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        "molfile": "\n  Marvin  01132110362D          \n\n 17 16  0  0  0  0            999 V2000\n    0.0878    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6509   -0.3589    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.8004   -0.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9383    0.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2205   -0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6377   -0.3563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0878    0.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5079    0.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6458   -1.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3584    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3584   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9409    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2205    1.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6326   -1.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3426    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5079    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8516    1.2987    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n  2  4  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  8  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7  1  2  0  0  0  0\n  8  3  1  0  0  0  0\n  9  2  1  0  0  0  0\n 10  2  1  0  0  0  0\n 11  2  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 16  1  0  0  0  0\n 14  6  1  0  0  0  0\n 15  6  1  0  0  0  0\n 16  8  2  0  0  0  0\n 12  4  1  0  0  0  0\nM  CHG  2   2   1  17  -1\nM  END",
        "smiles": "CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C.[Br-]",
        "formula": "C12H19N2O2.Br",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "303.1954",
        "optical_activity": "NONE",
        "references": [
          "67c54233-d1d1-46ec-8b68-853bbdc89f91",
          "62f1ef04-4fd8-432e-8baf-a4f7b855097f",
          "312bdb67-2573-4327-ac87-10ca68157bbf"
        ],
        "stereo_centers": 0
      },
      "unii": "005SYP50G5"
    }
  ]
}