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
(19020, 'Salasones D', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C:3](=O)[C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][C@H:15](O)[C@:14]45[CH2:26]O', '[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(C)[C@]3([H])C[C@@](C)(C)CC[C@]3(C)C[C@H](O)[C@]45CO', '[H][C@@:60]12[CH2:23][CH2:43][C:212](=O)[C@H:58]([CH3:7])[C@@:42]1([CH3:14])[CH2:42][CH2:23][C@@:54]4([H])[C@@:38]2([CH3:17])[CH2:37][CH2:32][C@@:41]5([CH3:20])[C@:43]3([H])[CH2:32][C@@:28]([CH3:36])([CH3:31])[CH2:36][CH2:40][C@:31]3([CH3:33])[CH2:48][C@H:76](O)[C@:47]45[CH2:66]O', '36 40 H 15.36 -11.69 H 17.86 -11.69 H 20.35 -11.01 C:23 14.14 -16.30 C:29 22.38 -6.53 C:30 20.69 -6.58 C:28 21.57 -9.16 C:24 15.36 -15.59 C:25 16.62 -13.44 C:27 19.09 -9.16 O 11.70 -14.84 O 19.09 -14.84 O 20.35 -14.12 C:26 19.09 -13.44 C:2 12.91 -12.72 C:21 22.81 -8.44 C:1 14.14 -12.01 C:22 22.81 -9.88 C:7 17.86 -14.15 C:6 16.62 -14.84 C:11 16.62 -10.59 C:12 17.86 -9.88 C:16 21.57 -12.01 C:19 20.35 -8.44 C:3 12.91 -14.15 C:4 14.14 -14.86 C:15 20.35 -12.72 C:20 21.57 -7.73 C:17 21.57 -10.59 C:10 15.36 -12.72 C:8 17.86 -12.72 C:18 20.35 -9.88 C:5 15.36 -14.15 C:9 16.62 -12.01 C:13 19.09 -10.59 C:14 19.09 -12.01 30 1 -2 31 2 -2 32 3 -1 26 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -1 35 10 -2 11 25 2 12 14 1 27 13 -2 36 14 -1 15 17 1 15 25 1 16 18 1 16 28 1 17 30 1 18 29 1 19 20 1 19 31 1 20 33 1 21 22 1 21 34 1 22 35 1 23 27 1 23 29 1 24 28 1 24 32 1 25 26 1 26 33 1 27 36 1 29 32 1 30 33 1 30 34 1 31 34 1 31 36 1 32 35 1 35 36 1', '36 40 H 15.36 -11.69 H 17.86 -11.69 H 20.35 -11.01 C 14.14 -16.30 C 22.38 -6.53 C 20.69 -6.58 C 21.57 -9.16 C 15.36 -15.59 C 16.62 -13.44 C 19.09 -9.16 O 11.70 -14.84 O 19.09 -14.84 O 20.35 -14.12 C 19.09 -13.44 C 12.91 -12.72 C 22.81 -8.44 C 14.14 -12.01 C 22.81 -9.88 C 17.86 -14.15 C 16.62 -14.84 C 16.62 -10.59 C 17.86 -9.88 C 21.57 -12.01 C 20.35 -8.44 C 12.91 -14.15 C 14.14 -14.86 C 20.35 -12.72 C 21.57 -7.73 C 21.57 -10.59 C 15.36 -12.72 C 17.86 -12.72 C 20.35 -9.88 C 15.36 -14.15 C 16.62 -12.01 C 19.09 -10.59 C 19.09 -12.01 30 1 -2 31 2 -2 32 3 -1 26 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -1 35 10 -2 11 25 2 12 14 1 27 13 -2 36 14 -1 15 17 1 15 25 1 16 18 1 16 28 1 17 30 1 18 29 1 19 20 1 19 31 1 20 33 1 21 22 1 21 34 1 22 35 1 23 27 1 23 29 1 24 28 1 24 32 1 25 26 1 26 33 1 27 36 1 29 32 1 30 33 1 30 34 1 31 34 1 31 36 1 32 35 1 35 36 1', '36 40 H 15.36 -11.69 H 17.86 -11.69 H 20.35 -11.01 C:7 14.14 -16.30 C:36 22.38 -6.53 C:31 20.69 -6.58 C:33 21.57 -9.16 C:14 15.36 -15.59 C:17 16.62 -13.44 C:20 19.09 -9.16 O 11.70 -14.84 O 19.09 -14.84 O 20.35 -14.12 C:66 19.09 -13.44 C:43 12.91 -12.72 C:36 22.81 -8.44 C:23 14.14 -12.01 C:40 22.81 -9.88 C:23 17.86 -14.15 C:42 16.62 -14.84 C:37 16.62 -10.59 C:32 17.86 -9.88 C:48 21.57 -12.01 C:32 20.35 -8.44 C:212 12.91 -14.15 C:58 14.14 -14.86 C:76 20.35 -12.72 C:28 21.57 -7.73 C:31 21.57 -10.59 C:60 15.36 -12.72 C:54 17.86 -12.72 C:43 20.35 -9.88 C:42 15.36 -14.15 C:38 16.62 -12.01 C:41 19.09 -10.59 C:47 19.09 -12.01 30 1 -2 31 2 -2 32 3 -1 26 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -1 35 10 -2 11 25 2 12 14 1 27 13 -2 36 14 -1 15 17 1 15 25 1 16 18 1 16 28 1 17 30 1 18 29 1 19 20 1 19 31 1 20 33 1 21 22 1 21 34 1 22 35 1 23 27 1 23 29 1 24 28 1 24 32 1 25 26 1 26 33 1 27 36 1 29 32 1 30 33 1 30 34 1 31 34 1 31 36 1 32 35 1 35 36 1', 'C30H50O3', 458.343, 'P', 'cpb03_1051_1', 4763, '', '', '1', 47, NULL, NULL),
(19021, 'Salasones E', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C:3](=O)[C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][C@@H:7](O)[C@@:8]5([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]4([CH3:27])[C@:18]3([H])[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][CH2:15][C@@:14]45[CH2:26]O', '[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)C[C@@H](O)[C@@]5([H])[C@@]2(C)CC[C@@]4(C)[C@]3([H])C[C@](C)(C)CC[C@]3(C)CC[C@@]45CO', '[H][C@@:59]12[CH2:36][CH2:41][C:212](=O)[C@H:58]([CH3:7])[C@@:43]1([CH3:16])[CH2:50][C@@H:69](O)[C@@:58]5([H])[C@@:39]2([CH3:19])[CH2:36][CH2:30][C@@:40]4([CH3:20])[C@:43]3([H])[CH2:22][C@:28]([CH3:31])([CH3:35])[CH2:32][CH2:39][C@:30]3([CH3:31])[CH2:36][CH2:27][C@@:44]45[CH2:64]O', '36 40 H 15.37 -11.70 H 20.37 -11.02 H 17.87 -11.70 C:23 14.15 -16.31 C:30 20.71 -6.59 C:29 22.40 -6.53 C:28 21.59 -9.17 C:24 15.37 -15.60 C:25 16.63 -13.45 C:27 19.10 -9.17 O 11.71 -14.85 O 20.31 -14.16 O 19.08 -14.88 C:26 19.10 -13.45 C:2 12.92 -12.73 C:21 22.83 -8.45 C:1 14.15 -12.02 C:22 22.83 -9.89 C:16 21.59 -12.02 C:11 16.63 -10.60 C:12 17.87 -9.89 C:15 20.37 -12.73 C:6 16.63 -14.85 C:19 20.37 -8.45 C:3 12.92 -14.16 C:4 14.15 -14.85 C:7 17.87 -14.16 C:20 21.59 -7.74 C:17 21.59 -10.60 C:10 15.37 -12.73 C:18 20.37 -9.89 C:5 15.37 -14.16 C:9 16.63 -12.02 C:13 19.10 -10.60 C:8 17.87 -12.73 C:14 19.10 -12.02 30 1 -2 31 2 -1 35 3 -2 26 4 -1 28 5 -1 28 6 -2 29 7 -1 32 8 -1 33 9 -1 34 10 -2 11 25 2 12 14 1 27 13 -2 36 14 -1 15 17 1 15 25 1 16 18 1 16 28 1 17 30 1 18 29 1 19 22 1 19 29 1 20 21 1 20 33 1 21 34 1 22 36 1 23 27 1 23 32 1 24 28 1 24 31 1 25 26 1 26 32 1 27 35 1 29 31 1 30 32 1 30 33 1 31 34 1 33 35 1 34 36 1 35 36 1', '36 40 H 15.37 -11.70 H 20.37 -11.02 H 17.87 -11.70 C 14.15 -16.31 C 20.71 -6.59 C 22.40 -6.53 C 21.59 -9.17 C 15.37 -15.60 C 16.63 -13.45 C 19.10 -9.17 O 11.71 -14.85 O 20.31 -14.16 O 19.08 -14.88 C 19.10 -13.45 C 12.92 -12.73 C 22.83 -8.45 C 14.15 -12.02 C 22.83 -9.89 C 21.59 -12.02 C 16.63 -10.60 C 17.87 -9.89 C 20.37 -12.73 C 16.63 -14.85 C 20.37 -8.45 C 12.92 -14.16 C 14.15 -14.85 C 17.87 -14.16 C 21.59 -7.74 C 21.59 -10.60 C 15.37 -12.73 C 20.37 -9.89 C 15.37 -14.16 C 16.63 -12.02 C 19.10 -10.60 C 17.87 -12.73 C 19.10 -12.02 30 1 -2 31 2 -1 35 3 -2 26 4 -1 28 5 -1 28 6 -2 29 7 -1 32 8 -1 33 9 -1 34 10 -2 11 25 2 12 14 1 27 13 -2 36 14 -1 15 17 1 15 25 1 16 18 1 16 28 1 17 30 1 18 29 1 19 22 1 19 29 1 20 21 1 20 33 1 21 34 1 22 36 1 23 27 1 23 32 1 24 28 1 24 31 1 25 26 1 26 32 1 27 35 1 29 31 1 30 32 1 30 33 1 31 34 1 33 35 1 34 36 1 35 36 1', '36 40 H 15.37 -11.70 H 20.37 -11.02 H 17.87 -11.70 C:7 14.15 -16.31 C:31 20.71 -6.59 C:35 22.40 -6.53 C:31 21.59 -9.17 C:16 15.37 -15.60 C:19 16.63 -13.45 C:20 19.10 -9.17 O 11.71 -14.85 O 20.31 -14.16 O 19.08 -14.88 C:64 19.10 -13.45 C:41 12.92 -12.73 C:32 22.83 -8.45 C:36 14.15 -12.02 C:39 22.83 -9.89 C:36 21.59 -12.02 C:36 16.63 -10.60 C:30 17.87 -9.89 C:27 20.37 -12.73 C:50 16.63 -14.85 C:22 20.37 -8.45 C:212 12.92 -14.16 C:58 14.15 -14.85 C:69 17.87 -14.16 C:28 21.59 -7.74 C:30 21.59 -10.60 C:59 15.37 -12.73 C:43 20.37 -9.89 C:43 15.37 -14.16 C:39 16.63 -12.02 C:40 19.10 -10.60 C:58 17.87 -12.73 C:44 19.10 -12.02 30 1 -2 31 2 -1 35 3 -2 26 4 -1 28 5 -1 28 6 -2 29 7 -1 32 8 -1 33 9 -1 34 10 -2 11 25 2 12 14 1 27 13 -2 36 14 -1 15 17 1 15 25 1 16 18 1 16 28 1 17 30 1 18 29 1 19 22 1 19 29 1 20 21 1 20 33 1 21 34 1 22 36 1 23 27 1 23 32 1 24 28 1 24 31 1 25 26 1 26 32 1 27 35 1 29 31 1 30 32 1 30 33 1 31 34 1 33 35 1 34 36 1 35 36 1', 'C30H50O3', 458.343, 'C', 'cpb03_1051_2', 4763, '', '', '1', 47, NULL, NULL),
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(19027, '', '(E,2S,3S,4aR,6S,7S,8aR)-7-Chloro-2-ethyl-6-(pent-2-en-4-ynyl)-octahydro-pyrano[3,2-b]pyran-3-ol', 'Polyketides', 'Acetogenins', '', '[H][C@@:10]12[CH2:11][C@H:12](O)[C@H:13]([CH2:14][CH3:15])O[C@:9]1([H])[CH2:8][C@H:7](Cl)[C@H:6]([CH2:5][CH:4]=[CH:3][C:2]#[CH:1])O2', '[H][C@@]12C[C@H](O)[C@H](CC)O[C@]1([H])C[C@H](Cl)[C@H](CC=CC#C)O2', '[H][C@@:74]12[CH2:35][C@H:65](O)[C@H:82]([CH2:25][CH3:10])O[C@:71]1([H])[CH2:37][C@H:54](Cl)[C@H:79]([CH2:37][CH:141]=[CH:112][C:82]#[CH:77])O2', '21 22 H 15.42 -9.70 H 15.42 -13.19 C:1 24.01 -11.55 C:15 10.43 -12.17 O 11.68 -10.01 Cl 19.17 -12.89 C:2 22.87 -10.73 C:3 21.67 -10.01 C:4 20.44 -10.73 C:14 11.68 -12.89 C:5 19.17 -10.01 C:11 14.18 -10.01 C:8 16.70 -12.89 O 14.18 -12.89 O 16.70 -10.01 C:12 12.93 -10.73 C:7 17.93 -12.17 C:13 12.93 -12.17 C:6 17.93 -10.73 C:10 15.42 -10.73 C:9 15.42 -12.17 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -1 19 11 -1 12 16 1 12 20 1 13 17 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 18 1 17 19 1 20 21 1', '21 22 H 15.42 -9.70 H 15.42 -13.19 C 24.01 -11.55 C 10.43 -12.17 O 11.68 -10.01 Cl 19.17 -12.89 C 22.87 -10.73 C 21.67 -10.01 C 20.44 -10.73 C 11.68 -12.89 C 19.17 -10.01 C 14.18 -10.01 C 16.70 -12.89 O 14.18 -12.89 O 16.70 -10.01 C 12.93 -10.73 C 17.93 -12.17 C 12.93 -12.17 C 17.93 -10.73 C 15.42 -10.73 C 15.42 -12.17 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -1 19 11 -1 12 16 1 12 20 1 13 17 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 18 1 17 19 1 20 21 1', '21 22 H 15.42 -9.70 H 15.42 -13.19 C:77 24.01 -11.55 C:10 10.43 -12.17 O 11.68 -10.01 Cl 19.17 -12.89 C:82 22.87 -10.73 C:112 21.67 -10.01 C:141 20.44 -10.73 C:25 11.68 -12.89 C:37 19.17 -10.01 C:35 14.18 -10.01 C:37 16.70 -12.89 O 14.18 -12.89 O 16.70 -10.01 C:65 12.93 -10.73 C:54 17.93 -12.17 C:82 12.93 -12.17 C:79 17.93 -10.73 C:74 15.42 -10.73 C:71 15.42 -12.17 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -1 19 11 -1 12 16 1 12 20 1 13 17 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 18 1 17 19 1 20 21 1', 'C15H21ClO3', 284.627, 'C', 'agw06_7199_4', 4765, '', '', '1', 55, NULL, NULL),
(19028, '', '(2S, 3R, 4aR, 6S, 7R, 8aR)-2,6-diallyl-octahydropyrano[3,2-b]pyran-3,7-diol', 'Polyketides', 'Acetogenins', '', '[H][C@@:10]12[CH2:11][C@@H:12](O)[C@H:13]([CH2:14][CH:15]=[CH2:16])O[C@:9]1([H])[CH2:8][C@@H:7](O)[C@H:6]([CH2:5][CH:4]=[CH2:3])O2', '[H][C@@]12C[C@@H](O)[C@H](CC=C)O[C@]1([H])C[C@@H](O)[C@H](CC=C)O2', '[H][C@@:74]12[CH2:38][C@@H:66](O)[C@H:81]([CH2:37][CH:135]=[CH2:117])O[C@:74]1([H])[CH2:38][C@@H:66](O)[C@H:81]([CH2:37][CH:135]=[CH2:117])O2', '20 21 H 17.23 -9.70 H 17.23 -13.19 C:3 23.48 -10.01 C:16 11.02 -12.87 O 13.49 -10.01 O 20.98 -12.89 C:4 22.25 -10.73 C:15 12.23 -12.17 C:5 20.98 -10.01 C:14 13.49 -12.89 C:11 15.99 -10.01 C:8 18.51 -12.89 O 18.51 -10.01 O 15.99 -12.89 C:12 14.74 -10.73 C:7 19.74 -12.17 C:6 19.74 -10.73 C:13 14.74 -12.17 C:10 17.23 -10.73 C:9 17.23 -12.17 19 1 -2 20 2 -2 3 7 2 4 8 2 15 5 -2 16 6 -2 7 9 1 8 10 1 17 9 -1 18 10 -1 11 15 1 11 19 1 12 16 1 12 20 1 13 17 1 13 19 1 14 18 1 14 20 1 15 18 1 16 17 1 19 20 1', '20 21 H 17.23 -9.70 H 17.23 -13.19 C 23.48 -10.01 C 11.02 -12.87 O 13.49 -10.01 O 20.98 -12.89 C 22.25 -10.73 C 12.23 -12.17 C 20.98 -10.01 C 13.49 -12.89 C 15.99 -10.01 C 18.51 -12.89 O 18.51 -10.01 O 15.99 -12.89 C 14.74 -10.73 C 19.74 -12.17 C 19.74 -10.73 C 14.74 -12.17 C 17.23 -10.73 C 17.23 -12.17 19 1 -2 20 2 -2 3 7 2 4 8 2 15 5 -2 16 6 -2 7 9 1 8 10 1 17 9 -1 18 10 -1 11 15 1 11 19 1 12 16 1 12 20 1 13 17 1 13 19 1 14 18 1 14 20 1 15 18 1 16 17 1 19 20 1', '20 21 H 17.23 -9.70 H 17.23 -13.19 C:117 23.48 -10.01 C:117 11.02 -12.87 O 13.49 -10.01 O 20.98 -12.89 C:135 22.25 -10.73 C:135 12.23 -12.17 C:37 20.98 -10.01 C:37 13.49 -12.89 C:38 15.99 -10.01 C:38 18.51 -12.89 O 18.51 -10.01 O 15.99 -12.89 C:66 14.74 -10.73 C:66 19.74 -12.17 C:81 19.74 -10.73 C:81 14.74 -12.17 C:74 17.23 -10.73 C:74 17.23 -12.17 19 1 -2 20 2 -2 3 7 2 4 8 2 15 5 -2 16 6 -2 7 9 1 8 10 1 17 9 -1 18 10 -1 11 15 1 11 19 1 12 16 1 12 20 1 13 17 1 13 19 1 14 18 1 14 20 1 15 18 1 16 17 1 19 20 1', 'C14H22O4', 254.163, 'C', 'agw06_7199_10', 4765, '', '', '1', 55, NULL, NULL),
(19029, '', '(2R, 3R, 4aR, 6S, 7R, 8aR)-2,6-diallyloctahydropyrano[3,2-b]pyran-3,7-diol', 'Polyketides', 'Acetogenins', '', '[H][C@@:10]12[CH2:11][C@@H:12](O)[C@@H:13]([CH2:14][CH:15]=[CH2:16])O[C@:9]1([H])[CH2:8][C@@H:7](O)[C@H:6]([CH2:5][CH:4]=[CH2:3])O2', '[H][C@@]12C[C@@H](O)[C@@H](CC=C)O[C@]1([H])C[C@@H](O)[C@H](CC=C)O2', '[H][C@@:73]12[CH2:33][C@@H:64](O)[C@@H:76]([CH2:37][CH:135]=[CH2:117])O[C@:66]1([H])[CH2:37][C@@H:65](O)[C@H:81]([CH2:28][CH:135]=[CH2:117])O2', '20 21 H 17.23 -9.70 H 17.23 -13.19 C:3 23.48 -10.01 C:16 11.02 -12.87 O 13.49 -10.01 O 20.98 -12.89 C:4 22.25 -10.73 C:15 12.23 -12.17 C:5 20.98 -10.01 C:14 13.49 -12.89 C:11 15.99 -10.01 C:8 18.51 -12.89 O 18.51 -10.01 O 15.99 -12.89 C:12 14.74 -10.73 C:7 19.74 -12.17 C:6 19.74 -10.73 C:13 14.74 -12.17 C:10 17.23 -10.73 C:9 17.23 -12.17 19 1 -2 20 2 -2 3 7 2 4 8 2 15 5 -2 16 6 -2 7 9 1 8 10 1 17 9 -1 18 10 -2 11 15 1 11 19 1 12 16 1 12 20 1 13 17 1 13 19 1 14 18 1 14 20 1 15 18 1 16 17 1 19 20 1', '20 21 H 17.23 -9.70 H 17.23 -13.19 C 23.48 -10.01 C 11.02 -12.87 O 13.49 -10.01 O 20.98 -12.89 C 22.25 -10.73 C 12.23 -12.17 C 20.98 -10.01 C 13.49 -12.89 C 15.99 -10.01 C 18.51 -12.89 O 18.51 -10.01 O 15.99 -12.89 C 14.74 -10.73 C 19.74 -12.17 C 19.74 -10.73 C 14.74 -12.17 C 17.23 -10.73 C 17.23 -12.17 19 1 -2 20 2 -2 3 7 2 4 8 2 15 5 -2 16 6 -2 7 9 1 8 10 1 17 9 -1 18 10 -2 11 15 1 11 19 1 12 16 1 12 20 1 13 17 1 13 19 1 14 18 1 14 20 1 15 18 1 16 17 1 19 20 1', '20 21 H 17.23 -9.70 H 17.23 -13.19 C:117 23.48 -10.01 C:117 11.02 -12.87 O 13.49 -10.01 O 20.98 -12.89 C:135 22.25 -10.73 C:135 12.23 -12.17 C:28 20.98 -10.01 C:37 13.49 -12.89 C:33 15.99 -10.01 C:37 18.51 -12.89 O 18.51 -10.01 O 15.99 -12.89 C:64 14.74 -10.73 C:65 19.74 -12.17 C:81 19.74 -10.73 C:76 14.74 -12.17 C:73 17.23 -10.73 C:66 17.23 -12.17 19 1 -2 20 2 -2 3 7 2 4 8 2 15 5 -2 16 6 -2 7 9 1 8 10 1 17 9 -1 18 10 -2 11 15 1 11 19 1 12 16 1 12 20 1 13 17 1 13 19 1 14 18 1 14 20 1 15 18 1 16 17 1 19 20 1', 'C14H22O4', 254.163, 'C', 'agw06_7199_10epi', 4765, '', '', '1', 55, NULL, NULL),
(19030, '', '(Z, 2S, 3R, 4aR, 6S, 7R, 8aR)-2-Ethyl-6-(5’-trimethylsilanyl-pent-2’-en-4’-ynyl)-octahydropyrano[3,2-b]pyran-3,7-diol', 'Polyketides', 'Acetogenins', '', '[H][C@@:9]12[CH2:8][C@@H:7](O)[C@H:6]([CH2:5][CH:4]=[CH:3][C:2]#[C:1][Si]([CH3:102])([CH3:101])[CH3:103])O[C@:10]1([H])[CH2:11][C@@H:12](O)[C@H:13]([CH2:14][CH3:15])O2', '[H][C@@]12C[C@@H](O)[C@H](CC=CC#CS(C)(C)C)O[C@]1([H])C[C@@H](O)[C@H](CC)O2', '[H][C@@:74]12[CH2:38][C@@H:65](O)[C@H:81]([CH2:33][CH:141]=[CH:112][C:100]#[C:103][Si]([CH3:0])([CH3:0])[CH3:0])O[C@:74]1([H])[CH2:37][C@@H:66](O)[C@H:83]([CH2:25][CH3:10])O2', '25 26 H 16.01 -15.87 H 16.01 -12.38 C:15 11.03 -14.85 C:102 22.25 -7.02 C:101 21.01 -7.74 C:103 23.45 -7.71 O 12.28 -12.70 O 19.75 -15.57 C:2 22.25 -11.26 C:1 22.25 -9.81 C:3 22.25 -12.70 C:4 21.01 -13.41 C:14 12.28 -15.57 C:5 19.75 -12.70 C:11 14.77 -12.70 C:8 17.28 -15.57 O 14.77 -15.57 O 17.28 -12.70 C:12 13.52 -13.41 C:7 18.51 -14.85 C:13 13.52 -14.85 C:6 18.51 -13.41 C:9 16.01 -14.85 C:10 16.01 -13.41 Si 22.25 -8.42 23 1 -2 24 2 -2 3 13 1 4 25 1 5 25 1 6 25 1 19 7 -2 20 8 -2 9 10 3 9 11 1 10 25 1 11 12 2 12 14 1 21 13 -1 22 14 -1 15 19 1 15 24 1 16 20 1 16 23 1 17 21 1 17 23 1 18 22 1 18 24 1 19 21 1 20 22 1 23 24 1', '25 26 H 16.01 -15.87 H 16.01 -12.38 C 11.03 -14.85 C 22.25 -7.02 C 21.01 -7.74 C 23.45 -7.71 O 12.28 -12.70 O 19.75 -15.57 C 22.25 -11.26 C 22.25 -9.81 C 22.25 -12.70 C 21.01 -13.41 C 12.28 -15.57 C 19.75 -12.70 C 14.77 -12.70 C 17.28 -15.57 O 14.77 -15.57 O 17.28 -12.70 C 13.52 -13.41 C 18.51 -14.85 C 13.52 -14.85 C 18.51 -13.41 C 16.01 -14.85 C 16.01 -13.41 Si 22.25 -8.42 23 1 -2 24 2 -2 3 13 1 4 25 1 5 25 1 6 25 1 19 7 -2 20 8 -2 9 10 3 9 11 1 10 25 1 11 12 2 12 14 1 21 13 -1 22 14 -1 15 19 1 15 24 1 16 20 1 16 23 1 17 21 1 17 23 1 18 22 1 18 24 1 19 21 1 20 22 1 23 24 1', '25 26 H 16.01 -15.87 H 16.01 -12.38 C:10 11.03 -14.85 C:0 22.25 -7.02 C:0 21.01 -7.74 C:0 23.45 -7.71 O 12.28 -12.70 O 19.75 -15.57 C:100 22.25 -11.26 C:103 22.25 -9.81 C:112 22.25 -12.70 C:141 21.01 -13.41 C:25 12.28 -15.57 C:33 19.75 -12.70 C:37 14.77 -12.70 C:38 17.28 -15.57 O 14.77 -15.57 O 17.28 -12.70 C:66 13.52 -13.41 C:65 18.51 -14.85 C:83 13.52 -14.85 C:81 18.51 -13.41 C:74 16.01 -14.85 C:74 16.01 -13.41 Si 22.25 -8.42 23 1 -2 24 2 -2 3 13 1 4 25 1 5 25 1 6 25 1 19 7 -2 20 8 -2 9 10 3 9 11 1 10 25 1 11 12 2 12 14 1 21 13 -1 22 14 -1 15 19 1 15 24 1 16 20 1 16 23 1 17 21 1 17 23 1 18 22 1 18 24 1 19 21 1 20 22 1 23 24 1', 'C18H30O4S', 342.272, 'C', 'agw06_7199_19', 4765, '', '', '1', 55, 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
(19040, '', '', 'Polyketides', 'Acetogenins', '', '[H][C@@:9]12[CH2:8][C@@:7]([H])(O[C@@H:13]([CH2:14][CH3:15])[C@H:12](O)[CH2:11][C@@H:10]1O)[C@@H:6]([CH2:5][CH:4]=[CH:3][C:2]#[CH:1])O2', '[H][C@@]12C[C@@]([H])(O[C@@H](CC)[C@H](O)C[C@@H]1O)[C@@H](CC=CC#C)O2', '[H][C@@:80]12[CH2:32][C@@:70]([H])(O[C@@H:79]([CH2:22][CH3:11])[C@H:73](O)[CH2:30][C@@H:73]1O)[C@@H:83]([CH2:33][CH:143]=[CH:111][C:82]#[CH:76])O2', '21 22 H 18.31 -13.32 H 15.62 -8.51 C:1 22.65 -8.61 C:15 11.80 -9.63 O 12.70 -13.22 O 16.81 -14.69 C:2 21.33 -8.38 C:3 19.99 -8.15 C:4 19.11 -9.19 C:14 12.28 -10.94 C:5 17.77 -8.96 C:11 14.94 -13.40 C:8 15.62 -11.37 O 14.33 -10.01 O 17.57 -11.18 C:12 13.91 -12.51 C:10 16.31 -13.40 C:13 13.66 -11.18 C:6 16.90 -10.01 C:9 17.34 -12.51 C:7 15.62 -9.52 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 18 1 17 20 1 19 21 1', '21 22 H 18.31 -13.32 H 15.62 -8.51 C 22.65 -8.61 C 11.80 -9.63 O 12.70 -13.22 O 16.81 -14.69 C 21.33 -8.38 C 19.99 -8.15 C 19.11 -9.19 C 12.28 -10.94 C 17.77 -8.96 C 14.94 -13.40 C 15.62 -11.37 O 14.33 -10.01 O 17.57 -11.18 C 13.91 -12.51 C 16.31 -13.40 C 13.66 -11.18 C 16.90 -10.01 C 17.34 -12.51 C 15.62 -9.52 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 18 1 17 20 1 19 21 1', '21 22 H 18.31 -13.32 H 15.62 -8.51 C:76 22.65 -8.61 C:11 11.80 -9.63 O 12.70 -13.22 O 16.81 -14.69 C:82 21.33 -8.38 C:111 19.99 -8.15 C:143 19.11 -9.19 C:22 12.28 -10.94 C:33 17.77 -8.96 C:30 14.94 -13.40 C:32 15.62 -11.37 O 14.33 -10.01 O 17.57 -11.18 C:73 13.91 -12.51 C:73 16.31 -13.40 C:79 13.66 -11.18 C:83 16.90 -10.01 C:80 17.34 -12.51 C:70 15.62 -9.52 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 18 1 17 20 1 19 21 1', 'C15H22O4', 266.174, 'C+C', 'tt10_2855_4', 4768, '', '', '1', 55, NULL, NULL),
(19041, '', '', 'Polyketides', 'Acetogenins', '', '[H][C@@:9]12[CH2:8][C@@:7]([H])(O[C@@H:13]([CH2:14][CH3:15])[C@H:12](Br)[CH2:11][C@@H:10]1O)[C@@H:6]([CH2:5][CH:4]=[CH:3][C:2]#[CH:1])O2', '[H][C@@]12C[C@@]([H])(O[C@@H](CC)[C@H](Br)C[C@@H]1O)[C@@H](CC=CC#C)O2', '[H][C@@:79]12[CH2:33][C@@:70]([H])(O[C@@H:83]([CH2:23][CH3:12])[C@H:52](Br)[CH2:39][C@@H:71]1O)[C@@H:83]([CH2:30][CH:142]=[CH:110][C:81]#[CH:82])O2', '21 22 H 19.65 -14.62 H 16.97 -9.83 C:1 20.41 -6.84 C:15 13.16 -10.94 O 18.16 -15.99 Br 14.06 -14.52 C:2 20.86 -8.15 C:3 21.33 -9.47 C:4 20.45 -10.51 C:14 13.64 -12.25 C:5 19.12 -10.28 C:11 16.29 -14.70 C:8 16.97 -12.68 O 15.69 -11.32 O 18.92 -12.49 C:10 17.66 -14.70 C:12 15.27 -13.82 C:13 15.02 -12.49 C:6 18.25 -11.32 C:9 18.69 -13.82 C:7 16.97 -10.84 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 20 1 17 18 1 19 21 1', '21 22 H 19.65 -14.62 H 16.97 -9.83 C 20.41 -6.84 C 13.16 -10.94 O 18.16 -15.99 Br 14.06 -14.52 C 20.86 -8.15 C 21.33 -9.47 C 20.45 -10.51 C 13.64 -12.25 C 19.12 -10.28 C 16.29 -14.70 C 16.97 -12.68 O 15.69 -11.32 O 18.92 -12.49 C 17.66 -14.70 C 15.27 -13.82 C 15.02 -12.49 C 18.25 -11.32 C 18.69 -13.82 C 16.97 -10.84 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 20 1 17 18 1 19 21 1', '21 22 H 19.65 -14.62 H 16.97 -9.83 C:82 20.41 -6.84 C:12 13.16 -10.94 O 18.16 -15.99 Br 14.06 -14.52 C:81 20.86 -8.15 C:110 21.33 -9.47 C:142 20.45 -10.51 C:23 13.64 -12.25 C:30 19.12 -10.28 C:39 16.29 -14.70 C:33 16.97 -12.68 O 15.69 -11.32 O 18.92 -12.49 C:71 17.66 -14.70 C:52 15.27 -13.82 C:83 15.02 -12.49 C:83 18.25 -11.32 C:79 18.69 -13.82 C:70 16.97 -10.84 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 20 1 17 18 1 19 21 1', 'C15H21BrO3', 329.079, 'C', 'tt10_2855_5', 4768, '', '', '1', 55, NULL, NULL),
(19042, '', '', 'Polyketides', 'Acetogenins', '', '[H][C@@:9]12[CH2:8][C@@:7]([H])(O[C@@H:13]([CH2:14][CH3:15])[C@H:12](Br)[CH2:11][C@@H:10]1O)[C@@H:6]([CH2:5][CH:4]=[CH:3][C:2]#[CH:1])O2', '[H][C@@]12C[C@@]([H])(O[C@@H](CC)[C@H](Br)C[C@@H]1O)[C@@H](CC=CC#C)O2', '[H][C@@:78]12[CH2:33][C@@:70]([H])(O[C@@H:84]([CH2:23][CH3:12])[C@H:52](Br)[CH2:39][C@@H:71]1O)[C@@H:83]([CH2:33][CH:142]=[CH:111][C:82]#[CH:77])O2', '21 22 H 18.31 -13.32 H 15.62 -8.51 C:1 22.65 -8.61 C:15 11.80 -9.63 O 16.81 -14.69 Br 12.70 -13.22 C:2 21.33 -8.38 C:3 19.99 -8.15 C:4 19.11 -9.19 C:14 12.28 -10.94 C:5 17.77 -8.96 C:11 14.94 -13.40 C:8 15.62 -11.37 O 14.33 -10.01 O 17.57 -11.18 C:10 16.31 -13.40 C:12 13.91 -12.51 C:13 13.66 -11.18 C:6 16.90 -10.01 C:9 17.34 -12.51 C:7 15.62 -9.52 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 20 1 17 18 1 19 21 1', '21 22 H 18.31 -13.32 H 15.62 -8.51 C 22.65 -8.61 C 11.80 -9.63 O 16.81 -14.69 Br 12.70 -13.22 C 21.33 -8.38 C 19.99 -8.15 C 19.11 -9.19 C 12.28 -10.94 C 17.77 -8.96 C 14.94 -13.40 C 15.62 -11.37 O 14.33 -10.01 O 17.57 -11.18 C 16.31 -13.40 C 13.91 -12.51 C 13.66 -11.18 C 16.90 -10.01 C 17.34 -12.51 C 15.62 -9.52 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 20 1 17 18 1 19 21 1', '21 22 H 18.31 -13.32 H 15.62 -8.51 C:77 22.65 -8.61 C:12 11.80 -9.63 O 16.81 -14.69 Br 12.70 -13.22 C:82 21.33 -8.38 C:111 19.99 -8.15 C:142 19.11 -9.19 C:23 12.28 -10.94 C:33 17.77 -8.96 C:39 14.94 -13.40 C:33 15.62 -11.37 O 14.33 -10.01 O 17.57 -11.18 C:71 16.31 -13.40 C:52 13.91 -12.51 C:84 13.66 -11.18 C:83 16.90 -10.01 C:78 17.34 -12.51 C:70 15.62 -9.52 20 1 -2 21 2 -2 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -1 12 16 1 12 17 1 13 20 1 13 21 1 14 18 1 14 21 1 15 19 1 15 20 1 16 20 1 17 18 1 19 21 1', 'C15H21BrO3', 329.079, 'C+C', 'tt10_2855_6', 4768, '', '', '1', 55, NULL, NULL),
(19043, '', '', 'Polyketides', 'Acetogenins', '', '[H][C@:10]2([C@@:9]1([H])[CH2:8][C@H:7](Br)[C@@H:6]([CH2:5][CH:4]=[CH:3][C:2]#[CH:1])O1)[CH2:11][C@H:12](Br)[C@@H:13]([CH2:14][CH3:15])O2', '[H][C@]2([C@@]1([H])C[C@H](Br)[C@@H](CC=CC#C)O1)C[C@H](Br)[C@@H](CC)O2', '[H][C@:79]2([C@@:80]1([H])[CH2:39][C@H:48](Br)[C@@H:86]([CH2:37][CH:141]=[CH:112][C:82]#[CH:77])O1)[CH2:39][C@H:49](Br)[C@@H:89]([CH2:27][CH3:10])O2', '21 22 H 14.97 -12.26 H 15.66 -10.60 C:1 24.59 -11.45 C:15 9.89 -12.17 Br 11.14 -10.00 Br 19.55 -12.90 C:2 23.34 -10.72 C:3 22.09 -10.00 C:4 20.83 -10.72 C:14 11.14 -12.90 C:5 19.55 -10.00 C:11 13.77 -10.28 C:8 16.92 -12.62 O 13.77 -12.62 O 16.92 -10.28 C:12 12.39 -10.72 C:7 18.30 -12.17 C:13 12.39 -12.17 C:6 18.30 -10.72 C:10 14.63 -11.45 C:9 16.08 -11.45 20 1 -1 21 2 -1 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -2 12 16 1 12 20 1 13 17 1 13 21 1 14 18 1 14 20 1 15 19 1 15 21 1 16 18 1 17 19 1 20 21 1', '21 22 H 14.97 -12.26 H 15.66 -10.60 C 24.59 -11.45 C 9.89 -12.17 Br 11.14 -10.00 Br 19.55 -12.90 C 23.34 -10.72 C 22.09 -10.00 C 20.83 -10.72 C 11.14 -12.90 C 19.55 -10.00 C 13.77 -10.28 C 16.92 -12.62 O 13.77 -12.62 O 16.92 -10.28 C 12.39 -10.72 C 18.30 -12.17 C 12.39 -12.17 C 18.30 -10.72 C 14.63 -11.45 C 16.08 -11.45 20 1 -1 21 2 -1 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -2 12 16 1 12 20 1 13 17 1 13 21 1 14 18 1 14 20 1 15 19 1 15 21 1 16 18 1 17 19 1 20 21 1', '21 22 H 14.97 -12.26 H 15.66 -10.60 C:77 24.59 -11.45 C:10 9.89 -12.17 Br 11.14 -10.00 Br 19.55 -12.90 C:82 23.34 -10.72 C:112 22.09 -10.00 C:141 20.83 -10.72 C:27 11.14 -12.90 C:37 19.55 -10.00 C:39 13.77 -10.28 C:39 16.92 -12.62 O 13.77 -12.62 O 16.92 -10.28 C:49 12.39 -10.72 C:48 18.30 -12.17 C:89 12.39 -12.17 C:86 18.30 -10.72 C:79 14.63 -11.45 C:80 16.08 -11.45 20 1 -1 21 2 -1 3 7 3 4 10 1 16 5 -1 17 6 -1 7 8 1 8 9 2 9 11 1 18 10 -2 19 11 -2 12 16 1 12 20 1 13 17 1 13 21 1 14 18 1 14 20 1 15 19 1 15 21 1 16 18 1 17 19 1 20 21 1', 'C15H20Br2O2', 391.983, 'B', 'ttl89_1757_1', 4769, '', '', '1', 55, NULL, NULL),
(19044, 'feigrisolide A', '', 'Miscellanea', '', '', '[CH3:9][C@H:8](O)[CH2:7][C@@H:6]1[CH2:5][CH2:4][C@H:3](O)[C@@H:2]([CH3:2001])[C:1](=O)O1', 'C[C@H](O)C[C@@H]1CC[C@H](O)[C@@H](C)C(=O)O1', '[CH3:24][C@H:64](O)[CH2:45][C@@H:76]1[CH2:30][CH2:29][C@H:70](O)[C@@H:50]([CH3:13])[C:175](=O)O1', '14 14 C:9 21.33 -12.15 C:2001 13.71 -10.30 O 16.07 -9.17 O 19.57 -10.50 O 13.13 -12.86 C:5 16.77 -13.63 C:4 15.37 -13.63 C:7 19.01 -12.86 O 17.33 -11.17 C:1 16.07 -10.57 C:8 19.97 -11.84 C:2 14.80 -11.17 C:6 17.64 -12.54 C:3 14.49 -12.54 1 11 1 12 2 -1 3 10 2 11 4 -1 14 5 -2 6 7 1 6 13 1 7 14 1 8 11 1 8 13 1 9 10 1 13 9 -2 10 12 1 12 14 1', '14 14 C 21.33 -12.15 C 13.71 -10.30 O 16.07 -9.17 O 19.57 -10.50 O 13.13 -12.86 C 16.77 -13.63 C 15.37 -13.63 C 19.01 -12.86 O 17.33 -11.17 C 16.07 -10.57 C 19.97 -11.84 C 14.80 -11.17 C 17.64 -12.54 C 14.49 -12.54 1 11 1 12 2 -1 3 10 2 11 4 -1 14 5 -2 6 7 1 6 13 1 7 14 1 8 11 1 8 13 1 9 10 1 13 9 -2 10 12 1 12 14 1', '14 14 C:24 21.33 -12.15 C:13 13.71 -10.30 O 16.07 -9.17 O 19.57 -10.50 O 13.13 -12.86 C:30 16.77 -13.63 C:29 15.37 -13.63 C:45 19.01 -12.86 O 17.33 -11.17 C:175 16.07 -10.57 C:64 19.97 -11.84 C:50 14.80 -11.17 C:76 17.64 -12.54 C:70 14.49 -12.54 1 11 1 12 2 -1 3 10 2 11 4 -1 14 5 -2 6 7 1 6 13 1 7 14 1 8 11 1 8 13 1 9 10 1 13 9 -2 10 12 1 12 14 1', 'C10H18O4', 202.105, 'C', 'jo06_5766_1', 4770, '', '', '1', 55, NULL, NULL),
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(19062, 'Combretastatin A-5', '', 'Aromatics', 'Stilbenes', 'Stilbenes', '[CH3:104001]O[c:104]2[cH:105][cH:106][c:101]([CH:92]=[CH:91][c:1]1[cH:2][c:3](O)[c:4](O[CH3:4001])[c:5](O[CH3:5001])[cH:6]1)[cH:102][c:103]2O[CH3:103001]', 'COc2ccc(C=Cc1cc(O)c(OC)c(OC)c1)cc2OC', '[CH3:56]O[c:148]2[cH:111][cH:122][c:134]([CH:129]=[CH:130][c:134]1[cH:109][c:149](O)[c:135](O[CH3:61])[c:152](O[CH3:56])[cH:105]1)[cH:112][c:148]2O[CH3:56]', '23 24 C:104001 18.42 -15.64 C:103001 22.06 -14.97 C:5001 13.63 -7.25 C:4001 12.41 -10.74 O 16.06 -12.86 C:92 19.65 -9.35 C:91 18.42 -8.65 C:106 18.42 -11.44 C:105 18.42 -12.85 C:2 17.26 -10.75 C:102 20.87 -11.46 C:6 16.06 -8.65 O 19.64 -14.95 O 22.06 -13.57 O 13.63 -8.65 O 13.63 -11.44 C:101 19.65 -10.75 C:1 17.26 -9.35 C:3 16.06 -11.45 C:104 19.65 -13.56 C:103 20.87 -12.87 C:5 14.85 -9.35 C:4 14.85 -10.75 1 13 1 2 14 1 3 15 1 4 16 1 5 19 1 6 7 2 6 17 1 7 18 1 8 9 1 8 17 2 9 20 2 10 18 1 10 19 2 11 17 1 11 21 2 12 18 2 12 22 1 13 20 1 14 21 1 15 22 1 16 23 1 19 23 1 20 21 1 22 23 2', '23 24 C 18.42 -15.64 C 22.06 -14.97 C 13.63 -7.25 C 12.41 -10.74 O 16.06 -12.86 C 19.65 -9.35 C 18.42 -8.65 C 18.42 -11.44 C 18.42 -12.85 C 17.26 -10.75 C 20.87 -11.46 C 16.06 -8.65 O 19.64 -14.95 O 22.06 -13.57 O 13.63 -8.65 O 13.63 -11.44 C 19.65 -10.75 C 17.26 -9.35 C 16.06 -11.45 C 19.65 -13.56 C 20.87 -12.87 C 14.85 -9.35 C 14.85 -10.75 1 13 1 2 14 1 3 15 1 4 16 1 5 19 1 6 7 2 6 17 1 7 18 1 8 9 1 8 17 2 9 20 2 10 18 1 10 19 2 11 17 1 11 21 2 12 18 2 12 22 1 13 20 1 14 21 1 15 22 1 16 23 1 19 23 1 20 21 1 22 23 2', '23 24 C:56 18.42 -15.64 C:56 22.06 -14.97 C:56 13.63 -7.25 C:61 12.41 -10.74 O 16.06 -12.86 C:129 19.65 -9.35 C:130 18.42 -8.65 C:122 18.42 -11.44 C:111 18.42 -12.85 C:109 17.26 -10.75 C:112 20.87 -11.46 C:105 16.06 -8.65 O 19.64 -14.95 O 22.06 -13.57 O 13.63 -8.65 O 13.63 -11.44 C:134 19.65 -10.75 C:134 17.26 -9.35 C:149 16.06 -11.45 C:148 19.65 -13.56 C:148 20.87 -12.87 C:152 14.85 -9.35 C:135 14.85 -10.75 1 13 1 2 14 1 3 15 1 4 16 1 5 19 1 6 7 2 6 17 1 7 18 1 8 9 1 8 17 2 9 20 2 10 18 1 10 19 2 11 17 1 11 21 2 12 18 2 12 22 1 13 20 1 14 21 1 15 22 1 16 23 1 19 23 1 20 21 1 22 23 2', 'C18H20O5', 316.19, 'C', 'jmc95_1666_2c', 4778, '', '', '1', 47, NULL, NULL),
(19063, 'Combretastatin A-6', '', 'Aromatics', 'Stilbenes', 'Stilbenes', '[CH3:104001]O[c:104]2[cH:105][cH:106][c:101]([CH:92]=[CH:91][c:1]1[cH:2][c:3](O)[c:4](O[CH3:4001])[c:5](O[CH3:5001])[cH:6]1)[cH:102][c:103]2O[CH3:103001]', 'COc2ccc(C=Cc1cc(O)c(OC)c(OC)c1)cc2OC', '[CH3:56]O[c:149]2[cH:111][cH:120][c:130]([CH:127]=[CH:128][c:134]1[cH:106][c:149](O)[c:135](O[CH3:61])[c:152](O[CH3:56])[cH:102]1)[cH:109][c:149]2O[CH3:56]', '23 24 C:104001 23.90 -10.00 C:103001 21.48 -7.21 C:5001 11.77 -10.00 C:4001 10.56 -13.49 O 14.22 -15.59 C:92 17.83 -12.10 C:91 16.63 -11.40 C:106 20.26 -12.10 C:105 21.48 -11.40 C:2 15.42 -13.49 C:102 19.05 -10.00 C:6 14.22 -11.40 O 22.69 -9.31 O 20.26 -7.91 O 11.77 -11.40 O 11.77 -14.20 C:101 19.05 -11.40 C:1 15.42 -12.10 C:3 14.22 -14.20 C:104 21.48 -10.00 C:103 20.26 -9.31 C:5 13.01 -12.10 C:4 13.01 -13.49 1 13 1 2 14 1 3 15 1 4 16 1 5 19 1 6 7 2 6 17 1 7 18 1 8 9 1 8 17 2 9 20 2 10 18 1 10 19 2 11 17 1 11 21 2 12 18 2 12 22 1 13 20 1 14 21 1 15 22 1 16 23 1 19 23 1 20 21 1 22 23 2', '23 24 C 23.90 -10.00 C 21.48 -7.21 C 11.77 -10.00 C 10.56 -13.49 O 14.22 -15.59 C 17.83 -12.10 C 16.63 -11.40 C 20.26 -12.10 C 21.48 -11.40 C 15.42 -13.49 C 19.05 -10.00 C 14.22 -11.40 O 22.69 -9.31 O 20.26 -7.91 O 11.77 -11.40 O 11.77 -14.20 C 19.05 -11.40 C 15.42 -12.10 C 14.22 -14.20 C 21.48 -10.00 C 20.26 -9.31 C 13.01 -12.10 C 13.01 -13.49 1 13 1 2 14 1 3 15 1 4 16 1 5 19 1 6 7 2 6 17 1 7 18 1 8 9 1 8 17 2 9 20 2 10 18 1 10 19 2 11 17 1 11 21 2 12 18 2 12 22 1 13 20 1 14 21 1 15 22 1 16 23 1 19 23 1 20 21 1 22 23 2', '23 24 C:56 23.90 -10.00 C:56 21.48 -7.21 C:56 11.77 -10.00 C:61 10.56 -13.49 O 14.22 -15.59 C:127 17.83 -12.10 C:128 16.63 -11.40 C:120 20.26 -12.10 C:111 21.48 -11.40 C:106 15.42 -13.49 C:109 19.05 -10.00 C:102 14.22 -11.40 O 22.69 -9.31 O 20.26 -7.91 O 11.77 -11.40 O 11.77 -14.20 C:130 19.05 -11.40 C:134 15.42 -12.10 C:149 14.22 -14.20 C:149 21.48 -10.00 C:149 20.26 -9.31 C:152 13.01 -12.10 C:135 13.01 -13.49 1 13 1 2 14 1 3 15 1 4 16 1 5 19 1 6 7 2 6 17 1 7 18 1 8 9 1 8 17 2 9 20 2 10 18 1 10 19 2 11 17 1 11 21 2 12 18 2 12 22 1 13 20 1 14 21 1 15 22 1 16 23 1 19 23 1 20 21 1 22 23 2', 'C18H20O5', 316.19, 'C+C', 'jmc95_1666_3a', 4778, '', '', '1', 47, NULL, NULL),
(19064, 'Combretastatin C-1', '', 'Aromatics', 'Phenanthrenes', '', '[CH3:3001]O[c:3]3[cH:4][c:4001]2[c:10001]([cH:10][cH:9][c:8001]1[c:8](=O)[c:7](O[CH3:7001])[c:6](O[CH3:6001])[c:5](=O)[c:4002]12)[cH:1][c:2]3O', 'COc3cc2c(ccc1c(=O)c(OC)c(OC)c(=O)c12)cc3O', '[CH3:56]O[c:151]3[cH:106][c:126]2[c:134]([cH:121][cH:133][c:130]1[c:185](=O)[c:145](O[CH3:61])[c:145](O[CH3:61])[c:183](=O)[c:124]12)[cH:110][c:148]3O', '23 25 C:3001 20.90 -7.22 C:7001 12.42 -13.54 C:6001 13.63 -10.04 O 16.03 -15.62 O 16.03 -10.04 O 22.12 -9.34 C:10 19.68 -13.54 C:9 18.47 -14.24 C:1 20.90 -11.43 C:4 18.47 -10.04 O 19.68 -7.91 O 13.63 -14.24 O 13.63 -11.43 C:2 20.90 -10.04 C:3 19.68 -9.31 C:7 14.83 -13.54 C:6 14.83 -12.13 C:8 16.03 -14.24 C:5 16.03 -11.43 C:10001 19.68 -12.13 C:8001 17.26 -13.54 C:4001 18.47 -11.43 C:4002 17.26 -12.13 1 11 1 2 12 1 3 13 1 4 18 2 5 19 2 6 14 1 7 8 2 7 20 1 8 21 1 9 14 2 9 20 1 10 15 2 10 22 1 11 15 1 12 16 1 13 17 1 14 15 1 16 17 2 16 18 1 17 19 1 18 21 1 19 23 1 20 22 2 21 23 2 22 23 1', '23 25 C 20.90 -7.22 C 12.42 -13.54 C 13.63 -10.04 O 16.03 -15.62 O 16.03 -10.04 O 22.12 -9.34 C 19.68 -13.54 C 18.47 -14.24 C 20.90 -11.43 C 18.47 -10.04 O 19.68 -7.91 O 13.63 -14.24 O 13.63 -11.43 C 20.90 -10.04 C 19.68 -9.31 C 14.83 -13.54 C 14.83 -12.13 C 16.03 -14.24 C 16.03 -11.43 C 19.68 -12.13 C 17.26 -13.54 C 18.47 -11.43 C 17.26 -12.13 1 11 1 2 12 1 3 13 1 4 18 2 5 19 2 6 14 1 7 8 2 7 20 1 8 21 1 9 14 2 9 20 1 10 15 2 10 22 1 11 15 1 12 16 1 13 17 1 14 15 1 16 17 2 16 18 1 17 19 1 18 21 1 19 23 1 20 22 2 21 23 2 22 23 1', '23 25 C:56 20.90 -7.22 C:61 12.42 -13.54 C:61 13.63 -10.04 O 16.03 -15.62 O 16.03 -10.04 O 22.12 -9.34 C:121 19.68 -13.54 C:133 18.47 -14.24 C:110 20.90 -11.43 C:106 18.47 -10.04 O 19.68 -7.91 O 13.63 -14.24 O 13.63 -11.43 C:148 20.90 -10.04 C:151 19.68 -9.31 C:145 14.83 -13.54 C:145 14.83 -12.13 C:185 16.03 -14.24 C:183 16.03 -11.43 C:134 19.68 -12.13 C:130 17.26 -13.54 C:126 18.47 -11.43 C:124 17.26 -12.13 1 11 1 2 12 1 3 13 1 4 18 2 5 19 2 6 14 1 7 8 2 7 20 1 8 21 1 9 14 2 9 20 1 10 15 2 10 22 1 11 15 1 12 16 1 13 17 1 14 15 1 16 17 2 16 18 1 17 19 1 18 21 1 19 23 1 20 22 2 21 23 2 22 23 1', 'C17H14O6', 314.178, 'C', 'joc89_4105_2', 4779, '', '', '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
(19065, 'Combretastatin C-1-leucotriacetate', '', 'Aromatics', 'Phenanthrenes', '', '[CH3:3001]O[c:3]3[cH:4][c:4001]2[c:10001]([cH:10][cH:9][c:8001]1[c:8](O[C:8002]([CH3:8003])=O)[c:7](O[CH3:7001])[c:6](O[CH3:6001])[c:5](O[C:5001]([CH3:5002])=O)[c:4002]12)[cH:1][c:2]3O[C:2001]([CH3:2002])=O', 'COc3cc2c(ccc1c(OC(C)=O)c(OC)c(OC)c(OC(C)=O)c12)cc3OC(C)=O', '[CH3:56]O[c:150]3[cH:109][c:128]2[c:128]([cH:122][cH:127][c:124]1[c:140](O[C:168]([CH3:21])=O)[c:145](O[CH3:61])[c:144](O[CH3:61])[c:138](O[C:169]([CH3:21])=O)[c:120]12)[cH:118][c:140]3O[C:169]([CH3:21])=O', '32 34 C:3001 19.68 -6.21 C:7001 12.39 -14.63 C:6001 11.19 -11.12 C:2002 23.33 -8.34 C:8003 16.04 -16.68 C:5002 13.63 -6.94 O 22.13 -10.42 O 17.21 -14.57 O 12.39 -9.04 C:10 18.45 -12.53 C:9 17.21 -13.23 C:1 19.68 -10.42 C:4 17.21 -9.04 O 18.45 -6.90 O 12.39 -13.23 O 12.39 -10.42 O 20.90 -8.34 O 14.80 -14.61 O 14.80 -9.04 C:2001 22.13 -9.04 C:8002 16.04 -15.29 C:5001 13.60 -8.34 C:3 18.45 -8.30 C:2 19.68 -9.04 C:7 13.60 -12.53 C:6 13.60 -11.12 C:8 14.80 -13.23 C:5 14.80 -10.42 C:10001 18.45 -11.12 C:8001 16.04 -12.53 C:4001 17.21 -10.42 C:4002 16.04 -11.12 1 14 1 2 15 1 3 16 1 4 20 1 5 21 1 6 22 1 7 20 2 8 21 2 9 22 2 10 11 2 10 29 1 11 30 1 12 24 2 12 29 1 13 23 2 13 31 1 14 23 1 15 25 1 16 26 1 17 20 1 17 24 1 18 21 1 18 27 1 19 22 1 19 28 1 23 24 1 25 26 1 25 27 2 26 28 2 27 30 1 28 32 1 29 31 2 30 32 2 31 32 1', '32 34 C 19.68 -6.21 C 12.39 -14.63 C 11.19 -11.12 C 23.33 -8.34 C 16.04 -16.68 C 13.63 -6.94 O 22.13 -10.42 O 17.21 -14.57 O 12.39 -9.04 C 18.45 -12.53 C 17.21 -13.23 C 19.68 -10.42 C 17.21 -9.04 O 18.45 -6.90 O 12.39 -13.23 O 12.39 -10.42 O 20.90 -8.34 O 14.80 -14.61 O 14.80 -9.04 C 22.13 -9.04 C 16.04 -15.29 C 13.60 -8.34 C 18.45 -8.30 C 19.68 -9.04 C 13.60 -12.53 C 13.60 -11.12 C 14.80 -13.23 C 14.80 -10.42 C 18.45 -11.12 C 16.04 -12.53 C 17.21 -10.42 C 16.04 -11.12 1 14 1 2 15 1 3 16 1 4 20 1 5 21 1 6 22 1 7 20 2 8 21 2 9 22 2 10 11 2 10 29 1 11 30 1 12 24 2 12 29 1 13 23 2 13 31 1 14 23 1 15 25 1 16 26 1 17 20 1 17 24 1 18 21 1 18 27 1 19 22 1 19 28 1 23 24 1 25 26 1 25 27 2 26 28 2 27 30 1 28 32 1 29 31 2 30 32 2 31 32 1', '32 34 C:56 19.68 -6.21 C:61 12.39 -14.63 C:61 11.19 -11.12 C:21 23.33 -8.34 C:21 16.04 -16.68 C:21 13.63 -6.94 O 22.13 -10.42 O 17.21 -14.57 O 12.39 -9.04 C:122 18.45 -12.53 C:127 17.21 -13.23 C:118 19.68 -10.42 C:109 17.21 -9.04 O 18.45 -6.90 O 12.39 -13.23 O 12.39 -10.42 O 20.90 -8.34 O 14.80 -14.61 O 14.80 -9.04 C:169 22.13 -9.04 C:168 16.04 -15.29 C:169 13.60 -8.34 C:150 18.45 -8.30 C:140 19.68 -9.04 C:145 13.60 -12.53 C:144 13.60 -11.12 C:140 14.80 -13.23 C:138 14.80 -10.42 C:128 18.45 -11.12 C:124 16.04 -12.53 C:128 17.21 -10.42 C:120 16.04 -11.12 1 14 1 2 15 1 3 16 1 4 20 1 5 21 1 6 22 1 7 20 2 8 21 2 9 22 2 10 11 2 10 29 1 11 30 1 12 24 2 12 29 1 13 23 2 13 31 1 14 23 1 15 25 1 16 26 1 17 20 1 17 24 1 18 21 1 18 27 1 19 22 1 19 28 1 23 24 1 25 26 1 25 27 2 26 28 2 27 30 1 28 32 1 29 31 2 30 32 2 31 32 1', 'C23H22O9', 442.241, 'C', 'joc89_4105_3', 4779, '', '', '1', 47, NULL, NULL),
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(19067, 'Combretastatin D-1', '', 'Aromatics', 'Biphenyl-ethers', 'Macrolactone-Diphenyl-ethers', 'O=[C:17]4[CH2:16][CH2:15][c:14]1[cH:13][cH:12][c:11](O)[c:10]([cH:20]1)O[c:8]2[cH:7][cH:6][c:5]([cH:18][cH:19]2)[C@@H:4]3O[C@@H:3]3[CH2:2]O4', 'O=C4CCc1ccc(O)c(c1)Oc2ccc(cc2)[C@@H]3O[C@@H]3CO4', 'O=[C:173]4[CH2:31][CH2:27][c:132]1[cH:122][cH:115][c:143](O)[c:149]([cH:112]1)O[c:156]2[cH:124][cH:129][c:132]([cH:126][cH:123]2)[C@@H:56]3O[C@@H:53]3[CH2:63]O4', '23 26 O 17.72 -12.14 O 12.90 -12.14 C:13 15.34 -14.92 C:12 14.12 -14.25 C:7 16.52 -8.68 C:19 17.72 -10.76 C:6 17.72 -7.96 C:18 18.92 -10.06 C:20 16.52 -12.84 C:16 18.92 -14.25 C:15 17.72 -14.92 C:2 20.24 -10.50 O 20.24 -11.89 O 15.34 -10.76 O 21.63 -8.08 C:17 18.92 -12.84 C:14 16.52 -14.25 C:11 14.12 -12.84 C:8 16.52 -10.06 C:5 18.92 -8.68 C:10 15.34 -12.14 C:3 21.07 -9.36 C:4 20.24 -8.24 1 16 2 2 18 1 3 4 1 3 17 2 4 18 2 5 7 2 5 19 1 6 8 1 6 19 2 7 20 1 8 20 2 9 17 1 9 21 2 10 11 1 10 16 1 11 17 1 12 13 1 12 22 1 13 16 1 14 19 1 14 21 1 22 15 -2 23 15 -2 18 21 1 20 23 1 22 23 1', '23 26 O 17.72 -12.14 O 12.90 -12.14 C 15.34 -14.92 C 14.12 -14.25 C 16.52 -8.68 C 17.72 -10.76 C 17.72 -7.96 C 18.92 -10.06 C 16.52 -12.84 C 18.92 -14.25 C 17.72 -14.92 C 20.24 -10.50 O 20.24 -11.89 O 15.34 -10.76 O 21.63 -8.08 C 18.92 -12.84 C 16.52 -14.25 C 14.12 -12.84 C 16.52 -10.06 C 18.92 -8.68 C 15.34 -12.14 C 21.07 -9.36 C 20.24 -8.24 1 16 2 2 18 1 3 4 1 3 17 2 4 18 2 5 7 2 5 19 1 6 8 1 6 19 2 7 20 1 8 20 2 9 17 1 9 21 2 10 11 1 10 16 1 11 17 1 12 13 1 12 22 1 13 16 1 14 19 1 14 21 1 22 15 -2 23 15 -2 18 21 1 20 23 1 22 23 1', '23 26 O 17.72 -12.14 O 12.90 -12.14 C:122 15.34 -14.92 C:115 14.12 -14.25 C:124 16.52 -8.68 C:123 17.72 -10.76 C:129 17.72 -7.96 C:126 18.92 -10.06 C:112 16.52 -12.84 C:31 18.92 -14.25 C:27 17.72 -14.92 C:63 20.24 -10.50 O 20.24 -11.89 O 15.34 -10.76 O 21.63 -8.08 C:173 18.92 -12.84 C:132 16.52 -14.25 C:143 14.12 -12.84 C:156 16.52 -10.06 C:132 18.92 -8.68 C:149 15.34 -12.14 C:53 21.07 -9.36 C:56 20.24 -8.24 1 16 2 2 18 1 3 4 1 3 17 2 4 18 2 5 7 2 5 19 1 6 8 1 6 19 2 7 20 1 8 20 2 9 17 1 9 21 2 10 11 1 10 16 1 11 17 1 12 13 1 12 22 1 13 16 1 14 19 1 14 21 1 22 15 -2 23 15 -2 18 21 1 20 23 1 22 23 1', 'C18H16O5', 312.19, 'C', 'joc90_2797_1', 4780, '', '', '1', 47, NULL, NULL),
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(19081, 'Wilforone', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:26])[C@:14]2([CH3:27])[CH2:15][CH2:16][C@@:17]1([CH3:28])[CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[CH2:19][C:18]1=[C:13]2[CH2:12][C@@H:11](O)[C@:9]3([H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C:3](=O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45CC[C@@]3(C)[C@]2(C)CC[C@@]1(C)CC[C@@](C)(C)CC1=C2C[C@@H](O)[C@]3([H])[C@@]4(C)CCC(=O)[C@@]5(C)C', '[H][C@@:55]45[CH2:20][CH2:35][C@@:42]3([CH3:19])[C@:44]2([CH3:21])[CH2:26][CH2:39][C@@:35]1([CH3:24])[CH2:37][CH2:35][C@@:33]([CH3:24])([CH3:32])[CH2:39][C:135]1=[C:132]2[CH2:37][C@@H:70](O)[C@:55]3([H])[C@@:38]4([CH3:17])[CH2:42][CH2:34][C:219](=O)[C@@:48]5([CH3:21])[CH3:28]', '34 38 H 15.32 -15.31 H 16.61 -13.09 C:30 20.70 -6.67 C:29 22.32 -6.67 C:24 13.33 -16.13 C:23 14.81 -16.18 C:28 21.49 -9.24 C:27 19.07 -13.53 C:25 15.32 -11.38 C:26 17.81 -11.38 O 11.72 -14.98 O 15.39 -9.98 C:2 12.90 -12.80 C:21 22.73 -8.56 C:22 22.73 -9.98 C:16 21.49 -12.08 C:6 16.58 -14.94 C:1 14.10 -12.08 C:15 20.27 -12.80 C:7 17.81 -14.25 C:12 17.81 -9.98 C:19 20.27 -8.56 C:3 12.90 -14.25 C:18 20.27 -9.98 C:13 19.07 -10.68 C:11 16.58 -10.68 C:20 21.49 -7.83 C:4 14.10 -14.94 C:17 21.49 -10.68 C:5 15.32 -14.25 C:14 19.07 -12.08 C:10 15.32 -12.80 C:8 17.81 -12.80 C:9 16.58 -12.08 30 1 -2 34 2 -2 27 3 -1 27 4 -2 28 5 -1 28 6 -2 29 7 -1 31 8 -2 32 9 -1 33 10 -1 11 23 2 26 12 -2 13 18 1 13 23 1 14 15 1 14 27 1 15 29 1 16 19 1 16 29 1 17 20 1 17 30 1 18 32 1 19 31 1 20 33 1 21 25 1 21 26 1 22 24 1 22 27 1 23 28 1 24 25 2 24 29 1 25 31 1 26 34 1 28 30 1 30 32 1 31 33 1 32 34 1 33 34 1', '34 38 H 15.32 -15.31 H 16.61 -13.09 C 20.70 -6.67 C 22.32 -6.67 C 13.33 -16.13 C 14.81 -16.18 C 21.49 -9.24 C 19.07 -13.53 C 15.32 -11.38 C 17.81 -11.38 O 11.72 -14.98 O 15.39 -9.98 C 12.90 -12.80 C 22.73 -8.56 C 22.73 -9.98 C 21.49 -12.08 C 16.58 -14.94 C 14.10 -12.08 C 20.27 -12.80 C 17.81 -14.25 C 17.81 -9.98 C 20.27 -8.56 C 12.90 -14.25 C 20.27 -9.98 C 19.07 -10.68 C 16.58 -10.68 C 21.49 -7.83 C 14.10 -14.94 C 21.49 -10.68 C 15.32 -14.25 C 19.07 -12.08 C 15.32 -12.80 C 17.81 -12.80 C 16.58 -12.08 30 1 -2 34 2 -2 27 3 -1 27 4 -2 28 5 -1 28 6 -2 29 7 -1 31 8 -2 32 9 -1 33 10 -1 11 23 2 26 12 -2 13 18 1 13 23 1 14 15 1 14 27 1 15 29 1 16 19 1 16 29 1 17 20 1 17 30 1 18 32 1 19 31 1 20 33 1 21 25 1 21 26 1 22 24 1 22 27 1 23 28 1 24 25 2 24 29 1 25 31 1 26 34 1 28 30 1 30 32 1 31 33 1 32 34 1 33 34 1', '34 38 H 15.32 -15.31 H 16.61 -13.09 C:24 20.70 -6.67 C:32 22.32 -6.67 C:21 13.33 -16.13 C:28 14.81 -16.18 C:24 21.49 -9.24 C:21 19.07 -13.53 C:17 15.32 -11.38 C:19 17.81 -11.38 O 11.72 -14.98 O 15.39 -9.98 C:34 12.90 -12.80 C:35 22.73 -8.56 C:37 22.73 -9.98 C:39 21.49 -12.08 C:20 16.58 -14.94 C:42 14.10 -12.08 C:26 20.27 -12.80 C:35 17.81 -14.25 C:37 17.81 -9.98 C:39 20.27 -8.56 C:219 12.90 -14.25 C:135 20.27 -9.98 C:132 19.07 -10.68 C:70 16.58 -10.68 C:33 21.49 -7.83 C:48 14.10 -14.94 C:35 21.49 -10.68 C:55 15.32 -14.25 C:44 19.07 -12.08 C:38 15.32 -12.80 C:42 17.81 -12.80 C:55 16.58 -12.08 30 1 -2 34 2 -2 27 3 -1 27 4 -2 28 5 -1 28 6 -2 29 7 -1 31 8 -2 32 9 -1 33 10 -1 11 23 2 26 12 -2 13 18 1 13 23 1 14 15 1 14 27 1 15 29 1 16 19 1 16 29 1 17 20 1 17 30 1 18 32 1 19 31 1 20 33 1 21 25 1 21 26 1 22 24 1 22 27 1 23 28 1 24 25 2 24 29 1 25 31 1 26 34 1 28 30 1 30 32 1 31 33 1 32 34 1 33 34 1', 'C30H48O2', 440.336, '', 'ccl08_453_2', 4785, '', 'no se indica Disovente', '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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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
(19093, '', '3,4,8α-Trimethyl-4α,7,8,8α-tetrahydro-4α-naphto[2,3-β]furan-9-one', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]23[CH2:6][c:7]1[c:11]([CH3:13])[cH:12]o[c:8]1[C:9](=O)[C@@:10]2([CH3:14])[CH2:1][CH2:2][CH:3]=[C:4]3[CH3:15]', '[H][C@@]23Cc1c(C)coc1C(=O)[C@@]2(C)CCC=C3C', '[H][C@@:47]23[CH2:23][c:140]1[c:123]([CH3:8])[cH:147]o[c:148]1[C:194](=O)[C@@:46]2([CH3:16])[CH2:29][CH2:23][CH:123]=[C:134]3[CH3:21]', '18 20 H 16.14 -13.11 C:15 14.91 -14.23 C:13 20.43 -13.85 C:14 16.14 -9.24 O 17.42 -8.60 C:3 13.68 -12.11 C:12 20.83 -11.40 C:2 13.68 -10.67 C:1 14.91 -9.96 C:6 17.42 -12.81 O 19.99 -10.26 C:4 14.91 -12.81 C:9 17.42 -9.96 C:11 19.99 -12.51 C:7 18.67 -12.11 C:8 18.67 -10.67 C:5 16.14 -12.11 C:10 16.14 -10.67 17 1 -2 2 12 1 3 14 1 18 4 -1 5 13 2 6 8 1 6 12 2 7 11 1 7 14 2 8 9 1 9 18 1 10 15 1 10 17 1 11 16 1 12 17 1 13 16 1 13 18 1 14 15 1 15 16 2 17 18 1', '18 20 H 16.14 -13.11 C 14.91 -14.23 C 20.43 -13.85 C 16.14 -9.24 O 17.42 -8.60 C 13.68 -12.11 C 20.83 -11.40 C 13.68 -10.67 C 14.91 -9.96 C 17.42 -12.81 O 19.99 -10.26 C 14.91 -12.81 C 17.42 -9.96 C 19.99 -12.51 C 18.67 -12.11 C 18.67 -10.67 C 16.14 -12.11 C 16.14 -10.67 17 1 -2 2 12 1 3 14 1 18 4 -1 5 13 2 6 8 1 6 12 2 7 11 1 7 14 2 8 9 1 9 18 1 10 15 1 10 17 1 11 16 1 12 17 1 13 16 1 13 18 1 14 15 1 15 16 2 17 18 1', '18 20 H 16.14 -13.11 C:21 14.91 -14.23 C:8 20.43 -13.85 C:16 16.14 -9.24 O 17.42 -8.60 C:123 13.68 -12.11 C:147 20.83 -11.40 C:23 13.68 -10.67 C:29 14.91 -9.96 C:23 17.42 -12.81 O 19.99 -10.26 C:134 14.91 -12.81 C:194 17.42 -9.96 C:123 19.99 -12.51 C:140 18.67 -12.11 C:148 18.67 -10.67 C:47 16.14 -12.11 C:46 16.14 -10.67 17 1 -2 2 12 1 3 14 1 18 4 -1 5 13 2 6 8 1 6 12 2 7 11 1 7 14 2 8 9 1 9 18 1 10 15 1 10 17 1 11 16 1 12 17 1 13 16 1 13 18 1 14 15 1 15 16 2 17 18 1', 'C15H18O2', 230.167, 'M', 'bpb08_1041_CJ-01', 4790, '', '', '1', 47, NULL, NULL),
(19094, 'Gerin', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]12[CH2:6][C@H:7]([C:11](=[CH2:13])[C:12](=O)O[CH3:12001])[C@H:8](O[C:8001]([CH3:8002])=O)[CH2:9][C@@:10]1([CH3:14])[CH:1]=[CH:2][C:3](=O)[C:4]2=[CH2:15]', '[H][C@@]12C[C@H](C(=C)C(=O)OC)[C@H](OC(C)=O)C[C@@]1(C)C=CC(=O)C2=C', '[H][C@@:48]12[CH2:23][C@H:41]([C:140](=[CH2:125])[C:167](=O)O[CH3:52])[C@H:70](O[C:170]([CH3:21])=O)[CH2:40][C@@:37]1([CH3:21])[CH:161]=[CH:126][C:189](=O)[C:145]2=[CH2:118]', '24 25 H 16.63 -12.43 C:13 21.55 -11.42 C:15 15.40 -13.55 C:12001 21.55 -15.65 C:8002 21.55 -7.20 C:14 16.63 -8.57 O 19.13 -7.20 O 12.94 -12.12 O 19.13 -14.25 C:2 14.16 -10.00 C:1 15.40 -9.28 C:6 17.86 -12.12 C:9 17.86 -9.28 O 21.55 -14.25 O 20.34 -9.31 C:8001 20.34 -7.91 C:11 20.34 -12.12 C:3 14.16 -11.42 C:4 15.40 -12.12 C:12 20.34 -13.53 C:8 19.13 -10.00 C:7 19.13 -11.42 C:5 16.63 -11.42 C:10 16.63 -10.00 23 1 -2 2 17 2 3 19 2 4 14 1 5 16 1 24 6 -1 7 16 2 8 18 2 9 20 2 10 11 2 10 18 1 11 24 1 12 22 1 12 23 1 13 21 1 13 24 1 14 20 1 15 16 1 21 15 -1 17 20 1 22 17 -1 18 19 1 19 23 1 21 22 1 23 24 1', '24 25 H 16.63 -12.43 C 21.55 -11.42 C 15.40 -13.55 C 21.55 -15.65 C 21.55 -7.20 C 16.63 -8.57 O 19.13 -7.20 O 12.94 -12.12 O 19.13 -14.25 C 14.16 -10.00 C 15.40 -9.28 C 17.86 -12.12 C 17.86 -9.28 O 21.55 -14.25 O 20.34 -9.31 C 20.34 -7.91 C 20.34 -12.12 C 14.16 -11.42 C 15.40 -12.12 C 20.34 -13.53 C 19.13 -10.00 C 19.13 -11.42 C 16.63 -11.42 C 16.63 -10.00 23 1 -2 2 17 2 3 19 2 4 14 1 5 16 1 24 6 -1 7 16 2 8 18 2 9 20 2 10 11 2 10 18 1 11 24 1 12 22 1 12 23 1 13 21 1 13 24 1 14 20 1 15 16 1 21 15 -1 17 20 1 22 17 -1 18 19 1 19 23 1 21 22 1 23 24 1', '24 25 H 16.63 -12.43 C:125 21.55 -11.42 C:118 15.40 -13.55 C:52 21.55 -15.65 C:21 21.55 -7.20 C:21 16.63 -8.57 O 19.13 -7.20 O 12.94 -12.12 O 19.13 -14.25 C:126 14.16 -10.00 C:161 15.40 -9.28 C:23 17.86 -12.12 C:40 17.86 -9.28 O 21.55 -14.25 O 20.34 -9.31 C:170 20.34 -7.91 C:140 20.34 -12.12 C:189 14.16 -11.42 C:145 15.40 -12.12 C:167 20.34 -13.53 C:70 19.13 -10.00 C:41 19.13 -11.42 C:48 16.63 -11.42 C:37 16.63 -10.00 23 1 -2 2 17 2 3 19 2 4 14 1 5 16 1 24 6 -1 7 16 2 8 18 2 9 20 2 10 11 2 10 18 1 11 24 1 12 22 1 12 23 1 13 21 1 13 24 1 14 20 1 15 16 1 21 15 -1 17 20 1 22 17 -1 18 19 1 19 23 1 21 22 1 23 24 1', 'C18H22O5', 318.198, 'C', 'cb08_279_1', 4791, '', '', '1', 47, NULL, NULL),
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(19109, '4-Epi-isoinuviscolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]23[CH:9]=[C:10]([CH3:14])[C@:1]1([H])[CH2:2][CH2:3][C@:4]([CH3:15])(O)[C@:5]1([H])[CH2:6][C@:7]2([H])[C:11](=[CH2:13])[C:12](=O)O3', '[H][C@]23C=C(C)[C@]1([H])CC[C@](C)(O)[C@]1([H])C[C@]2([H])C(=C)C(=O)O3', '[H][C@:84]23[CH:127]=[C:143]([CH3:22])[C@:47]1([H])[CH2:26][CH2:42][C@:81]([CH3:26])(O)[C@:53]1([H])[CH2:32][C@:48]2([H])[C:142](=[CH2:120])[C:172](=O)O3', '22 24 H 19.87 -10.58 H 16.34 -8.78 H 17.82 -13.34 H 15.55 -12.38 C:13 18.52 -15.07 C:14 17.46 -7.79 C:15 13.94 -12.87 O 21.57 -14.19 O 12.93 -11.91 C:9 18.81 -9.92 C:2 14.89 -9.08 C:3 13.74 -9.99 C:6 16.72 -12.52 O 20.42 -11.88 C:10 17.46 -9.27 C:11 19.03 -13.71 C:12 20.42 -13.34 C:8 19.14 -11.36 C:1 16.14 -9.92 C:7 18.21 -12.52 C:4 14.23 -11.38 C:5 15.81 -11.36 18 1 -1 19 2 -2 20 3 -2 22 4 -2 5 16 2 6 15 1 21 7 -2 8 17 2 21 9 -1 10 15 2 10 18 1 11 12 1 11 19 1 12 21 1 13 20 1 13 22 1 14 17 1 14 18 1 15 19 1 16 17 1 16 20 1 18 20 1 19 22 1 21 22 1', '22 24 H 19.87 -10.58 H 16.34 -8.78 H 17.82 -13.34 H 15.55 -12.38 C 18.52 -15.07 C 17.46 -7.79 C 13.94 -12.87 O 21.57 -14.19 O 12.93 -11.91 C 18.81 -9.92 C 14.89 -9.08 C 13.74 -9.99 C 16.72 -12.52 O 20.42 -11.88 C 17.46 -9.27 C 19.03 -13.71 C 20.42 -13.34 C 19.14 -11.36 C 16.14 -9.92 C 18.21 -12.52 C 14.23 -11.38 C 15.81 -11.36 18 1 -1 19 2 -2 20 3 -2 22 4 -2 5 16 2 6 15 1 21 7 -2 8 17 2 21 9 -1 10 15 2 10 18 1 11 12 1 11 19 1 12 21 1 13 20 1 13 22 1 14 17 1 14 18 1 15 19 1 16 17 1 16 20 1 18 20 1 19 22 1 21 22 1', '22 24 H 19.87 -10.58 H 16.34 -8.78 H 17.82 -13.34 H 15.55 -12.38 C:120 18.52 -15.07 C:22 17.46 -7.79 C:26 13.94 -12.87 O 21.57 -14.19 O 12.93 -11.91 C:127 18.81 -9.92 C:26 14.89 -9.08 C:42 13.74 -9.99 C:32 16.72 -12.52 O 20.42 -11.88 C:143 17.46 -9.27 C:142 19.03 -13.71 C:172 20.42 -13.34 C:84 19.14 -11.36 C:47 16.14 -9.92 C:48 18.21 -12.52 C:81 14.23 -11.38 C:53 15.81 -11.36 18 1 -1 19 2 -2 20 3 -2 22 4 -2 5 16 2 6 15 1 21 7 -2 8 17 2 21 9 -1 10 15 2 10 18 1 11 12 1 11 19 1 12 21 1 13 20 1 13 22 1 14 17 1 14 18 1 15 19 1 16 17 1 16 20 1 18 20 1 19 22 1 21 22 1', 'C15H20O3', 248.19, 'C', 'cpb08_1535_9', 4793, '', 'he intercambiado C14 con c15', '1', 47, NULL, NULL),
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(19112, '', '(4R*,5R*,7S*,10R*)-4-Formamidoeudesman-11-ol', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]12[CH2:6][C@@H:7]([C:11]([CH3:13])([CH3:12])O)[CH2:8][CH2:9][C@@:10]1([CH3:14])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:15])N[CH:4001]=O', '[H][C@@]12C[C@@H](C(C)(C)O)CC[C@@]1(C)CCC[C@@]2(C)NC=O', '[H][C@@:56]12[CH2:26][C@@H:44]([C:62]([CH3:21])([CH3:27])O)[CH2:20][CH2:40][C@@:34]1([CH3:18])[CH2:44][CH2:21][CH2:41][C@@:65]2([CH3:25])N[CH:160]=O', '20 21 H 16.37 -11.85 C:13 21.27 -10.85 C:12 20.06 -12.95 C:14 16.37 -7.99 C:15 15.96 -12.77 O 13.24 -14.87 O 21.27 -12.24 C:4001 14.46 -14.17 C:2 13.89 -9.42 C:8 18.83 -9.42 C:1 15.14 -8.70 C:3 13.89 -10.85 C:9 17.60 -8.70 C:6 17.60 -11.55 N 14.46 -12.77 C:7 18.83 -10.85 C:11 20.06 -11.55 C:10 16.37 -9.42 C:5 16.37 -10.85 C:4 15.14 -11.55 19 1 -2 2 17 1 3 17 1 18 4 -1 20 5 -1 6 8 2 7 17 1 8 15 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 18 1 14 16 1 14 19 1 20 15 -2 16 17 -2 18 19 1 19 20 1', '20 21 H 16.37 -11.85 C 21.27 -10.85 C 20.06 -12.95 C 16.37 -7.99 C 15.96 -12.77 O 13.24 -14.87 O 21.27 -12.24 C 14.46 -14.17 C 13.89 -9.42 C 18.83 -9.42 C 15.14 -8.70 C 13.89 -10.85 C 17.60 -8.70 C 17.60 -11.55 N 14.46 -12.77 C 18.83 -10.85 C 20.06 -11.55 C 16.37 -9.42 C 16.37 -10.85 C 15.14 -11.55 19 1 -2 2 17 1 3 17 1 18 4 -1 20 5 -1 6 8 2 7 17 1 8 15 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 18 1 14 16 1 14 19 1 20 15 -2 16 17 -2 18 19 1 19 20 1', '20 21 H 16.37 -11.85 C:21 21.27 -10.85 C:27 20.06 -12.95 C:18 16.37 -7.99 C:25 15.96 -12.77 O 13.24 -14.87 O 21.27 -12.24 C:160 14.46 -14.17 C:21 13.89 -9.42 C:20 18.83 -9.42 C:44 15.14 -8.70 C:41 13.89 -10.85 C:40 17.60 -8.70 C:26 17.60 -11.55 N 14.46 -12.77 C:44 18.83 -10.85 C:62 20.06 -11.55 C:34 16.37 -9.42 C:56 16.37 -10.85 C:65 15.14 -11.55 19 1 -2 2 17 1 3 17 1 18 4 -1 20 5 -1 6 8 2 7 17 1 8 15 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 18 1 14 16 1 14 19 1 20 15 -2 16 17 -2 18 19 1 19 20 1', 'C16H29NO2', 267.185, 'C', 'hca08_426_2', 4794, '', '', '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
(19113, '', '(4R*,5R*,7S*,10R*)-4-Formamidoeudesman-11-ol', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]12[CH2:6][C@@H:7]([C:11]([CH3:12])([CH3:13])O)[CH2:8][CH2:9][C@@:10]1([CH3:14])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:15])N[CH:4001]=O', '[H][C@@]12C[C@@H](C(C)(C)O)CC[C@@]1(C)CCC[C@@]2(C)NC=O', '[H][C@@:56]12[CH2:27][C@@H:43]([C:63]([CH3:32])([CH3:19])O)[CH2:20][CH2:40][C@@:34]1([CH3:19])[CH2:44][CH2:21][CH2:41][C@@:63]2([CH3:26])N[CH:161]=O', '20 21 H 16.04 -11.85 C:12 19.73 -12.95 C:13 20.94 -10.85 C:14 16.04 -7.99 C:15 15.63 -12.77 O 15.35 -14.87 O 20.94 -12.24 C:4001 14.13 -14.17 C:2 13.56 -9.42 C:8 18.50 -9.42 C:1 14.81 -8.70 C:3 13.56 -10.85 C:9 17.27 -8.70 C:6 17.27 -11.55 N 14.13 -12.77 C:7 18.50 -10.85 C:11 19.73 -11.55 C:10 16.04 -9.42 C:5 16.04 -10.85 C:4 14.81 -11.55 19 1 -2 2 17 1 3 17 1 18 4 -1 20 5 -1 6 8 2 7 17 1 8 15 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 18 1 14 16 1 14 19 1 20 15 -2 16 17 -2 18 19 1 19 20 1', '20 21 H 16.04 -11.85 C 19.73 -12.95 C 20.94 -10.85 C 16.04 -7.99 C 15.63 -12.77 O 15.35 -14.87 O 20.94 -12.24 C 14.13 -14.17 C 13.56 -9.42 C 18.50 -9.42 C 14.81 -8.70 C 13.56 -10.85 C 17.27 -8.70 C 17.27 -11.55 N 14.13 -12.77 C 18.50 -10.85 C 19.73 -11.55 C 16.04 -9.42 C 16.04 -10.85 C 14.81 -11.55 19 1 -2 2 17 1 3 17 1 18 4 -1 20 5 -1 6 8 2 7 17 1 8 15 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 18 1 14 16 1 14 19 1 20 15 -2 16 17 -2 18 19 1 19 20 1', '20 21 H 16.04 -11.85 C:32 19.73 -12.95 C:19 20.94 -10.85 C:19 16.04 -7.99 C:26 15.63 -12.77 O 15.35 -14.87 O 20.94 -12.24 C:161 14.13 -14.17 C:21 13.56 -9.42 C:20 18.50 -9.42 C:44 14.81 -8.70 C:41 13.56 -10.85 C:40 17.27 -8.70 C:27 17.27 -11.55 N 14.13 -12.77 C:43 18.50 -10.85 C:63 19.73 -11.55 C:34 16.04 -9.42 C:56 16.04 -10.85 C:63 14.81 -11.55 19 1 -2 2 17 1 3 17 1 18 4 -1 20 5 -1 6 8 2 7 17 1 8 15 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 18 1 14 16 1 14 19 1 20 15 -2 16 17 -2 18 19 1 19 20 1', 'C16H29NO2', 267.185, 'C+C', 'hca08_426_2', 4794, '', '', '1', 47, NULL, NULL),
(19114, '', '4α-Formamidogorgon-11-ene', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]12[C@@H:6]([C:11](=[CH2:12])[CH3:13])[CH2:7][CH2:8][CH2:9][C@@:10]1([CH3:14])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:15])N[CH:4001]=O', '[H][C@@]12[C@@H](C(=C)C)CCC[C@@]1(C)CCC[C@@]2(C)NC=O', '[H][C@@:56]12[C@@H:45]([C:150](=[CH2:111])[CH3:19])[CH2:34][CH2:21][CH2:45][C@@:45]1([CH3:21])[CH2:42][CH2:19][CH2:43][C@@:57]2([CH3:20])N[CH:162]=O', '19 20 H 17.31 -11.70 C:12 19.73 -13.50 C:13 17.31 -13.50 C:14 17.31 -7.83 C:15 16.88 -12.62 O 15.41 -15.04 C:4001 16.09 -13.82 C:8 19.73 -9.26 C:2 14.80 -9.26 C:7 19.73 -10.70 C:9 18.52 -8.54 C:1 16.05 -8.54 C:3 14.80 -10.70 N 15.37 -12.62 C:11 18.52 -12.80 C:6 18.52 -11.40 C:10 17.31 -9.26 C:4 16.05 -11.40 C:5 17.31 -10.70 19 1 -2 2 15 2 3 15 1 17 4 -1 18 5 -1 6 7 2 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 16 1 11 17 1 12 17 1 13 18 1 18 14 -2 16 15 -2 16 19 1 17 19 1 18 19 1', '19 20 H 17.31 -11.70 C 19.73 -13.50 C 17.31 -13.50 C 17.31 -7.83 C 16.88 -12.62 O 15.41 -15.04 C 16.09 -13.82 C 19.73 -9.26 C 14.80 -9.26 C 19.73 -10.70 C 18.52 -8.54 C 16.05 -8.54 C 14.80 -10.70 N 15.37 -12.62 C 18.52 -12.80 C 18.52 -11.40 C 17.31 -9.26 C 16.05 -11.40 C 17.31 -10.70 19 1 -2 2 15 2 3 15 1 17 4 -1 18 5 -1 6 7 2 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 16 1 11 17 1 12 17 1 13 18 1 18 14 -2 16 15 -2 16 19 1 17 19 1 18 19 1', '19 20 H 17.31 -11.70 C:111 19.73 -13.50 C:19 17.31 -13.50 C:21 17.31 -7.83 C:20 16.88 -12.62 O 15.41 -15.04 C:162 16.09 -13.82 C:21 19.73 -9.26 C:19 14.80 -9.26 C:34 19.73 -10.70 C:45 18.52 -8.54 C:42 16.05 -8.54 C:43 14.80 -10.70 N 15.37 -12.62 C:150 18.52 -12.80 C:45 18.52 -11.40 C:45 17.31 -9.26 C:57 16.05 -11.40 C:56 17.31 -10.70 19 1 -2 2 15 2 3 15 1 17 4 -1 18 5 -1 6 7 2 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 16 1 11 17 1 12 17 1 13 18 1 18 14 -2 16 15 -2 16 19 1 17 19 1 18 19 1', 'C16H27NO', 249.185, 'C', 'hca08_426_3', 4794, '', '', '1', 47, NULL, NULL),
(19115, '', '4α-Formamidogorgon-11-ene', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]12[C@@H:6]([C:11](=[CH2:12])[CH3:13])[CH2:7][CH2:8][CH2:9][C@@:10]1([CH3:14])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:15])N[CH:4001]=O', '[H][C@@]12[C@@H](C(=C)C)CCC[C@@]1(C)CCC[C@@]2(C)NC=O', '[H][C@@:56]12[C@@H:45]([C:150](=[CH2:112])[CH3:19])[CH2:34][CH2:21][CH2:45][C@@:36]1([CH3:21])[CH2:41][CH2:19][CH2:43][C@@:59]2([CH3:20])N[CH:160]=O', '19 20 H 17.31 -11.98 C:12 19.73 -13.78 C:13 17.31 -13.78 C:14 17.31 -8.11 C:15 16.88 -12.90 O 17.36 -14.71 C:4001 16.09 -14.10 C:8 19.73 -9.54 C:2 14.80 -9.54 C:7 19.73 -10.98 C:9 18.52 -8.82 C:1 16.05 -8.82 C:3 14.80 -10.98 N 15.37 -12.90 C:11 18.52 -13.08 C:6 18.52 -11.68 C:10 17.31 -9.54 C:4 16.05 -11.68 C:5 17.31 -10.98 19 1 -2 2 15 2 3 15 1 17 4 -1 18 5 -1 6 7 2 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 16 1 11 17 1 12 17 1 13 18 1 18 14 -2 16 15 -2 16 19 1 17 19 1 18 19 1', '19 20 H 17.31 -11.98 C 19.73 -13.78 C 17.31 -13.78 C 17.31 -8.11 C 16.88 -12.90 O 17.36 -14.71 C 16.09 -14.10 C 19.73 -9.54 C 14.80 -9.54 C 19.73 -10.98 C 18.52 -8.82 C 16.05 -8.82 C 14.80 -10.98 N 15.37 -12.90 C 18.52 -13.08 C 18.52 -11.68 C 17.31 -9.54 C 16.05 -11.68 C 17.31 -10.98 19 1 -2 2 15 2 3 15 1 17 4 -1 18 5 -1 6 7 2 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 16 1 11 17 1 12 17 1 13 18 1 18 14 -2 16 15 -2 16 19 1 17 19 1 18 19 1', '19 20 H 17.31 -11.98 C:112 19.73 -13.78 C:19 17.31 -13.78 C:21 17.31 -8.11 C:20 16.88 -12.90 O 17.36 -14.71 C:160 16.09 -14.10 C:21 19.73 -9.54 C:19 14.80 -9.54 C:34 19.73 -10.98 C:45 18.52 -8.82 C:41 16.05 -8.82 C:43 14.80 -10.98 N 15.37 -12.90 C:150 18.52 -13.08 C:45 18.52 -11.68 C:36 17.31 -9.54 C:59 16.05 -11.68 C:56 17.31 -10.98 19 1 -2 2 15 2 3 15 1 17 4 -1 18 5 -1 6 7 2 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 16 1 11 17 1 12 17 1 13 18 1 18 14 -2 16 15 -2 16 19 1 17 19 1 18 19 1', 'C16H27NO', 249.185, 'C+C', 'hca08_426_3', 4794, '', '', '1', 47, NULL, NULL),
(19116, '', '5α-(cinnamoyloxy)-8,12-epoxy-3-methoxy-7βH,8αH-eudesma-3,11-dien-6-one', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:8]34[CH2:9][C@@:10]1([CH3:14])[CH2:1][CH2:2][C:3](O[CH3:3001])=[C:4]([CH3:15])[C@:5]1(O[C:5001](=O)[CH:5002]=[CH:5003][c:5004]2[cH:5009][cH:5008][cH:5007][cH:5006][cH:5005]2)[C:6](=O)[C@@:7]3([H])[C:11]([CH3:13])=[CH:12]O4', '[H][C@@]34C[C@@]1(C)CCC(OC)=C(C)[C@]1(OC(=O)C=Cc2ccccc2)C(=O)[C@@]3([H])C(C)=CO4', '[H][C@@:77]34[CH2:38][C@@:41]1([CH3:23])[CH2:34][CH2:25][C:150](O[CH3:55])=[C:136]([CH3:25])[C@:88]1(O[C:169](=O)[CH:121]=[CH:144][c:135]2[cH:129][cH:129][cH:130][cH:129][cH:129]2)[C:202](=O)[C@@:64]3([H])[C:123]([CH3:10])=[CH:146]O4', '32 35 H 19.83 -6.54 H 19.83 -10.03 C:3001 13.53 -11.14 C:13 21.62 -10.78 C:15 16.02 -11.18 C:14 17.26 -6.10 O 18.47 -12.51 O 18.54 -11.14 C:5002 16.05 -12.51 C:5003 16.05 -13.91 C:12 22.02 -8.29 C:5007 12.43 -16.01 C:5008 12.43 -14.61 C:5006 13.63 -16.71 C:5009 13.63 -13.91 C:5005 14.84 -16.01 C:2 14.77 -7.56 C:1 16.02 -6.83 C:9 18.54 -6.83 O 13.58 -9.74 O 21.17 -7.14 O 17.26 -10.42 C:5001 17.26 -11.82 C:11 21.17 -9.43 C:4 16.02 -9.74 C:3 14.77 -9.02 C:6 18.54 -9.74 C:5004 14.84 -14.61 C:8 19.83 -7.56 C:10 17.26 -7.56 C:7 19.83 -9.02 C:5 17.26 -9.02 29 1 -2 31 2 -1 3 20 1 4 24 1 5 25 1 30 6 -1 7 23 2 8 27 2 9 10 2 9 23 1 10 28 1 11 21 1 11 24 2 12 13 1 12 14 2 13 15 2 14 16 1 15 28 1 16 28 2 17 18 1 17 26 1 18 30 1 19 29 1 19 30 1 20 26 1 21 29 1 22 23 1 32 22 -2 24 31 1 25 26 2 25 32 1 27 31 1 27 32 1 29 31 1 30 32 1', '32 35 H 19.83 -6.54 H 19.83 -10.03 C 13.53 -11.14 C 21.62 -10.78 C 16.02 -11.18 C 17.26 -6.10 O 18.47 -12.51 O 18.54 -11.14 C 16.05 -12.51 C 16.05 -13.91 C 22.02 -8.29 C 12.43 -16.01 C 12.43 -14.61 C 13.63 -16.71 C 13.63 -13.91 C 14.84 -16.01 C 14.77 -7.56 C 16.02 -6.83 C 18.54 -6.83 O 13.58 -9.74 O 21.17 -7.14 O 17.26 -10.42 C 17.26 -11.82 C 21.17 -9.43 C 16.02 -9.74 C 14.77 -9.02 C 18.54 -9.74 C 14.84 -14.61 C 19.83 -7.56 C 17.26 -7.56 C 19.83 -9.02 C 17.26 -9.02 29 1 -2 31 2 -1 3 20 1 4 24 1 5 25 1 30 6 -1 7 23 2 8 27 2 9 10 2 9 23 1 10 28 1 11 21 1 11 24 2 12 13 1 12 14 2 13 15 2 14 16 1 15 28 1 16 28 2 17 18 1 17 26 1 18 30 1 19 29 1 19 30 1 20 26 1 21 29 1 22 23 1 32 22 -2 24 31 1 25 26 2 25 32 1 27 31 1 27 32 1 29 31 1 30 32 1', '32 35 H 19.83 -6.54 H 19.83 -10.03 C:55 13.53 -11.14 C:10 21.62 -10.78 C:25 16.02 -11.18 C:23 17.26 -6.10 O 18.47 -12.51 O 18.54 -11.14 C:121 16.05 -12.51 C:144 16.05 -13.91 C:146 22.02 -8.29 C:130 12.43 -16.01 C:129 12.43 -14.61 C:129 13.63 -16.71 C:129 13.63 -13.91 C:129 14.84 -16.01 C:25 14.77 -7.56 C:34 16.02 -6.83 C:38 18.54 -6.83 O 13.58 -9.74 O 21.17 -7.14 O 17.26 -10.42 C:169 17.26 -11.82 C:123 21.17 -9.43 C:136 16.02 -9.74 C:150 14.77 -9.02 C:202 18.54 -9.74 C:135 14.84 -14.61 C:77 19.83 -7.56 C:41 17.26 -7.56 C:64 19.83 -9.02 C:88 17.26 -9.02 29 1 -2 31 2 -1 3 20 1 4 24 1 5 25 1 30 6 -1 7 23 2 8 27 2 9 10 2 9 23 1 10 28 1 11 21 1 11 24 2 12 13 1 12 14 2 13 15 2 14 16 1 15 28 1 16 28 2 17 18 1 17 26 1 18 30 1 19 29 1 19 30 1 20 26 1 21 29 1 22 23 1 32 22 -2 24 31 1 25 26 2 25 32 1 27 31 1 27 32 1 29 31 1 30 32 1', 'C25H28O5', 408.28, 'P', 'hca08_725_1', 4795, '', '', '1', 47, NULL, NULL),
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(19132, 'Shizukaol K', '', 'Terpenoids', 'Sesquiterpenoids', 'Lindenanes', '[H][C@:6]16[C:7](=[C:11]([CH3:13])[C:12](=O)O[CH3:12001])[C:8](=O)[C@H:9](O)[C@:10]8([CH3:14])[C:5]1=[C:4]([CH2:15][C@H:109]5[C@@:110]3([CH3:114])[C@@H:101]2[CH2:102][C@@H:103]2[C@@:104](O)([CH2:115]O[C:201](=O)[CH:202]=[C:203]([CH3:205])[CH3:204])[C@:105]3([H])[CH2:106][C:107]4=[C:111]([CH2:113]O[C:209]([CH3:208])=O)[C:112](=O)O[C@@:108]456)[C@H:3]7[CH2:2][C@H:1]78', '[H][C@]16C(=C(C)C(=O)OC)C(=O)[C@H](O)[C@]8(C)C1=C(C[C@H]5[C@@]3(C)[C@@H]2C[C@@H]2[C@@](O)(COC(=O)C=C(C)C)[C@]3([H])CC4=C(COC(C)=O)C(=O)O[C@@]456)[C@H]7C[C@H]78', '[H][C@:41]16[C:131](=[C:148]([CH3:20])[C:170](=O)O[CH3:52])[C:200](=O)[C@H:80](O)[C@:51]8([CH3:15])[C:132]1=[C:142]([CH2:25][C@H:56]5[C@@:44]3([CH3:26])[C@@H:25]2[CH2:12][C@@H:28]2[C@@:77](O)([CH2:70]O[C:166](=O)[CH:115]=[C:158]([CH3:20])[CH3:27])[C@:60]3([H])[CH2:22][C:172]4=[C:123]([CH2:55]O[C:170]([CH3:20])=O)[C:171](=O)O[C@@:93]456)[C@H:25]7[CH2:16][C@H:26]78', '51 58 H 17.61 -8.96 H 14.36 -13.13 C:12001 22.89 -7.61 C:205 15.03 -18.65 C:204 17.13 -17.43 C:208 19.53 -16.56 C:13 19.24 -9.73 C:14 15.69 -4.87 C:114 14.36 -9.26 O 21.84 -15.77 O 12.90 -17.43 O 20.47 -6.25 O 20.40 -11.40 O 19.24 -5.52 O 16.82 -4.17 O 11.80 -13.23 C:202 15.03 -16.22 C:113 18.62 -13.89 C:15 15.59 -8.75 C:115 13.65 -13.80 C:2 12.90 -5.69 C:102 11.64 -10.13 C:106 15.59 -12.84 O 21.68 -8.32 O 20.00 -14.17 O 12.90 -14.98 O 18.17 -10.27 C:203 15.73 -17.43 C:209 20.47 -15.50 C:201 13.65 -16.22 C:11 19.24 -8.32 C:12 20.47 -7.61 C:112 18.93 -11.40 C:8 18.03 -6.25 C:111 18.17 -12.59 C:4 14.36 -8.02 C:107 16.82 -12.14 C:7 18.03 -7.61 C:5 15.73 -7.61 C:9 16.82 -5.58 C:3 13.65 -6.93 C:1 14.36 -5.84 C:101 12.90 -10.27 C:103 12.21 -11.40 C:109 15.59 -9.99 C:6 16.82 -8.27 C:105 14.36 -12.14 C:10 15.73 -6.25 C:110 14.36 -10.70 C:104 12.90 -12.59 C:108 16.82 -10.70 46 1 -1 47 2 -2 3 24 1 4 28 1 5 28 1 6 29 1 7 31 1 48 8 -1 49 9 -1 10 29 2 11 30 2 12 32 2 13 33 2 14 34 2 40 15 -1 50 16 -1 17 28 2 17 30 1 18 25 1 18 35 1 19 36 1 45 19 -2 20 26 1 50 20 -2 41 21 -1 42 21 -1 43 22 -1 44 22 -1 23 37 1 23 47 1 24 32 1 25 29 1 26 30 1 27 33 1 51 27 -1 31 32 1 31 38 2 33 35 1 34 38 1 34 40 1 35 37 2 36 39 2 36 41 1 37 51 1 38 46 1 39 46 1 39 48 1 40 48 1 41 42 1 42 48 1 43 44 1 43 49 1 44 50 1 45 49 1 45 51 1 46 51 1 47 49 1 47 50 1', '51 58 H 17.61 -8.96 H 14.36 -13.13 C 22.89 -7.61 C 15.03 -18.65 C 17.13 -17.43 C 19.53 -16.56 C 19.24 -9.73 C 15.69 -4.87 C 14.36 -9.26 O 21.84 -15.77 O 12.90 -17.43 O 20.47 -6.25 O 20.40 -11.40 O 19.24 -5.52 O 16.82 -4.17 O 11.80 -13.23 C 15.03 -16.22 C 18.62 -13.89 C 15.59 -8.75 C 13.65 -13.80 C 12.90 -5.69 C 11.64 -10.13 C 15.59 -12.84 O 21.68 -8.32 O 20.00 -14.17 O 12.90 -14.98 O 18.17 -10.27 C 15.73 -17.43 C 20.47 -15.50 C 13.65 -16.22 C 19.24 -8.32 C 20.47 -7.61 C 18.93 -11.40 C 18.03 -6.25 C 18.17 -12.59 C 14.36 -8.02 C 16.82 -12.14 C 18.03 -7.61 C 15.73 -7.61 C 16.82 -5.58 C 13.65 -6.93 C 14.36 -5.84 C 12.90 -10.27 C 12.21 -11.40 C 15.59 -9.99 C 16.82 -8.27 C 14.36 -12.14 C 15.73 -6.25 C 14.36 -10.70 C 12.90 -12.59 C 16.82 -10.70 46 1 -1 47 2 -2 3 24 1 4 28 1 5 28 1 6 29 1 7 31 1 48 8 -1 49 9 -1 10 29 2 11 30 2 12 32 2 13 33 2 14 34 2 40 15 -1 50 16 -1 17 28 2 17 30 1 18 25 1 18 35 1 19 36 1 45 19 -2 20 26 1 50 20 -2 41 21 -1 42 21 -1 43 22 -1 44 22 -1 23 37 1 23 47 1 24 32 1 25 29 1 26 30 1 27 33 1 51 27 -1 31 32 1 31 38 2 33 35 1 34 38 1 34 40 1 35 37 2 36 39 2 36 41 1 37 51 1 38 46 1 39 46 1 39 48 1 40 48 1 41 42 1 42 48 1 43 44 1 43 49 1 44 50 1 45 49 1 45 51 1 46 51 1 47 49 1 47 50 1', '51 58 H 17.61 -8.96 H 14.36 -13.13 C:52 22.89 -7.61 C:20 15.03 -18.65 C:27 17.13 -17.43 C:20 19.53 -16.56 C:20 19.24 -9.73 C:15 15.69 -4.87 C:26 14.36 -9.26 O 21.84 -15.77 O 12.90 -17.43 O 20.47 -6.25 O 20.40 -11.40 O 19.24 -5.52 O 16.82 -4.17 O 11.80 -13.23 C:115 15.03 -16.22 C:55 18.62 -13.89 C:25 15.59 -8.75 C:70 13.65 -13.80 C:16 12.90 -5.69 C:12 11.64 -10.13 C:22 15.59 -12.84 O 21.68 -8.32 O 20.00 -14.17 O 12.90 -14.98 O 18.17 -10.27 C:158 15.73 -17.43 C:170 20.47 -15.50 C:166 13.65 -16.22 C:148 19.24 -8.32 C:170 20.47 -7.61 C:171 18.93 -11.40 C:200 18.03 -6.25 C:123 18.17 -12.59 C:142 14.36 -8.02 C:172 16.82 -12.14 C:131 18.03 -7.61 C:132 15.73 -7.61 C:80 16.82 -5.58 C:25 13.65 -6.93 C:26 14.36 -5.84 C:25 12.90 -10.27 C:28 12.21 -11.40 C:56 15.59 -9.99 C:41 16.82 -8.27 C:60 14.36 -12.14 C:51 15.73 -6.25 C:44 14.36 -10.70 C:77 12.90 -12.59 C:93 16.82 -10.70 46 1 -1 47 2 -2 3 24 1 4 28 1 5 28 1 6 29 1 7 31 1 48 8 -1 49 9 -1 10 29 2 11 30 2 12 32 2 13 33 2 14 34 2 40 15 -1 50 16 -1 17 28 2 17 30 1 18 25 1 18 35 1 19 36 1 45 19 -2 20 26 1 50 20 -2 41 21 -1 42 21 -1 43 22 -1 44 22 -1 23 37 1 23 47 1 24 32 1 25 29 1 26 30 1 27 33 1 51 27 -1 31 32 1 31 38 2 33 35 1 34 38 1 34 40 1 35 37 2 36 39 2 36 41 1 37 51 1 38 46 1 39 46 1 39 48 1 40 48 1 41 42 1 42 48 1 43 44 1 43 49 1 44 50 1 45 49 1 45 51 1 46 51 1 47 49 1 47 50 1', 'C38H44O11', 676.416, 'C', 'np08_674_1', 4798, '', '', '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
(19133, 'Shizukaol L', '', 'Terpenoids', 'Sesquiterpenoids', 'Lindenanes', '[H][C@:6]16[C:7](=[C:11]([CH3:13])[C:12](=O)O[CH3:12001])[C:8](=O)[C@H:9](O)[C@:10]8([CH3:14])[C:5]1=[C:4]([CH2:15][C@H:109]5[C@@:110]3([CH3:114])[C@@H:101]2[CH2:102][C@@H:103]2[C@@:104](O)([CH2:115]O[C:201](=O)[C:202]([CH3:205])=[CH:203][C:204](=O)O)[C@:105]3([H])[CH2:106][C:107]4=[C:111]([CH3:113])[C:112](=O)O[C@@:108]456)[C@H:3]7[CH2:2][C@H:1]78', '[H][C@]16C(=C(C)C(=O)OC)C(=O)[C@H](O)[C@]8(C)C1=C(C[C@H]5[C@@]3(C)[C@@H]2C[C@@H]2[C@@](O)(COC(=O)C(C)=CC(=O)O)[C@]3([H])CC4=C(C)C(=O)O[C@@]456)[C@H]7C[C@H]78', '[H][C@:41]16[C:132](=[C:148]([CH3:20])[C:171](=O)O[CH3:53])[C:201](=O)[C@H:80](O)[C@:51]8([CH3:14])[C:132]1=[C:142]([CH2:25][C@H:56]5[C@@:45]3([CH3:25])[C@@H:25]2[CH2:12][C@@H:28]2[C@@:77](O)([CH2:71]O[C:166](=O)[C:145]([CH3:15])=[CH:127][C:170](=O)O)[C@:60]3([H])[CH2:22][C:165]4=[C:125]([CH3:9])[C:174](=O)O[C@@:93]456)[C@H:25]7[CH2:16][C@H:26]78', '49 56 H 17.60 -9.52 H 14.35 -13.68 C:12001 22.88 -8.17 C:205 15.68 -18.07 C:113 18.61 -14.45 C:13 19.23 -10.29 C:14 15.68 -5.43 C:114 14.35 -9.82 O 17.86 -14.40 O 12.89 -17.99 O 20.46 -6.81 O 20.39 -11.95 O 19.23 -6.08 O 17.86 -16.82 O 16.81 -4.73 O 11.79 -13.78 C:203 15.74 -15.61 C:15 15.58 -9.31 C:115 13.63 -14.36 C:2 12.89 -6.25 C:102 11.63 -10.68 C:106 15.58 -13.39 O 21.67 -8.88 O 12.89 -15.54 O 18.16 -10.82 C:204 17.15 -15.61 C:202 15.02 -16.78 C:111 18.16 -13.14 C:11 19.23 -8.88 C:201 13.63 -16.78 C:12 20.46 -8.17 C:112 18.92 -11.95 C:8 18.02 -6.81 C:4 14.35 -8.58 C:107 16.81 -12.69 C:7 18.02 -8.17 C:5 15.74 -8.17 C:9 16.81 -6.14 C:3 13.63 -7.49 C:1 14.35 -6.40 C:101 12.89 -10.82 C:103 12.20 -11.95 C:109 15.58 -10.54 C:6 16.81 -8.83 C:105 14.35 -12.69 C:10 15.74 -6.81 C:110 14.35 -11.25 C:104 12.89 -13.14 C:108 16.81 -11.25 44 1 -1 45 2 -2 3 23 1 4 27 1 5 28 1 6 29 1 46 7 -1 47 8 -1 9 26 2 10 30 2 11 31 2 12 32 2 13 33 2 14 26 1 38 15 -1 48 16 -1 17 26 1 17 27 2 18 34 1 43 18 -2 19 24 1 48 19 -2 39 20 -1 40 20 -1 41 21 -1 42 21 -1 22 35 1 22 45 1 23 31 1 24 30 1 25 32 1 49 25 -1 27 30 1 28 32 1 28 35 2 29 31 1 29 36 2 33 36 1 33 38 1 34 37 2 34 39 1 35 49 1 36 44 1 37 44 1 37 46 1 38 46 1 39 40 1 40 46 1 41 42 1 41 47 1 42 48 1 43 47 1 43 49 1 44 49 1 45 47 1 45 48 1', '49 56 H 17.60 -9.52 H 14.35 -13.68 C 22.88 -8.17 C 15.68 -18.07 C 18.61 -14.45 C 19.23 -10.29 C 15.68 -5.43 C 14.35 -9.82 O 17.86 -14.40 O 12.89 -17.99 O 20.46 -6.81 O 20.39 -11.95 O 19.23 -6.08 O 17.86 -16.82 O 16.81 -4.73 O 11.79 -13.78 C 15.74 -15.61 C 15.58 -9.31 C 13.63 -14.36 C 12.89 -6.25 C 11.63 -10.68 C 15.58 -13.39 O 21.67 -8.88 O 12.89 -15.54 O 18.16 -10.82 C 17.15 -15.61 C 15.02 -16.78 C 18.16 -13.14 C 19.23 -8.88 C 13.63 -16.78 C 20.46 -8.17 C 18.92 -11.95 C 18.02 -6.81 C 14.35 -8.58 C 16.81 -12.69 C 18.02 -8.17 C 15.74 -8.17 C 16.81 -6.14 C 13.63 -7.49 C 14.35 -6.40 C 12.89 -10.82 C 12.20 -11.95 C 15.58 -10.54 C 16.81 -8.83 C 14.35 -12.69 C 15.74 -6.81 C 14.35 -11.25 C 12.89 -13.14 C 16.81 -11.25 44 1 -1 45 2 -2 3 23 1 4 27 1 5 28 1 6 29 1 46 7 -1 47 8 -1 9 26 2 10 30 2 11 31 2 12 32 2 13 33 2 14 26 1 38 15 -1 48 16 -1 17 26 1 17 27 2 18 34 1 43 18 -2 19 24 1 48 19 -2 39 20 -1 40 20 -1 41 21 -1 42 21 -1 22 35 1 22 45 1 23 31 1 24 30 1 25 32 1 49 25 -1 27 30 1 28 32 1 28 35 2 29 31 1 29 36 2 33 36 1 33 38 1 34 37 2 34 39 1 35 49 1 36 44 1 37 44 1 37 46 1 38 46 1 39 40 1 40 46 1 41 42 1 41 47 1 42 48 1 43 47 1 43 49 1 44 49 1 45 47 1 45 48 1', '49 56 H 17.60 -9.52 H 14.35 -13.68 C:53 22.88 -8.17 C:15 15.68 -18.07 C:9 18.61 -14.45 C:20 19.23 -10.29 C:14 15.68 -5.43 C:25 14.35 -9.82 O 17.86 -14.40 O 12.89 -17.99 O 20.46 -6.81 O 20.39 -11.95 O 19.23 -6.08 O 17.86 -16.82 O 16.81 -4.73 O 11.79 -13.78 C:127 15.74 -15.61 C:25 15.58 -9.31 C:71 13.63 -14.36 C:16 12.89 -6.25 C:12 11.63 -10.68 C:22 15.58 -13.39 O 21.67 -8.88 O 12.89 -15.54 O 18.16 -10.82 C:170 17.15 -15.61 C:145 15.02 -16.78 C:125 18.16 -13.14 C:148 19.23 -8.88 C:166 13.63 -16.78 C:171 20.46 -8.17 C:174 18.92 -11.95 C:201 18.02 -6.81 C:142 14.35 -8.58 C:165 16.81 -12.69 C:132 18.02 -8.17 C:132 15.74 -8.17 C:80 16.81 -6.14 C:25 13.63 -7.49 C:26 14.35 -6.40 C:25 12.89 -10.82 C:28 12.20 -11.95 C:56 15.58 -10.54 C:41 16.81 -8.83 C:60 14.35 -12.69 C:51 15.74 -6.81 C:45 14.35 -11.25 C:77 12.89 -13.14 C:93 16.81 -11.25 44 1 -1 45 2 -2 3 23 1 4 27 1 5 28 1 6 29 1 46 7 -1 47 8 -1 9 26 2 10 30 2 11 31 2 12 32 2 13 33 2 14 26 1 38 15 -1 48 16 -1 17 26 1 17 27 2 18 34 1 43 18 -2 19 24 1 48 19 -2 39 20 -1 40 20 -1 41 21 -1 42 21 -1 22 35 1 22 45 1 23 31 1 24 30 1 25 32 1 49 25 -1 27 30 1 28 32 1 28 35 2 29 31 1 29 36 2 33 36 1 33 38 1 34 37 2 34 39 1 35 49 1 36 44 1 37 44 1 37 46 1 38 46 1 39 40 1 40 46 1 41 42 1 41 47 1 42 48 1 43 47 1 43 49 1 44 49 1 45 47 1 45 48 1', 'C36H40O11', 648.394, 'C', 'np08_674_2', 4798, '', '', '1', 47, NULL, NULL),
(19134, 'Shizukaol M', '', 'Terpenoids', 'Sesquiterpenoids', 'Lindenanes', '[H][C@:6]16[C:7](=[C:11]([CH3:13])[C:12](=O)O[CH3:12001])[C:8](=O)[C@H:9](O)[C@:10]8([CH3:14])[C:5]1=[C:4]([CH2:15][C@H:109]5[C@@:110]3([CH3:114])[C@@H:101]2[CH2:102][C@@H:103]2[C@@:104](O)([CH2:115]O[C:201](=O)[CH:202]=[C:203]([CH3:205])[CH2:204]O)[C@:105]3([H])[CH2:106][C:107]4=[C:111]([CH3:113])[C:112](=O)O[C@@:108]456)[C@H:3]7[CH2:2][C@H:1]78', '[H][C@]16C(=C(C)C(=O)OC)C(=O)[C@H](O)[C@]8(C)C1=C(C[C@H]5[C@@]3(C)[C@@H]2C[C@@H]2[C@@](O)(COC(=O)C=C(C)CO)[C@]3([H])CC4=C(C)C(=O)O[C@@]456)[C@H]7C[C@H]78', '[H][C@:41]16[C:132](=[C:146]([CH3:20])[C:171](=O)O[CH3:53])[C:200](=O)[C@H:80](O)[C@:51]8([CH3:15])[C:132]1=[C:142]([CH2:25][C@H:55]5[C@@:45]3([CH3:26])[C@@H:25]2[CH2:12][C@@H:28]2[C@@:77](O)([CH2:71]O[C:167](=O)[CH:113]=[C:160]([CH3:16])[CH2:67]O)[C@:60]3([H])[CH2:22][C:165]4=[C:124]([CH3:8])[C:174](=O)O[C@@:93]456)[C@H:25]7[CH2:16][C@H:26]78', '48 55 H 17.61 -8.96 H 14.35 -13.14 C:12001 22.89 -7.61 C:205 15.02 -18.66 C:113 18.62 -13.90 C:13 19.24 -9.73 C:14 15.68 -4.87 C:114 14.35 -9.26 O 12.90 -17.44 O 20.47 -6.25 O 20.40 -11.40 O 19.24 -5.52 O 17.83 -18.66 O 16.81 -4.17 O 11.80 -13.24 C:202 15.02 -16.23 C:204 17.12 -17.44 C:15 15.58 -8.75 C:115 13.64 -13.81 C:2 12.90 -5.69 C:102 11.64 -10.13 C:106 15.58 -12.85 O 21.68 -8.32 O 12.90 -14.99 O 18.17 -10.27 C:203 15.72 -17.44 C:201 13.64 -16.23 C:111 18.17 -12.60 C:11 19.24 -8.32 C:12 20.47 -7.61 C:112 18.93 -11.40 C:8 18.03 -6.25 C:4 14.35 -8.02 C:107 16.81 -12.14 C:7 18.03 -7.61 C:5 15.72 -7.61 C:9 16.81 -5.58 C:3 13.64 -6.93 C:1 14.35 -5.84 C:101 12.90 -10.27 C:103 12.21 -11.40 C:109 15.58 -9.99 C:6 16.81 -8.27 C:105 14.35 -12.14 C:10 15.72 -6.25 C:110 14.35 -10.70 C:104 12.90 -12.60 C:108 16.81 -10.70 43 1 -1 44 2 -2 3 23 1 4 26 1 5 28 1 6 29 1 45 7 -1 46 8 -1 9 27 2 10 30 2 11 31 2 12 32 2 13 17 1 37 14 -1 47 15 -1 16 26 2 16 27 1 17 26 1 18 33 1 42 18 -2 19 24 1 47 19 -2 38 20 -1 39 20 -1 40 21 -1 41 21 -1 22 34 1 22 44 1 23 30 1 24 27 1 25 31 1 48 25 -1 28 31 1 28 34 2 29 30 1 29 35 2 32 35 1 32 37 1 33 36 2 33 38 1 34 48 1 35 43 1 36 43 1 36 45 1 37 45 1 38 39 1 39 45 1 40 41 1 40 46 1 41 47 1 42 46 1 42 48 1 43 48 1 44 46 1 44 47 1', '48 55 H 17.61 -8.96 H 14.35 -13.14 C 22.89 -7.61 C 15.02 -18.66 C 18.62 -13.90 C 19.24 -9.73 C 15.68 -4.87 C 14.35 -9.26 O 12.90 -17.44 O 20.47 -6.25 O 20.40 -11.40 O 19.24 -5.52 O 17.83 -18.66 O 16.81 -4.17 O 11.80 -13.24 C 15.02 -16.23 C 17.12 -17.44 C 15.58 -8.75 C 13.64 -13.81 C 12.90 -5.69 C 11.64 -10.13 C 15.58 -12.85 O 21.68 -8.32 O 12.90 -14.99 O 18.17 -10.27 C 15.72 -17.44 C 13.64 -16.23 C 18.17 -12.60 C 19.24 -8.32 C 20.47 -7.61 C 18.93 -11.40 C 18.03 -6.25 C 14.35 -8.02 C 16.81 -12.14 C 18.03 -7.61 C 15.72 -7.61 C 16.81 -5.58 C 13.64 -6.93 C 14.35 -5.84 C 12.90 -10.27 C 12.21 -11.40 C 15.58 -9.99 C 16.81 -8.27 C 14.35 -12.14 C 15.72 -6.25 C 14.35 -10.70 C 12.90 -12.60 C 16.81 -10.70 43 1 -1 44 2 -2 3 23 1 4 26 1 5 28 1 6 29 1 45 7 -1 46 8 -1 9 27 2 10 30 2 11 31 2 12 32 2 13 17 1 37 14 -1 47 15 -1 16 26 2 16 27 1 17 26 1 18 33 1 42 18 -2 19 24 1 47 19 -2 38 20 -1 39 20 -1 40 21 -1 41 21 -1 22 34 1 22 44 1 23 30 1 24 27 1 25 31 1 48 25 -1 28 31 1 28 34 2 29 30 1 29 35 2 32 35 1 32 37 1 33 36 2 33 38 1 34 48 1 35 43 1 36 43 1 36 45 1 37 45 1 38 39 1 39 45 1 40 41 1 40 46 1 41 47 1 42 46 1 42 48 1 43 48 1 44 46 1 44 47 1', '48 55 H 17.61 -8.96 H 14.35 -13.14 C:53 22.89 -7.61 C:16 15.02 -18.66 C:8 18.62 -13.90 C:20 19.24 -9.73 C:15 15.68 -4.87 C:26 14.35 -9.26 O 12.90 -17.44 O 20.47 -6.25 O 20.40 -11.40 O 19.24 -5.52 O 17.83 -18.66 O 16.81 -4.17 O 11.80 -13.24 C:113 15.02 -16.23 C:67 17.12 -17.44 C:25 15.58 -8.75 C:71 13.64 -13.81 C:16 12.90 -5.69 C:12 11.64 -10.13 C:22 15.58 -12.85 O 21.68 -8.32 O 12.90 -14.99 O 18.17 -10.27 C:160 15.72 -17.44 C:167 13.64 -16.23 C:124 18.17 -12.60 C:146 19.24 -8.32 C:171 20.47 -7.61 C:174 18.93 -11.40 C:200 18.03 -6.25 C:142 14.35 -8.02 C:165 16.81 -12.14 C:132 18.03 -7.61 C:132 15.72 -7.61 C:80 16.81 -5.58 C:25 13.64 -6.93 C:26 14.35 -5.84 C:25 12.90 -10.27 C:28 12.21 -11.40 C:55 15.58 -9.99 C:41 16.81 -8.27 C:60 14.35 -12.14 C:51 15.72 -6.25 C:45 14.35 -10.70 C:77 12.90 -12.60 C:93 16.81 -10.70 43 1 -1 44 2 -2 3 23 1 4 26 1 5 28 1 6 29 1 45 7 -1 46 8 -1 9 27 2 10 30 2 11 31 2 12 32 2 13 17 1 37 14 -1 47 15 -1 16 26 2 16 27 1 17 26 1 18 33 1 42 18 -2 19 24 1 47 19 -2 38 20 -1 39 20 -1 40 21 -1 41 21 -1 22 34 1 22 44 1 23 30 1 24 27 1 25 31 1 48 25 -1 28 31 1 28 34 2 29 30 1 29 35 2 32 35 1 32 37 1 33 36 2 33 38 1 34 48 1 35 43 1 36 43 1 36 45 1 37 45 1 38 39 1 39 45 1 40 41 1 40 46 1 41 47 1 42 46 1 42 48 1 43 48 1 44 46 1 44 47 1', 'C36H42O10', 634.395, 'C', 'np08_674_3', 4798, '', '', '1', 47, NULL, NULL),
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(19143, '', '3-Ethoxy-4-hydroxybenzaldehyde', 'Aromatics', 'Phenyl-alkanoids', 'Phenylmethanoids', '[CH3:3002][CH2:3001]O[c:3]1[cH:2][c:1]([CH:7]=O)[cH:6][cH:5][c:4]1O', 'CCOc1cc(C=O)ccc1O', '[CH3:15][CH2:65]O[c:146]1[cH:110][c:130]([CH:191]=O)[cH:127][cH:114][c:152]1O', '12 12 C:3002 15.41 -14.57 O 20.29 -8.98 O 14.25 -11.13 C:7 19.08 -8.28 C:6 16.63 -8.28 C:5 15.45 -8.98 C:2 17.85 -10.40 C:3001 15.41 -13.17 O 16.63 -12.48 C:1 17.85 -8.98 C:4 15.45 -10.40 C:3 16.63 -11.08 1 8 1 2 4 2 3 11 1 4 10 1 5 6 1 5 10 2 6 11 2 7 10 1 7 12 2 8 9 1 9 12 1 11 12 1', '12 12 C 15.41 -14.57 O 20.29 -8.98 O 14.25 -11.13 C 19.08 -8.28 C 16.63 -8.28 C 15.45 -8.98 C 17.85 -10.40 C 15.41 -13.17 O 16.63 -12.48 C 17.85 -8.98 C 15.45 -10.40 C 16.63 -11.08 1 8 1 2 4 2 3 11 1 4 10 1 5 6 1 5 10 2 6 11 2 7 10 1 7 12 2 8 9 1 9 12 1 11 12 1', '12 12 C:15 15.41 -14.57 O 20.29 -8.98 O 14.25 -11.13 C:191 19.08 -8.28 C:127 16.63 -8.28 C:114 15.45 -8.98 C:110 17.85 -10.40 C:65 15.41 -13.17 O 16.63 -12.48 C:130 17.85 -8.98 C:152 15.45 -10.40 C:146 16.63 -11.08 1 8 1 2 4 2 3 11 1 4 10 1 5 6 1 5 10 2 6 11 2 7 10 1 7 12 2 8 9 1 9 12 1 11 12 1', 'C9H10O3', 166.094, 'C', 'np08_1016_5', 4800, '', '', '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
(19144, '', '(1S,4S,5S,6R,7S,8S,9R,10S)-1-Acetoxy-9-benzoyloxy-8-cinnamoyloxy-4,6-dihydroxydihydro-β-agarofuran', 'Terpenoids', 'Sesquiterpenoids', 'Agarofurans', '[H][C@@:7]14[C@@H:6](O)[C@:5]2(O[C@@:11]1([CH3:13])[CH3:12])[C@@:4]([CH3:14])(O)[CH2:3][CH2:2][C@H:1](O[C:1001]([CH3:1002])=O)[C@@:10]2([CH3:15])[C@@H:9](O[C:9001](=O)[c:9002]3[cH:9007][cH:9006][cH:9005][cH:9004][cH:9003]3)[C@H:8]4O[C:8001](=O)[CH:8002]=[CH:8007][c:8008]5[cH:8013][cH:8012][cH:8011][cH:8010][cH:8009]5', '[H][C@@]14[C@@H](O)[C@]2(O[C@@]1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@H]4OC(=O)C=Cc5ccccc5', '[H][C@@:55]14[C@@H:78](O)[C@:91]2(O[C@@:85]1([CH3:30])[CH3:27])[C@@:73]([CH3:24])(O)[CH2:37][CH2:23][C@H:72](O[C:170]([CH3:21])=O)[C@@:49]2([CH3:20])[C@@H:72](O[C:165](=O)[c:129]3[cH:128][cH:128][cH:130][cH:128][cH:128]3)[C@H:69]4O[C:165](=O)[CH:117]=[CH:145][c:134]5[cH:130][cH:129][cH:133][cH:129][cH:130]5', '43 47 H 16.60 -14.91 C:1002 11.19 -8.67 C:13 16.07 -16.98 C:12 17.01 -15.96 C:14 13.12 -16.13 C:15 13.59 -11.44 O 9.99 -10.77 O 18.42 -14.34 O 17.21 -10.77 O 14.76 -16.40 O 11.72 -16.13 C:8002 19.63 -12.28 C:8007 20.81 -13.03 C:8011 24.47 -11.09 C:9005 15.98 -5.88 C:8012 24.47 -12.49 C:8010 23.29 -10.31 C:9006 17.21 -6.57 C:9004 14.76 -6.57 C:8013 23.23 -13.14 C:8009 22.06 -10.98 C:9007 17.21 -7.98 C:9003 14.76 -7.98 C:2 11.19 -12.85 C:3 11.19 -14.22 O 12.40 -10.77 O 17.21 -12.19 O 14.76 -10.77 O 13.78 -15.68 C:1001 11.19 -10.07 C:8001 18.42 -12.94 C:9001 15.98 -10.07 C:8008 22.06 -12.38 C:9002 15.98 -8.67 C:6 14.76 -14.91 C:1 12.40 -12.13 C:8 15.98 -12.85 C:9 14.76 -12.13 C:11 15.67 -15.68 C:4 12.40 -14.91 C:7 15.98 -14.22 C:10 13.59 -12.85 C:5 13.59 -14.22 41 1 -2 2 30 1 39 3 -1 39 4 -2 40 5 -2 42 6 -2 7 30 2 8 31 2 9 32 2 35 10 -1 40 11 -1 12 13 2 12 31 1 13 33 1 14 16 1 14 17 2 15 18 2 15 19 1 16 20 2 17 21 1 18 22 1 19 23 2 20 33 1 21 33 2 22 34 2 23 34 1 24 25 1 24 36 1 25 40 1 26 30 1 36 26 -2 27 31 1 37 27 -1 28 32 1 38 28 -1 29 39 1 43 29 -1 32 34 1 35 41 1 35 43 1 36 42 1 37 38 1 37 41 1 38 42 1 39 41 1 40 43 1 42 43 1', '43 47 H 16.60 -14.91 C 11.19 -8.67 C 16.07 -16.98 C 17.01 -15.96 C 13.12 -16.13 C 13.59 -11.44 O 9.99 -10.77 O 18.42 -14.34 O 17.21 -10.77 O 14.76 -16.40 O 11.72 -16.13 C 19.63 -12.28 C 20.81 -13.03 C 24.47 -11.09 C 15.98 -5.88 C 24.47 -12.49 C 23.29 -10.31 C 17.21 -6.57 C 14.76 -6.57 C 23.23 -13.14 C 22.06 -10.98 C 17.21 -7.98 C 14.76 -7.98 C 11.19 -12.85 C 11.19 -14.22 O 12.40 -10.77 O 17.21 -12.19 O 14.76 -10.77 O 13.78 -15.68 C 11.19 -10.07 C 18.42 -12.94 C 15.98 -10.07 C 22.06 -12.38 C 15.98 -8.67 C 14.76 -14.91 C 12.40 -12.13 C 15.98 -12.85 C 14.76 -12.13 C 15.67 -15.68 C 12.40 -14.91 C 15.98 -14.22 C 13.59 -12.85 C 13.59 -14.22 41 1 -2 2 30 1 39 3 -1 39 4 -2 40 5 -2 42 6 -2 7 30 2 8 31 2 9 32 2 35 10 -1 40 11 -1 12 13 2 12 31 1 13 33 1 14 16 1 14 17 2 15 18 2 15 19 1 16 20 2 17 21 1 18 22 1 19 23 2 20 33 1 21 33 2 22 34 2 23 34 1 24 25 1 24 36 1 25 40 1 26 30 1 36 26 -2 27 31 1 37 27 -1 28 32 1 38 28 -1 29 39 1 43 29 -1 32 34 1 35 41 1 35 43 1 36 42 1 37 38 1 37 41 1 38 42 1 39 41 1 40 43 1 42 43 1', '43 47 H 16.60 -14.91 C:21 11.19 -8.67 C:30 16.07 -16.98 C:27 17.01 -15.96 C:24 13.12 -16.13 C:20 13.59 -11.44 O 9.99 -10.77 O 18.42 -14.34 O 17.21 -10.77 O 14.76 -16.40 O 11.72 -16.13 C:117 19.63 -12.28 C:145 20.81 -13.03 C:133 24.47 -11.09 C:130 15.98 -5.88 C:129 24.47 -12.49 C:129 23.29 -10.31 C:128 17.21 -6.57 C:128 14.76 -6.57 C:130 23.23 -13.14 C:130 22.06 -10.98 C:128 17.21 -7.98 C:128 14.76 -7.98 C:23 11.19 -12.85 C:37 11.19 -14.22 O 12.40 -10.77 O 17.21 -12.19 O 14.76 -10.77 O 13.78 -15.68 C:170 11.19 -10.07 C:165 18.42 -12.94 C:165 15.98 -10.07 C:134 22.06 -12.38 C:129 15.98 -8.67 C:78 14.76 -14.91 C:72 12.40 -12.13 C:69 15.98 -12.85 C:72 14.76 -12.13 C:85 15.67 -15.68 C:73 12.40 -14.91 C:55 15.98 -14.22 C:49 13.59 -12.85 C:91 13.59 -14.22 41 1 -2 2 30 1 39 3 -1 39 4 -2 40 5 -2 42 6 -2 7 30 2 8 31 2 9 32 2 35 10 -1 40 11 -1 12 13 2 12 31 1 13 33 1 14 16 1 14 17 2 15 18 2 15 19 1 16 20 2 17 21 1 18 22 1 19 23 2 20 33 1 21 33 2 22 34 2 23 34 1 24 25 1 24 36 1 25 40 1 26 30 1 36 26 -2 27 31 1 37 27 -1 28 32 1 38 28 -1 29 39 1 43 29 -1 32 34 1 35 41 1 35 43 1 36 42 1 37 38 1 37 41 1 38 42 1 39 41 1 40 43 1 42 43 1', 'C33H38O9', 578.356, 'C', 'np08_1331_1', 4801, '', '', '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
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