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0 0\n 16 18 2 0 0 0 0\n 16 19 1 0 0 0 0\n 15 20 2 0 0 0 0\n 20 21 1 0 0 0 0\n 21 3 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 2 0 0 0 0\n 25 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 2 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 2 0 0 0 0\n 33 35 2 0 0 0 0\n 33 36 1 0 0 0 0\n 32 37 2 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 2 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 2 0 0 0 0\n 45 40 1 0 0 0 0\n 37 46 1 0 0 0 0\n 46 47 2 0 0 0 0\n 47 30 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 2 0 0 0 0\n 49 28 1 0 0 0 0\n 46 50 1 0 0 0 0\n 23 51 1 0 0 0 0\n 51 52 2 0 0 0 0\n 52 3 1 0 0 0 0\nM CHG 4 1 1 2 1 19 -1 36 -1\nM END", "smiles": "c1ccc(cc1)/N=N/c2c(cc3cc(ccc3c2O)NC(=O)Nc4ccc5c(c4)cc(c(c5O)/N=N/c6ccccc6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]", "formula": "C33H22N6O9S2.2Na", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "756.6756", "optical_activity": "NONE", "references": [ "4843a478-def1-43e0-bc5f-84d597cc1b14" ], "stereo_centers": 0 }, "unii": "MM5GU9UN7K" } ] }