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0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\n 15 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 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 19 24 2 0 0 0 0\n 22 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 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 27 32 2 0 0 0 0\n 25 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 18 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 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 35 40 2 0 0 0 0\n 38 41 1 0 0 0 0\n 41 42 2 0 0 0 0\n 41 43 2 0 0 0 0\n 41 44 1 0 0 0 0\n 36 45 1 0 0 0 0\n 45 46 2 0 0 0 0\n 45 47 2 0 0 0 0\n 45 48 1 0 0 0 0\nM CHG 4 1 1 9 1 44 -1 48 -1\nM END", "smiles": "CC/[N+](=C/1C=C/C(=C(/c2ccc(cc2)N(CC)Cc3ccccc3)\\c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1)/Cc5ccccc5.[Na+]", "formula": "C37H35N2O6S2.Na", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "690.8069", "optical_activity": "NONE", "references": [ "e1a04a7e-62d1-4170-8305-7c3a97246ac5", "bd8b490d-95a9-4eb0-a2d0-4308384e1ea4" ], "stereo_centers": 0 }, "unii": "014OZV4W1O" } ] }