138 17.23 -12.81 C:183 19.65 -12.81 C:158 20.87 -14.93 C:156 18.43 -14.93 C:104 20.87 -13.52 C:110 18.43 -13.52 C:75 12.43 -8.65 1 19 2 2 17 1 3 19 1 4 20 1 5 26 2 6 21 1 7 22 1 8 23 1 9 31 1 10 14 1 10 20 2 11 21 2 11 23 1 12 21 1 12 27 2 13 22 1 13 28 2 14 25 1 15 16 1 15 20 1 16 31 1 17 24 1 18 27 1 18 28 1 19 31 1 22 24 2 23 29 2 24 25 1 25 30 2 26 29 1 26 30 1 27 29 1 28 30 1', 'C24H26O7', 426.253, 'A', 'np01_1191_3', 3583, '', '', '1', 47, NULL, NULL),
(13937, 'Parvixanthone D', '', 'Aromatics', 'Xanthones', '', '[CH2:108]=[C:107]([CH3:109])[C:106](=O)[CH2:105][CH2:104][C:103]([CH3:110])=[CH:102][CH2:101][c:8]2[c:7](O[CH3:7001])[c:6](O)[cH:5][c:10001]3o[c:4001]1[cH:4][c:3](O)[cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]23', 'C=C(C)C(=O)CCC(C)=CCc2c(OC)c(O)cc3oc1cc(O)cc(O)c1c(=O)c23', '[CH2:125]=[C:145]([CH3:18])[C:202](=O)[CH2:37][CH2:35][C:135]([CH3:17])=[CH:125][CH2:27][c:138]2[c:145](O[CH3:62])[c:158](O)[cH:103][c:156]3o[c:158]1[cH:94][c:166](O)[cH:99][c:165](O)[c:104]1[c:183](=O)[c:109]23', '31 33 C:108 11.23 -10.72 C:7001 13.58 -13.52 C:109 10.04 -8.65 C:110 17.23 -8.65 O 12.43 -7.26 O 19.65 -11.39 O 24.49 -15.64 O 14.80 -15.64 O 22.09 -11.39 C:102 16.00 -10.72 C:2 23.27 -13.52 C:4 22.09 -15.64 C:5 17.23 -15.64 C:101 17.23 -11.39 C:104 14.80 -8.65 C:105 13.63 -9.33 O 14.80 -12.81 O 19.65 -15.64 C:107 11.23 -9.33 C:103 16.00 -9.33 C:106 12.43 -8.65 C:3 23.27 -14.93 C:6 16.00 -14.93 C:1 22.09 -12.81 C:7 16.00 -13.52 C:8 17.23 -12.81 C:9 19.65 -12.81 C:4001 20.87 -14.93 C:10001 18.43 -14.93 C:9001 20.87 -13.52 C:8001 18.43 -13.52 1 19 2 2 17 1 3 19 1 4 20 1 5 21 2 6 27 2 7 22 1 8 23 1 9 24 1 10 14 1 10 20 2 11 22 2 11 24 1 12 22 1 12 28 2 13 23 1 13 29 2 14 26 1 15 16 1 15 20 1 16 21 1 17 25 1 18 28 1 18 29 1 19 21 1 23 25 2 24 30 2 25 26 1 26 31 2 27 30 1 27 31 1 28 30 1 29 31 1', '31 33 C 11.23 -10.72 C 13.58 -13.52 C 10.04 -8.65 C 17.23 -8.65 O 12.43 -7.26 O 19.65 -11.39 O 24.49 -15.64 O 14.80 -15.64 O 22.09 -11.39 C 16.00 -10.72 C 23.27 -13.52 C 22.09 -15.64 C 17.23 -15.64 C 17.23 -11.39 C 14.80 -8.65 C 13.63 -9.33 O 14.80 -12.81 O 19.65 -15.64 C 11.23 -9.33 C 16.00 -9.33 C 12.43 -8.65 C 23.27 -14.93 C 16.00 -14.93 C 22.09 -12.81 C 16.00 -13.52 C 17.23 -12.81 C 19.65 -12.81 C 20.87 -14.93 C 18.43 -14.93 C 20.87 -13.52 C 18.43 -13.52 1 19 2 2 17 1 3 19 1 4 20 1 5 21 2 6 27 2 7 22 1 8 23 1 9 24 1 10 14 1 10 20 2 11 22 2 11 24 1 12 22 1 12 28 2 13 23 1 13 29 2 14 26 1 15 16 1 15 20 1 16 21 1 17 25 1 18 28 1 18 29 1 19 21 1 23 25 2 24 30 2 25 26 1 26 31 2 27 30 1 27 31 1 28 30 1 29 31 1', '31 33 C:125 11.23 -10.72 C:62 13.58 -13.52 C:18 10.04 -8.65 C:17 17.23 -8.65 O 12.43 -7.26 O 19.65 -11.39 O 24.49 -15.64 O 14.80 -15.64 O 22.09 -11.39 C:125 16.00 -10.72 C:99 23.27 -13.52 C:94 22.09 -15.64 C:103 17.23 -15.64 C:27 17.23 -11.39 C:35 14.80 -8.65 C:37 13.63 -9.33 O 14.80 -12.81 O 19.65 -15.64 C:145 11.23 -9.33 C:135 16.00 -9.33 C:202 12.43 -8.65 C:166 23.27 -14.93 C:158 16.00 -14.93 C:165 22.09 -12.81 C:145 16.00 -13.52 C:138 17.23 -12.81 C:183 19.65 -12.81 C:158 20.87 -14.93 C:156 18.43 -14.93 C:104 20.87 -13.52 C:109 18.43 -13.52 1 19 2 2 17 1 3 19 1 4 20 1 5 21 2 6 27 2 7 22 1 8 23 1 9 24 1 10 14 1 10 20 2 11 22 2 11 24 1 12 22 1 12 28 2 13 23 1 13 29 2 14 26 1 15 16 1 15 20 1 16 21 1 17 25 1 18 28 1 18 29 1 19 21 1 23 25 2 24 30 2 25 26 1 26 31 2 27 30 1 27 31 1 28 30 1 29 31 1', 'C24H24O7', 424.253, 'A', 'np01_1191_4', 3583, '', '', '1', 47, NULL, NULL),
(13938, 'Parvixanthone E', '', 'Aromatics', 'Xanthones', '', '[CH2:110]=[C:103]([CH2:104][CH2:105][CH:106]=[C:107]([CH3:109])[CH3:108])[C:102](=O)[CH2:101][c:8]2[c:7](O[CH3:7001])[c:6](O)[cH:5][c:10001]3o[c:4001]1[cH:4][c:3](O)[cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]23', 'C=C(CCC=C(C)C)C(=O)Cc2c(OC)c(O)cc3oc1cc(O)cc(O)c1c(=O)c23', '[CH2:124]=[C:150]([CH2:32][CH2:28][CH:125]=[C:132]([CH3:26])[CH3:18])[C:199](=O)[CH2:38][c:138]2[c:146](O[CH3:62])[c:158](O)[cH:103][c:156]3o[c:158]1[cH:94][c:166](O)[cH:99][c:165](O)[c:104]1[c:182](=O)[c:110]23', '31 33 C:110 17.19 -7.93 C:7001 13.54 -12.81 C:109 9.99 -7.93 C:108 11.19 -10.00 O 14.76 -10.68 O 19.61 -10.68 O 24.46 -14.93 O 14.76 -14.93 O 22.05 -10.68 C:106 12.39 -7.93 C:2 23.24 -12.81 C:4 22.05 -14.93 C:5 17.19 -14.93 C:105 13.59 -8.61 C:104 14.76 -7.93 C:101 17.19 -10.68 O 14.76 -12.10 O 19.61 -14.93 C:107 11.19 -8.61 C:103 15.96 -8.61 C:102 15.96 -10.00 C:3 23.24 -14.22 C:6 15.96 -14.22 C:1 22.05 -12.10 C:7 15.96 -12.81 C:8 17.19 -12.10 C:9 19.61 -12.10 C:4001 20.83 -14.22 C:10001 18.39 -14.22 C:9001 20.83 -12.81 C:8001 18.39 -12.81 1 20 2 2 17 1 3 19 1 4 19 1 5 21 2 6 27 2 7 22 1 8 23 1 9 24 1 10 14 1 10 19 2 11 22 2 11 24 1 12 22 1 12 28 2 13 23 1 13 29 2 14 15 1 15 20 1 16 21 1 16 26 1 17 25 1 18 28 1 18 29 1 20 21 1 23 25 2 24 30 2 25 26 1 26 31 2 27 30 1 27 31 1 28 30 1 29 31 1', '31 33 C 17.19 -7.93 C 13.54 -12.81 C 9.99 -7.93 C 11.19 -10.00 O 14.76 -10.68 O 19.61 -10.68 O 24.46 -14.93 O 14.76 -14.93 O 22.05 -10.68 C 12.39 -7.93 C 23.24 -12.81 C 22.05 -14.93 C 17.19 -14.93 C 13.59 -8.61 C 14.76 -7.93 C 17.19 -10.68 O 14.76 -12.10 O 19.61 -14.93 C 11.19 -8.61 C 15.96 -8.61 C 15.96 -10.00 C 23.24 -14.22 C 15.96 -14.22 C 22.05 -12.10 C 15.96 -12.81 C 17.19 -12.10 C 19.61 -12.10 C 20.83 -14.22 C 18.39 -14.22 C 20.83 -12.81 C 18.39 -12.81 1 20 2 2 17 1 3 19 1 4 19 1 5 21 2 6 27 2 7 22 1 8 23 1 9 24 1 10 14 1 10 19 2 11 22 2 11 24 1 12 22 1 12 28 2 13 23 1 13 29 2 14 15 1 15 20 1 16 21 1 16 26 1 17 25 1 18 28 1 18 29 1 20 21 1 23 25 2 24 30 2 25 26 1 26 31 2 27 30 1 27 31 1 28 30 1 29 31 1', '31 33 C:124 17.19 -7.93 C:62 13.54 -12.81 C:26 9.99 -7.93 C:18 11.19 -10.00 O 14.76 -10.68 O 19.61 -10.68 O 24.46 -14.93 O 14.76 -14.93 O 22.05 -10.68 C:125 12.39 -7.93 C:99 23.24 -12.81 C:94 22.05 -14.93 C:103 17.19 -14.93 C:28 13.59 -8.61 C:32 14.76 -7.93 C:38 17.19 -10.68 O 14.76 -12.10 O 19.61 -14.93 C:132 11.19 -8.61 C:150 15.96 -8.61 C:199 15.96 -10.00 C:166 23.24 -14.22 C:158 15.96 -14.22 C:165 22.05 -12.10 C:146 15.96 -12.81 C:138 17.19 -12.10 C:182 19.61 -12.10 C:158 20.83 -14.22 C:156 18.39 -14.22 C:104 20.83 -12.81 C:110 18.39 -12.81 1 20 2 2 17 1 3 19 1 4 19 1 5 21 2 6 27 2 7 22 1 8 23 1 9 24 1 10 14 1 10 19 2 11 22 2 11 24 1 12 22 1 12 28 2 13 23 1 13 29 2 14 15 1 15 20 1 16 21 1 16 26 1 17 25 1 18 28 1 18 29 1 20 21 1 23 25 2 24 30 2 25 26 1 26 31 2 27 30 1 27 31 1 28 30 1 29 31 1', 'C24H24O7', 424.253, 'A', 'np01_1191_5', 3583, '', '', '1', 47, NULL, NULL),
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(13950, 'Cratoxyarborenone B', '', 'Aromatics', 'Xanthones', '', '[CH3:104][C:103]([CH3:105])=[CH:102][CH2:101][c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[c:5](O)[cH:6][c:7](O)[c:8]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'CC(C)=CCc3c(O)cc2oc1c(O)cc(O)c(CC=C(C)C)c1c(=O)c2c3O', '[CH3:18][C:131]([CH3:26])=[CH:124][CH2:26][c:111]3[c:163](O)[cH:93][c:156]2o[c:152]1[c:154](O)[cH:101][c:142](O)[c:112]([CH2:26][CH:124]=[C:131]([CH3:18])[CH3:26])[c:129]1[c:183](=O)[c:104]2[c:162]3O', '29 31 C:104 22.70 -9.99 C:105 23.94 -12.11 C:205 13.02 -7.24 C:204 10.58 -7.24 O 15.49 -9.99 O 10.58 -11.45 O 20.29 -14.20 O 13.02 -15.57 O 17.90 -9.99 C:102 21.50 -12.11 C:202 11.81 -9.30 C:6 11.81 -13.50 C:4 17.90 -14.20 C:101 20.29 -11.39 C:201 13.02 -9.99 O 15.49 -14.20 C:103 22.70 -11.39 C:203 11.81 -7.92 C:7 11.81 -12.11 C:3 19.10 -13.50 C:5 13.02 -14.20 C:1 17.90 -11.39 C:2 19.10 -12.11 C:8 13.02 -11.39 C:9 15.49 -11.39 C:4001 16.73 -13.50 C:10001 14.25 -13.50 C:9001 16.73 -12.11 C:8001 14.25 -12.11 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 21 2 13 20 2 13 26 1 14 23 1 15 24 1 16 26 1 16 27 1 19 24 2 20 23 1 21 27 1 22 23 2 22 28 1 24 29 1 25 28 1 25 29 1 26 28 2 27 29 2', '29 31 C 22.70 -9.99 C 23.94 -12.11 C 13.02 -7.24 C 10.58 -7.24 O 15.49 -9.99 O 10.58 -11.45 O 20.29 -14.20 O 13.02 -15.57 O 17.90 -9.99 C 21.50 -12.11 C 11.81 -9.30 C 11.81 -13.50 C 17.90 -14.20 C 20.29 -11.39 C 13.02 -9.99 O 15.49 -14.20 C 22.70 -11.39 C 11.81 -7.92 C 11.81 -12.11 C 19.10 -13.50 C 13.02 -14.20 C 17.90 -11.39 C 19.10 -12.11 C 13.02 -11.39 C 15.49 -11.39 C 16.73 -13.50 C 14.25 -13.50 C 16.73 -12.11 C 14.25 -12.11 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 21 2 13 20 2 13 26 1 14 23 1 15 24 1 16 26 1 16 27 1 19 24 2 20 23 1 21 27 1 22 23 2 22 28 1 24 29 1 25 28 1 25 29 1 26 28 2 27 29 2', '29 31 C:18 22.70 -9.99 C:26 23.94 -12.11 C:18 13.02 -7.24 C:26 10.58 -7.24 O 15.49 -9.99 O 10.58 -11.45 O 20.29 -14.20 O 13.02 -15.57 O 17.90 -9.99 C:124 21.50 -12.11 C:124 11.81 -9.30 C:101 11.81 -13.50 C:93 17.90 -14.20 C:26 20.29 -11.39 C:26 13.02 -9.99 O 15.49 -14.20 C:131 22.70 -11.39 C:131 11.81 -7.92 C:142 11.81 -12.11 C:163 19.10 -13.50 C:154 13.02 -14.20 C:162 17.90 -11.39 C:111 19.10 -12.11 C:112 13.02 -11.39 C:183 15.49 -11.39 C:156 16.73 -13.50 C:152 14.25 -13.50 C:104 16.73 -12.11 C:129 14.25 -12.11 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 21 2 13 20 2 13 26 1 14 23 1 15 24 1 16 26 1 16 27 1 19 24 2 20 23 1 21 27 1 22 23 2 22 28 1 24 29 1 25 28 1 25 29 1 26 28 2 27 29 2', 'C23H24O6', 396.242, 'A', 'np02_299_2', 3585, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(13952, 'Cratoxyarborenone D', '', 'Aromatics', 'Xanthones', '', '[CH2:104]=[C:103]([CH3:105])[CH:102]4[CH2:101][c:2]3[c:3]([cH:4][c:4001]2o[c:10001]1[c:5](O)[c:6](O)[c:7](O)[c:8]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:8001]1[c:9](=O)[c:9001]2[c:1]3O)O4', 'C=C(C)C4Cc3c(cc2oc1c(O)c(O)c(O)c(CC=C(C)C)c1c(=O)c2c3O)O4', '[CH2:110]=[C:148]([CH3:18])[CH:77]4[CH2:31][c:109]3[c:164]([cH:94][c:9999]2o[c:156]1[c:153](O)[c:154](O)[c:142](O)[c:129]([CH2:26][CH:125]=[C:131]([CH3:18])[CH3:25])[c:112]1[c:183](=O)[c:104]2[c:162]3O)O4', '30 33 C:104 23.60 -11.60 C:205 13.22 -7.20 C:204 10.85 -7.20 C:105 23.60 -14.01 O 15.66 -10.00 O 10.85 -14.23 O 10.85 -11.39 O 13.22 -15.64 O 18.15 -10.00 C:202 12.05 -9.29 C:4 18.15 -14.23 C:201 13.21 -10.00 C:101 20.67 -11.68 O 20.67 -13.93 O 15.66 -14.23 C:203 12.05 -7.89 C:103 22.90 -12.79 C:6 12.05 -13.50 C:7 12.05 -12.10 C:3 19.35 -13.50 C:5 13.21 -14.23 C:1 18.15 -11.39 C:2 19.35 -12.10 C:8 13.21 -11.39 C:9 15.66 -11.39 C:4001 16.91 -13.50 C:10001 14.42 -13.50 C:9001 16.91 -12.10 C:8001 14.42 -12.10 C:102 21.48 -12.79 1 17 2 2 16 1 3 16 1 4 17 1 5 25 2 6 18 1 7 19 1 8 21 1 9 22 1 10 12 1 10 16 2 11 20 2 11 26 1 12 24 1 13 23 1 13 30 1 14 20 1 14 30 1 15 26 1 15 27 1 17 30 1 18 19 1 18 21 2 19 24 2 20 23 1 21 27 1 22 23 2 22 28 1 24 29 1 25 28 1 25 29 1 26 28 2 27 29 2', '30 33 C 23.60 -11.60 C 13.22 -7.20 C 10.85 -7.20 C 23.60 -14.01 O 15.66 -10.00 O 10.85 -14.23 O 10.85 -11.39 O 13.22 -15.64 O 18.15 -10.00 C 12.05 -9.29 C 18.15 -14.23 C 13.21 -10.00 C 20.67 -11.68 O 20.67 -13.93 O 15.66 -14.23 C 12.05 -7.89 C 22.90 -12.79 C 12.05 -13.50 C 12.05 -12.10 C 19.35 -13.50 C 13.21 -14.23 C 18.15 -11.39 C 19.35 -12.10 C 13.21 -11.39 C 15.66 -11.39 C 16.91 -13.50 C 14.42 -13.50 C 16.91 -12.10 C 14.42 -12.10 C 21.48 -12.79 1 17 2 2 16 1 3 16 1 4 17 1 5 25 2 6 18 1 7 19 1 8 21 1 9 22 1 10 12 1 10 16 2 11 20 2 11 26 1 12 24 1 13 23 1 13 30 1 14 20 1 14 30 1 15 26 1 15 27 1 17 30 1 18 19 1 18 21 2 19 24 2 20 23 1 21 27 1 22 23 2 22 28 1 24 29 1 25 28 1 25 29 1 26 28 2 27 29 2', '30 33 C:110 23.60 -11.60 C:18 13.22 -7.20 C:25 10.85 -7.20 C:18 23.60 -14.01 O 15.66 -10.00 O 10.85 -14.23 O 10.85 -11.39 O 13.22 -15.64 O 18.15 -10.00 C:125 12.05 -9.29 C:94 18.15 -14.23 C:26 13.21 -10.00 C:31 20.67 -11.68 O 20.67 -13.93 O 15.66 -14.23 C:131 12.05 -7.89 C:148 22.90 -12.79 C:154 12.05 -13.50 C:142 12.05 -12.10 C:164 19.35 -13.50 C:153 13.21 -14.23 C:162 18.15 -11.39 C:109 19.35 -12.10 C:129 13.21 -11.39 C:183 15.66 -11.39 C 16.91 -13.50 C:156 14.42 -13.50 C:104 16.91 -12.10 C:112 14.42 -12.10 C:77 21.48 -12.79 1 17 2 2 16 1 3 16 1 4 17 1 5 25 2 6 18 1 7 19 1 8 21 1 9 22 1 10 12 1 10 16 2 11 20 2 11 26 1 12 24 1 13 23 1 13 30 1 14 20 1 14 30 1 15 26 1 15 27 1 17 30 1 18 19 1 18 21 2 19 24 2 20 23 1 21 27 1 22 23 2 22 28 1 24 29 1 25 28 1 25 29 1 26 28 2 27 29 2', 'C23H22O7', 410.242, 'C', 'np02_299_4', 3585, '', '', '1', 47, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13968, 'Jacarelhyperols B', '', 'Aromatics', 'Xanthones', '', '[CH3:204][C@:203]8([CH3:205])[CH:202]=[CH:201][c:4]6[c:3]([cH:2][c:1](O)[c:9001]7[c:9](=O)[c:8001]5[cH:8][cH:7][c:6](O[C@@H:303]4[c:104]2[c:103]([cH:102][c:101](O)[c:109001]3[c:109](=O)[c:108001]1[cH:108][cH:107][cH:106][c:105](O)[c:110001]1o[c:104001]23)O[C@H:302]4[C:304]([CH3:305])([CH3:306])O)[c:5](O)[c:10001]5o[c:4001]67)O8', 'C[C@]8(C)C=Cc6c(cc(O)c7c(=O)c5ccc(O[C@@H]4c2c(cc(O)c3c(=O)c1cccc(O)c1oc23)O[C@H]4C(C)(C)O)c(O)c5oc67)O8', '[CH3:28][C@:79]8([CH3:29])[CH:129]=[CH:115][c:102]6[c:161]([cH:100][c:164](O)[c:104]7[c:181](=O)[c:116]5[cH:118][cH:115][c:151](O[C@@H:81]4[c:105]2[c:157]([cH:99][c:165](O)[c:104]3[c:182](=O)[c:122]1[cH:116][cH:125][cH:121][c:147](O)[c:146]1o[c:151]23)O[C@H:72]4[C:72]([CH3:28])([CH3:25])O)[c:133](O)[c:147]5o[c:153]67)O8', '48 55 C:204 26.11 -11.56 C:205 25.09 -13.27 C:305 14.31 -6.10 C:306 15.98 -7.85 O 19.89 -6.29 O 8.99 -13.73 O 14.98 -14.83 O 8.44 -11.34 O 22.35 -6.29 O 17.46 -11.86 O 15.65 -6.49 C:201 22.35 -11.86 C:202 23.53 -12.58 C:107 11.85 -16.80 C:106 13.21 -16.49 C:7 16.25 -8.36 C:108 10.89 -15.78 C:8 17.46 -7.68 C:102 10.21 -9.71 C:2 23.53 -8.36 O 14.98 -10.50 O 12.27 -8.17 O 24.75 -10.42 O 13.08 -12.78 O 19.89 -10.42 C:105 13.62 -15.15 C:101 9.81 -11.04 C:1 22.35 -7.68 C:6 16.25 -9.82 C:103 11.58 -9.39 C:3 23.53 -9.82 C:5 17.46 -10.42 C:4 22.35 -10.42 C:104 12.54 -10.42 C:9 19.89 -7.68 C:109 10.35 -13.42 C:108001 11.30 -14.44 C:8001 18.67 -8.36 C:110001 12.67 -14.13 C:10001 18.67 -9.82 C:4001 21.14 -9.82 C:104001 12.12 -11.75 C:9001 21.14 -8.36 C:109001 10.76 -12.07 C:303 13.81 -9.82 C:302 13.62 -8.43 C:203 24.75 -11.86 C:304 14.64 -7.46 47 1 -2 47 2 -1 3 48 1 4 48 1 5 35 2 6 36 2 7 26 1 8 27 1 9 28 1 10 32 1 11 48 1 12 13 2 12 33 1 13 47 1 14 15 1 14 17 2 15 26 2 16 18 2 16 29 1 17 37 1 18 38 1 19 27 2 19 30 1 20 28 2 20 31 1 21 29 1 45 21 -2 22 30 1 22 46 1 23 31 1 23 47 1 24 39 1 24 42 1 25 40 1 25 41 1 26 39 1 27 44 1 28 43 1 29 32 2 30 34 2 31 33 2 32 40 1 33 41 1 34 42 1 34 45 1 35 38 1 35 43 1 36 37 1 36 44 1 37 39 2 38 40 2 41 43 2 42 44 2 45 46 1 46 48 -1', '48 55 C 26.11 -11.56 C 25.09 -13.27 C 14.31 -6.10 C 15.98 -7.85 O 19.89 -6.29 O 8.99 -13.73 O 14.98 -14.83 O 8.44 -11.34 O 22.35 -6.29 O 17.46 -11.86 O 15.65 -6.49 C 22.35 -11.86 C 23.53 -12.58 C 11.85 -16.80 C 13.21 -16.49 C 16.25 -8.36 C 10.89 -15.78 C 17.46 -7.68 C 10.21 -9.71 C 23.53 -8.36 O 14.98 -10.50 O 12.27 -8.17 O 24.75 -10.42 O 13.08 -12.78 O 19.89 -10.42 C 13.62 -15.15 C 9.81 -11.04 C 22.35 -7.68 C 16.25 -9.82 C 11.58 -9.39 C 23.53 -9.82 C 17.46 -10.42 C 22.35 -10.42 C 12.54 -10.42 C 19.89 -7.68 C 10.35 -13.42 C 11.30 -14.44 C 18.67 -8.36 C 12.67 -14.13 C 18.67 -9.82 C 21.14 -9.82 C 12.12 -11.75 C 21.14 -8.36 C 10.76 -12.07 C 13.81 -9.82 C 13.62 -8.43 C 24.75 -11.86 C 14.64 -7.46 47 1 -2 47 2 -1 3 48 1 4 48 1 5 35 2 6 36 2 7 26 1 8 27 1 9 28 1 10 32 1 11 48 1 12 13 2 12 33 1 13 47 1 14 15 1 14 17 2 15 26 2 16 18 2 16 29 1 17 37 1 18 38 1 19 27 2 19 30 1 20 28 2 20 31 1 21 29 1 45 21 -2 22 30 1 22 46 1 23 31 1 23 47 1 24 39 1 24 42 1 25 40 1 25 41 1 26 39 1 27 44 1 28 43 1 29 32 2 30 34 2 31 33 2 32 40 1 33 41 1 34 42 1 34 45 1 35 38 1 35 43 1 36 37 1 36 44 1 37 39 2 38 40 2 41 43 2 42 44 2 45 46 1 46 48 -1', '48 55 C:28 26.11 -11.56 C:29 25.09 -13.27 C:28 14.31 -6.10 C:25 15.98 -7.85 O 19.89 -6.29 O 8.99 -13.73 O 14.98 -14.83 O 8.44 -11.34 O 22.35 -6.29 O 17.46 -11.86 O 15.65 -6.49 C:115 22.35 -11.86 C:129 23.53 -12.58 C:125 11.85 -16.80 C:121 13.21 -16.49 C:115 16.25 -8.36 C:116 10.89 -15.78 C:118 17.46 -7.68 C:99 10.21 -9.71 C:100 23.53 -8.36 O 14.98 -10.50 O 12.27 -8.17 O 24.75 -10.42 O 13.08 -12.78 O 19.89 -10.42 C:147 13.62 -15.15 C:165 9.81 -11.04 C:164 22.35 -7.68 C:151 16.25 -9.82 C:157 11.58 -9.39 C:161 23.53 -9.82 C:133 17.46 -10.42 C:102 22.35 -10.42 C:105 12.54 -10.42 C:181 19.89 -7.68 C:182 10.35 -13.42 C:122 11.30 -14.44 C:116 18.67 -8.36 C:146 12.67 -14.13 C:147 18.67 -9.82 C:153 21.14 -9.82 C:151 12.12 -11.75 C:104 21.14 -8.36 C:104 10.76 -12.07 C:81 13.81 -9.82 C:72 13.62 -8.43 C:79 24.75 -11.86 C:72 14.64 -7.46 47 1 -2 47 2 -1 3 48 1 4 48 1 5 35 2 6 36 2 7 26 1 8 27 1 9 28 1 10 32 1 11 48 1 12 13 2 12 33 1 13 47 1 14 15 1 14 17 2 15 26 2 16 18 2 16 29 1 17 37 1 18 38 1 19 27 2 19 30 1 20 28 2 20 31 1 21 29 1 45 21 -2 22 30 1 22 46 1 23 31 1 23 47 1 24 39 1 24 42 1 25 40 1 25 41 1 26 39 1 27 44 1 28 43 1 29 32 2 30 34 2 31 33 2 32 40 1 33 41 1 34 42 1 34 45 1 35 38 1 35 43 1 36 37 1 36 44 1 37 39 2 38 40 2 41 43 2 42 44 2 45 46 1 46 48 -1', 'C36H28O12', 652.378, 'A', 'pm02_258_2', 3588, '', '', '1', 47, NULL, NULL),
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(13982, '', '2-Hydroxy-1,6,7-trimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:6001]O[c:6]3[cH:5][c:10001]2o[c:4001]1[cH:4][cH:3][c:2](O)[c:1](O[CH3:1001])[c:9001]1[c:9](=O)[c:8001]2[cH:8][c:7]3O[CH3:7001]', 'COc3cc2oc1ccc(O)c(OC)c1c(=O)c2cc3OC', '[CH3:57]O[c:155]3[cH:99][c:152]2o[c:151]1[cH:114][cH:122][c:144](O)[c:145](O[CH3:63])[c:116]1[c:175](=O)[c:115]2[cH:105][c:147]3O[CH3:56]', '22 24 C:6001 11.78 -13.19 C:7001 13.01 -9.63 C:1001 21.47 -8.95 O 17.82 -9.63 O 22.67 -11.02 C:3 21.47 -13.19 C:4 20.26 -13.83 C:5 15.39 -13.83 C:8 15.39 -11.02 O 13.01 -13.87 O 13.01 -11.02 O 20.26 -9.63 O 17.82 -13.83 C:2 21.47 -11.74 C:6 14.20 -13.19 C:7 14.20 -11.74 C:1 20.26 -11.02 C:9 17.82 -11.02 C:4001 19.05 -13.19 C:10001 16.61 -13.19 C:8001 16.61 -11.74 C:9001 19.05 -11.74 1 10 1 2 11 1 3 12 1 4 18 2 5 14 1 6 7 2 6 14 1 7 19 1 8 15 2 8 20 1 9 16 2 9 21 1 10 15 1 11 16 1 12 17 1 13 19 1 13 20 1 14 17 2 15 16 1 17 22 1 18 21 1 18 22 1 19 22 2 20 21 2', '22 24 C 11.78 -13.19 C 13.01 -9.63 C 21.47 -8.95 O 17.82 -9.63 O 22.67 -11.02 C 21.47 -13.19 C 20.26 -13.83 C 15.39 -13.83 C 15.39 -11.02 O 13.01 -13.87 O 13.01 -11.02 O 20.26 -9.63 O 17.82 -13.83 C 21.47 -11.74 C 14.20 -13.19 C 14.20 -11.74 C 20.26 -11.02 C 17.82 -11.02 C 19.05 -13.19 C 16.61 -13.19 C 16.61 -11.74 C 19.05 -11.74 1 10 1 2 11 1 3 12 1 4 18 2 5 14 1 6 7 2 6 14 1 7 19 1 8 15 2 8 20 1 9 16 2 9 21 1 10 15 1 11 16 1 12 17 1 13 19 1 13 20 1 14 17 2 15 16 1 17 22 1 18 21 1 18 22 1 19 22 2 20 21 2', '22 24 C:57 11.78 -13.19 C:56 13.01 -9.63 C:63 21.47 -8.95 O 17.82 -9.63 O 22.67 -11.02 C:122 21.47 -13.19 C:114 20.26 -13.83 C:99 15.39 -13.83 C:105 15.39 -11.02 O 13.01 -13.87 O 13.01 -11.02 O 20.26 -9.63 O 17.82 -13.83 C:144 21.47 -11.74 C:155 14.20 -13.19 C:147 14.20 -11.74 C:145 20.26 -11.02 C:175 17.82 -11.02 C:151 19.05 -13.19 C:152 16.61 -13.19 C:115 16.61 -11.74 C:116 19.05 -11.74 1 10 1 2 11 1 3 12 1 4 18 2 5 14 1 6 7 2 6 14 1 7 19 1 8 15 2 8 20 1 9 16 2 9 21 1 10 15 1 11 16 1 12 17 1 13 19 1 13 20 1 14 17 2 15 16 1 17 22 1 18 21 1 18 22 1 19 22 2 20 21 2', 'C16H14O6', 302.168, 'C', 'pm05_372_1', 3593, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13983, '', '1,4-Dimethoxy-2,3-methylenedioxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:201]O[c:4]3[c:3]1O[CH2:301]O[c:2]1[c:1](O[CH3:101])[c:9001]4[c:9](=O)[c:8001]2[cH:8][cH:7][cH:6][cH:5][c:10001]2o[c:4001]34', 'COc3c1OCOc1c(OC)c4c(=O)c2ccccc2oc34', '[CH3:61]O[c:128]3[c:144]1O[CH2:103]O[c:136]1[c:137](O[CH3:61])[c:111]4[c:176](=O)[c:122]2[cH:127][cH:124][cH:134][cH:117][c:155]2o[c:147]34', '22 25 C:201 17.40 -14.90 C:101 19.81 -7.92 O 16.17 -8.60 C:6 12.55 -12.16 C:7 12.55 -10.71 C:5 13.74 -12.80 C:8 13.74 -9.99 C:301 21.96 -11.44 O 18.60 -14.20 O 18.60 -8.60 O 21.14 -12.57 O 21.14 -10.30 O 16.17 -12.80 C:3 19.81 -12.16 C:2 19.81 -10.71 C:4 18.60 -12.80 C:1 18.60 -9.99 C:9 16.17 -9.99 C:10001 14.96 -12.16 C:8001 14.96 -10.71 C:4001 17.40 -12.16 C:9001 17.40 -10.71 1 9 1 2 10 1 3 18 2 4 5 1 4 6 2 5 7 2 6 19 1 7 20 1 8 11 1 8 12 1 9 16 1 10 17 1 11 14 1 12 15 1 13 19 1 13 21 1 14 15 1 14 16 2 15 17 2 16 21 1 17 22 1 18 20 1 18 22 1 19 20 2 21 22 2', '22 25 C 17.40 -14.90 C 19.81 -7.92 O 16.17 -8.60 C 12.55 -12.16 C 12.55 -10.71 C 13.74 -12.80 C 13.74 -9.99 C 21.96 -11.44 O 18.60 -14.20 O 18.60 -8.60 O 21.14 -12.57 O 21.14 -10.30 O 16.17 -12.80 C 19.81 -12.16 C 19.81 -10.71 C 18.60 -12.80 C 18.60 -9.99 C 16.17 -9.99 C 14.96 -12.16 C 14.96 -10.71 C 17.40 -12.16 C 17.40 -10.71 1 9 1 2 10 1 3 18 2 4 5 1 4 6 2 5 7 2 6 19 1 7 20 1 8 11 1 8 12 1 9 16 1 10 17 1 11 14 1 12 15 1 13 19 1 13 21 1 14 15 1 14 16 2 15 17 2 16 21 1 17 22 1 18 20 1 18 22 1 19 20 2 21 22 2', '22 25 C:61 17.40 -14.90 C:61 19.81 -7.92 O 16.17 -8.60 C:134 12.55 -12.16 C:124 12.55 -10.71 C:117 13.74 -12.80 C:127 13.74 -9.99 C:103 21.96 -11.44 O 18.60 -14.20 O 18.60 -8.60 O 21.14 -12.57 O 21.14 -10.30 O 16.17 -12.80 C:144 19.81 -12.16 C:136 19.81 -10.71 C:128 18.60 -12.80 C:137 18.60 -9.99 C:176 16.17 -9.99 C:155 14.96 -12.16 C:122 14.96 -10.71 C:147 17.40 -12.16 C:111 17.40 -10.71 1 9 1 2 10 1 3 18 2 4 5 1 4 6 2 5 7 2 6 19 1 7 20 1 8 11 1 8 12 1 9 16 1 10 17 1 11 14 1 12 15 1 13 19 1 13 21 1 14 15 1 14 16 2 15 17 2 16 21 1 17 22 1 18 20 1 18 22 1 19 20 2 21 22 2', 'C16H12O6', 300.168, 'C', 'pm05_372_2', 3593, '', '', '1', 47, NULL, NULL),
(13984, '', '7-Hydroxy-1,2-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[cH:3][cH:4][c:4001]2o[c:10001]1[cH:5][cH:6][c:7](O)[cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O[CH3:1001]', 'COc3ccc2oc1ccc(O)cc1c(=O)c2c3OC', '[CH3:57]O[c:149]3[cH:121][cH:113][c:150]2o[c:148]1[cH:119][cH:124][c:154](O)[cH:109][c:122]1[c:175](=O)[c:116]2[c:147]3O[CH3:61]', '20 22 C:2001 22.67 -11.78 C:1001 20.26 -8.99 O 16.61 -9.67 O 11.81 -11.06 C:6 13.00 -13.22 C:3 20.26 -13.22 C:5 14.19 -13.86 C:4 19.05 -13.86 C:8 14.19 -11.06 O 21.45 -11.06 O 19.05 -9.67 O 16.61 -13.86 C:7 13.00 -11.78 C:2 20.26 -11.78 C:1 19.05 -11.06 C:9 16.61 -11.06 C:10001 15.41 -13.22 C:4001 17.84 -13.22 C:8001 15.41 -11.78 C:9001 17.84 -11.78 1 10 1 2 11 1 3 16 2 4 13 1 5 7 2 5 13 1 6 8 2 6 14 1 7 17 1 8 18 1 9 13 2 9 19 1 10 14 1 11 15 1 12 17 1 12 18 1 14 15 2 15 20 1 16 19 1 16 20 1 17 19 2 18 20 2', '20 22 C 22.67 -11.78 C 20.26 -8.99 O 16.61 -9.67 O 11.81 -11.06 C 13.00 -13.22 C 20.26 -13.22 C 14.19 -13.86 C 19.05 -13.86 C 14.19 -11.06 O 21.45 -11.06 O 19.05 -9.67 O 16.61 -13.86 C 13.00 -11.78 C 20.26 -11.78 C 19.05 -11.06 C 16.61 -11.06 C 15.41 -13.22 C 17.84 -13.22 C 15.41 -11.78 C 17.84 -11.78 1 10 1 2 11 1 3 16 2 4 13 1 5 7 2 5 13 1 6 8 2 6 14 1 7 17 1 8 18 1 9 13 2 9 19 1 10 14 1 11 15 1 12 17 1 12 18 1 14 15 2 15 20 1 16 19 1 16 20 1 17 19 2 18 20 2', '20 22 C:57 22.67 -11.78 C:61 20.26 -8.99 O 16.61 -9.67 O 11.81 -11.06 C:124 13.00 -13.22 C:121 20.26 -13.22 C:119 14.19 -13.86 C:113 19.05 -13.86 C:109 14.19 -11.06 O 21.45 -11.06 O 19.05 -9.67 O 16.61 -13.86 C:154 13.00 -11.78 C:149 20.26 -11.78 C:147 19.05 -11.06 C:175 16.61 -11.06 C:148 15.41 -13.22 C:150 17.84 -13.22 C:122 15.41 -11.78 C:116 17.84 -11.78 1 10 1 2 11 1 3 16 2 4 13 1 5 7 2 5 13 1 6 8 2 6 14 1 7 17 1 8 18 1 9 13 2 9 19 1 10 14 1 11 15 1 12 17 1 12 18 1 14 15 2 15 20 1 16 19 1 16 20 1 17 19 2 18 20 2', 'C15H12O5', 272.158, 'D', 'pm05_372_3', 3593, '', '', '1', 47, NULL, NULL),
(13985, '', '4-Hydroxy-3-methoxyphenyl ferulate', 'Aromatics', 'Phenyl-alkanoids', 'Phenylpropanoids', '[CH3:3001]O[c:3]2[cH:2][c:1]([CH:7]=[CH:8][C:9](=O)O[c:101]1[cH:106][cH:105][c:104](O)[c:103](O[CH3:103001])[cH:102]1)[cH:6][cH:5][c:4]2O', 'COc2cc(C=CC(=O)Oc1ccc(O)c(OC)c1)ccc2O', '[CH3:56]O[c:147]2[cH:109][c:127]([CH:145]=[CH:115][C:167](=O)O[c:132]1[cH:122][cH:114][c:144](O)[c:146](O[CH3:56])[cH:111]1)[cH:123][cH:115][c:148]2O', '23 24 C:3001 11.77 -15.98 C:103001 22.70 -6.90 O 17.86 -9.69 O 10.57 -13.88 O 23.91 -9.00 C:8 16.65 -11.80 C:7 15.44 -11.09 C:6 12.99 -11.09 C:5 11.77 -11.80 C:105 22.70 -11.09 C:106 21.49 -11.80 C:2 14.21 -13.18 C:102 20.28 -9.69 O 12.99 -15.28 O 21.49 -7.60 O 19.07 -11.80 C:9 17.86 -11.09 C:1 14.21 -11.80 C:4 11.77 -13.18 C:104 22.70 -9.69 C:101 20.28 -11.09 C:3 12.99 -13.88 C:103 21.49 -9.00 1 14 1 2 15 1 3 17 2 4 19 1 5 20 1 6 7 2 6 17 1 7 18 1 8 9 1 8 18 2 9 19 2 10 11 2 10 20 1 11 21 1 12 18 1 12 22 2 13 21 2 13 23 1 14 22 1 15 23 1 16 17 1 16 21 1 19 22 1 20 23 2', '23 24 C 11.77 -15.98 C 22.70 -6.90 O 17.86 -9.69 O 10.57 -13.88 O 23.91 -9.00 C 16.65 -11.80 C 15.44 -11.09 C 12.99 -11.09 C 11.77 -11.80 C 22.70 -11.09 C 21.49 -11.80 C 14.21 -13.18 C 20.28 -9.69 O 12.99 -15.28 O 21.49 -7.60 O 19.07 -11.80 C 17.86 -11.09 C 14.21 -11.80 C 11.77 -13.18 C 22.70 -9.69 C 20.28 -11.09 C 12.99 -13.88 C 21.49 -9.00 1 14 1 2 15 1 3 17 2 4 19 1 5 20 1 6 7 2 6 17 1 7 18 1 8 9 1 8 18 2 9 19 2 10 11 2 10 20 1 11 21 1 12 18 1 12 22 2 13 21 2 13 23 1 14 22 1 15 23 1 16 17 1 16 21 1 19 22 1 20 23 2', '23 24 C:56 11.77 -15.98 C:56 22.70 -6.90 O 17.86 -9.69 O 10.57 -13.88 O 23.91 -9.00 C:115 16.65 -11.80 C:145 15.44 -11.09 C:123 12.99 -11.09 C:115 11.77 -11.80 C:114 22.70 -11.09 C:122 21.49 -11.80 C:109 14.21 -13.18 C:111 20.28 -9.69 O 12.99 -15.28 O 21.49 -7.60 O 19.07 -11.80 C:167 17.86 -11.09 C:127 14.21 -11.80 C:148 11.77 -13.18 C:144 22.70 -9.69 C:132 20.28 -11.09 C:147 12.99 -13.88 C:146 21.49 -9.00 1 14 1 2 15 1 3 17 2 4 19 1 5 20 1 6 7 2 6 17 1 7 18 1 8 9 1 8 18 2 9 19 2 10 11 2 10 20 1 11 21 1 12 18 1 12 22 2 13 21 2 13 23 1 14 22 1 15 23 1 16 17 1 16 21 1 19 22 1 20 23 2', 'C17H16O6', 316.178, 'C', 'pm05_680_4', 3594, '', '', '1', 47, NULL, NULL),
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(13999, 'Cowanin', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[c:6](O)[cH:5][c:10001]2o[c:4001]1[cH:4][c:3](O)[c:2]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:1](O)[c:9001]1[c:9](=O)[c:8001]2[c:8]3[CH2:201][CH:202]=[C:203]([CH3:204])[CH2:205][CH2:206][CH:207]=[C:208]([CH3:209])[CH3:210]', 'COc3c(O)cc2oc1cc(O)c(CC=C(C)C)c(O)c1c(=O)c2c3CC=C(C)CCC=C(C)C', '[CH3:60]O[c:143]3[c:157](O)[cH:102][c:155]2o[c:154]1[cH:92][c:162](O)[c:110]([CH2:21][CH:123]=[C:130]([CH3:25])[CH3:18])[c:160](O)[c:102]1[c:181](=O)[c:110]2[c:136]3[CH2:26][CH:124]=[C:134]([CH3:16])[CH2:39][CH2:26][CH:124]=[C:130]([CH3:17])[CH3:25]', '35 37 C:7001 10.58 -10.73 C:209 19.03 -10.05 C:210 20.23 -7.95 C:105 23.88 -12.82 C:104 22.66 -10.73 C:204 12.96 -7.90 O 15.40 -10.73 O 20.23 -14.94 O 10.58 -14.94 O 17.83 -10.73 C:207 17.83 -7.94 C:102 21.45 -12.82 C:202 14.18 -10.01 C:4 17.83 -14.94 C:5 12.96 -14.94 C:206 16.63 -8.63 C:101 20.23 -12.11 C:201 12.95 -10.72 C:205 15.40 -7.92 O 10.58 -12.11 O 15.40 -14.94 C:208 19.03 -8.65 C:103 22.66 -12.11 C:203 14.18 -8.61 C:3 19.03 -14.23 C:6 11.75 -14.23 C:1 17.83 -12.11 C:2 19.03 -12.82 C:8 12.96 -12.11 C:7 11.75 -12.82 C:9 15.40 -12.11 C:4001 16.63 -14.23 C:10001 14.18 -14.23 C:9001 16.63 -12.82 C:8001 14.18 -12.82 1 20 1 2 22 1 3 22 1 4 23 1 5 23 1 6 24 1 7 31 2 8 25 1 9 26 1 10 27 1 11 16 1 11 22 2 12 17 1 12 23 2 13 18 1 13 24 2 14 25 2 14 32 1 15 26 2 15 33 1 16 19 1 17 28 1 18 29 1 19 24 1 20 30 1 21 32 1 21 33 1 25 28 1 26 30 1 27 28 2 27 34 1 29 30 2 29 35 1 31 34 1 31 35 1 32 34 2 33 35 2', '35 37 C 10.58 -10.73 C 19.03 -10.05 C 20.23 -7.95 C 23.88 -12.82 C 22.66 -10.73 C 12.96 -7.90 O 15.40 -10.73 O 20.23 -14.94 O 10.58 -14.94 O 17.83 -10.73 C 17.83 -7.94 C 21.45 -12.82 C 14.18 -10.01 C 17.83 -14.94 C 12.96 -14.94 C 16.63 -8.63 C 20.23 -12.11 C 12.95 -10.72 C 15.40 -7.92 O 10.58 -12.11 O 15.40 -14.94 C 19.03 -8.65 C 22.66 -12.11 C 14.18 -8.61 C 19.03 -14.23 C 11.75 -14.23 C 17.83 -12.11 C 19.03 -12.82 C 12.96 -12.11 C 11.75 -12.82 C 15.40 -12.11 C 16.63 -14.23 C 14.18 -14.23 C 16.63 -12.82 C 14.18 -12.82 1 20 1 2 22 1 3 22 1 4 23 1 5 23 1 6 24 1 7 31 2 8 25 1 9 26 1 10 27 1 11 16 1 11 22 2 12 17 1 12 23 2 13 18 1 13 24 2 14 25 2 14 32 1 15 26 2 15 33 1 16 19 1 17 28 1 18 29 1 19 24 1 20 30 1 21 32 1 21 33 1 25 28 1 26 30 1 27 28 2 27 34 1 29 30 2 29 35 1 31 34 1 31 35 1 32 34 2 33 35 2', '35 37 C:60 10.58 -10.73 C:17 19.03 -10.05 C:25 20.23 -7.95 C:25 23.88 -12.82 C:18 22.66 -10.73 C:16 12.96 -7.90 O 15.40 -10.73 O 20.23 -14.94 O 10.58 -14.94 O 17.83 -10.73 C:124 17.83 -7.94 C:123 21.45 -12.82 C:124 14.18 -10.01 C:92 17.83 -14.94 C:102 12.96 -14.94 C:26 16.63 -8.63 C:21 20.23 -12.11 C:26 12.95 -10.72 C:39 15.40 -7.92 O 10.58 -12.11 O 15.40 -14.94 C:130 19.03 -8.65 C:130 22.66 -12.11 C:134 14.18 -8.61 C:162 19.03 -14.23 C:157 11.75 -14.23 C:160 17.83 -12.11 C:110 19.03 -12.82 C:136 12.96 -12.11 C:143 11.75 -12.82 C:181 15.40 -12.11 C:154 16.63 -14.23 C:155 14.18 -14.23 C:102 16.63 -12.82 C:110 14.18 -12.82 1 20 1 2 22 1 3 22 1 4 23 1 5 23 1 6 24 1 7 31 2 8 25 1 9 26 1 10 27 1 11 16 1 11 22 2 12 17 1 12 23 2 13 18 1 13 24 2 14 25 2 14 32 1 15 26 2 15 33 1 16 19 1 17 28 1 18 29 1 19 24 1 20 30 1 21 32 1 21 33 1 25 28 1 26 30 1 27 28 2 27 34 1 29 30 2 29 35 1 31 34 1 31 35 1 32 34 2 33 35 2', 'C29H34O6', 478.307, 'D', 'pm98_370_2', 3600, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(14014, '3,6-Dihydroxy-2-hydroxymethyl-9,10-anthraquinone', '', 'Aromatics', 'Anthraquinones', 'Anthraquinones', 'O=[c:9]2[c:8001]1[cH:8][cH:7][c:6](O)[cH:5][c:10001]1[c:10](=O)[c:4001]3[cH:4][c:3](O)[c:2]([CH2:2001]O)[cH:1][c:9001]23', 'O=c2c1ccc(O)cc1c(=O)c3cc(O)c(CO)cc23', 'O=[c:182]2[c:127]1[cH:131][cH:123][c:164](O)[cH:114][c:137]1[c:184](=O)[c:127]3[cH:113][c:161](O)[c:138]([CH2:59]O)[cH:128][c:135]23', '20 22 O 15.49 -7.77 O 15.49 -13.36 O 21.58 -9.87 O 10.66 -11.98 O 20.36 -11.98 C:7 11.87 -9.87 C:8 13.06 -9.17 C:5 13.06 -11.97 C:4 17.94 -11.98 C:1 17.94 -9.17 C:2001 20.36 -9.17 C:6 11.87 -11.27 C:3 19.15 -11.27 C:2 19.15 -9.87 C:9 15.49 -9.17 C:10 15.49 -11.98 C:8001 14.25 -9.87 C:10001 14.25 -11.27 C:4001 16.73 -11.27 C:9001 16.73 -9.87 1 15 2 2 16 2 3 11 1 4 12 1 5 13 1 6 7 2 6 12 1 7 17 1 8 12 2 8 18 1 9 13 2 9 19 1 10 14 2 10 20 1 11 14 1 13 14 1 15 17 1 15 20 1 16 18 1 16 19 1 17 18 2 19 20 2', '20 22 O 15.49 -7.77 O 15.49 -13.36 O 21.58 -9.87 O 10.66 -11.98 O 20.36 -11.98 C 11.87 -9.87 C 13.06 -9.17 C 13.06 -11.97 C 17.94 -11.98 C 17.94 -9.17 C 20.36 -9.17 C 11.87 -11.27 C 19.15 -11.27 C 19.15 -9.87 C 15.49 -9.17 C 15.49 -11.98 C 14.25 -9.87 C 14.25 -11.27 C 16.73 -11.27 C 16.73 -9.87 1 15 2 2 16 2 3 11 1 4 12 1 5 13 1 6 7 2 6 12 1 7 17 1 8 12 2 8 18 1 9 13 2 9 19 1 10 14 2 10 20 1 11 14 1 13 14 1 15 17 1 15 20 1 16 18 1 16 19 1 17 18 2 19 20 2', '20 22 O 15.49 -7.77 O 15.49 -13.36 O 21.58 -9.87 O 10.66 -11.98 O 20.36 -11.98 C:123 11.87 -9.87 C:131 13.06 -9.17 C:114 13.06 -11.97 C:113 17.94 -11.98 C:128 17.94 -9.17 C:59 20.36 -9.17 C:164 11.87 -11.27 C:161 19.15 -11.27 C:138 19.15 -9.87 C:182 15.49 -9.17 C:184 15.49 -11.98 C:127 14.25 -9.87 C:137 14.25 -11.27 C:127 16.73 -11.27 C:135 16.73 -9.87 1 15 2 2 16 2 3 11 1 4 12 1 5 13 1 6 7 2 6 12 1 7 17 1 8 12 2 8 18 1 9 13 2 9 19 1 10 14 2 10 20 1 11 14 1 13 14 1 15 17 1 15 20 1 16 18 1 16 19 1 17 18 2 19 20 2', 'C15H10O5', 270.158, 'D', 'cpb02_1035_10', 3602, '', '', '1', 1, NULL, NULL),
(14015, 'Rubiawallin-A1', '', 'Aromatics', 'Anthraquinones', 'Anthraquinones', '[CH3:6001]O[c:6]3[cH:7][cH:8][c:8001]2[c:9](=O)[c:9001]1[c:1](O)[c:2](O[CH3:2001])[cH:3][cH:4][c:4001]1[c:10](=O)[c:10001]2[cH:5]3', 'COc3ccc2c(=O)c1c(O)c(OC)ccc1c(=O)c2c3', '[CH3:56]O[c:165]3[cH:120][cH:129][c:127]2[c:189](=O)[c:116]1[c:153](O)[c:154](O[CH3:57])[cH:115][cH:121][c:126]1[c:182](=O)[c:136]2[cH:110]3', '21 23 C:6001 10.09 -11.32 C:2001 22.21 -9.90 O 16.12 -13.39 O 16.12 -7.80 O 18.57 -7.80 C:7 12.51 -9.90 C:3 19.78 -11.32 C:8 13.70 -9.20 C:4 18.57 -12.00 C:5 13.70 -12.00 O 11.30 -12.01 O 20.99 -9.20 C:6 12.51 -11.32 C:2 19.78 -9.90 C:1 18.57 -9.20 C:10 16.12 -12.00 C:9 16.12 -9.20 C:8001 14.89 -9.90 C:4001 17.36 -11.32 C:10001 14.89 -11.32 C:9001 17.36 -9.90 1 11 1 2 12 1 3 16 2 4 17 2 5 15 1 6 8 2 6 13 1 7 9 2 7 14 1 8 18 1 9 19 1 10 13 2 10 20 1 11 13 1 12 14 1 14 15 2 15 21 1 16 19 1 16 20 1 17 18 1 17 21 1 18 20 2 19 21 2', '21 23 C 10.09 -11.32 C 22.21 -9.90 O 16.12 -13.39 O 16.12 -7.80 O 18.57 -7.80 C 12.51 -9.90 C 19.78 -11.32 C 13.70 -9.20 C 18.57 -12.00 C 13.70 -12.00 O 11.30 -12.01 O 20.99 -9.20 C 12.51 -11.32 C 19.78 -9.90 C 18.57 -9.20 C 16.12 -12.00 C 16.12 -9.20 C 14.89 -9.90 C 17.36 -11.32 C 14.89 -11.32 C 17.36 -9.90 1 11 1 2 12 1 3 16 2 4 17 2 5 15 1 6 8 2 6 13 1 7 9 2 7 14 1 8 18 1 9 19 1 10 13 2 10 20 1 11 13 1 12 14 1 14 15 2 15 21 1 16 19 1 16 20 1 17 18 1 17 21 1 18 20 2 19 21 2', '21 23 C:56 10.09 -11.32 C:57 22.21 -9.90 O 16.12 -13.39 O 16.12 -7.80 O 18.57 -7.80 C:120 12.51 -9.90 C:115 19.78 -11.32 C:129 13.70 -9.20 C:121 18.57 -12.00 C:110 13.70 -12.00 O 11.30 -12.01 O 20.99 -9.20 C:165 12.51 -11.32 C:154 19.78 -9.90 C:153 18.57 -9.20 C:182 16.12 -12.00 C:189 16.12 -9.20 C:127 14.89 -9.90 C:126 17.36 -11.32 C:136 14.89 -11.32 C:116 17.36 -9.90 1 11 1 2 12 1 3 16 2 4 17 2 5 15 1 6 8 2 6 13 1 7 9 2 7 14 1 8 18 1 9 19 1 10 13 2 10 20 1 11 13 1 12 14 1 14 15 2 15 21 1 16 19 1 16 20 1 17 18 1 17 21 1 18 20 2 19 21 2', 'C16H12O5', 284.168, 'C', 'cpb03_948_1', 3603, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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