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          "molfile": "\n  Marvin  01132108292D          \n\n 22 23  0  0  0  0            999 V2000\n   11.4527   -1.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7385   -1.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0217   -1.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2869   -1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5882   -1.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8663   -1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1573   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4353   -1.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7367   -1.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0148   -1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3032   -1.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5812   -1.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8593   -1.2679    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    2.8826   -0.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1607   -0.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4387   -0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7323    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0104   -0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7090   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4387   -1.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1529   -1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 14 13  1  0  0  0  0\n 22 13  2  0  0  0  0\n 15 14  2  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 21 16  2  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\nM  CHG  1  13   1\nM  END",
          "smiles": "CCCCCCCCCCCC[n+]1ccc2ccccc2c1",
          "formula": "C21H32N",
          "atropisomerism": "No",
          "charge": 1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "729384fb-2bb0-4556-93b6-9319de29c93e"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "298.4863",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "94d6aaf0-97de-4491-a542-87d01e27c2cf",
      "version": "9",
      "structure": {
        "id": "1fdbbe41-f3e1-4ae3-b8da-3ed96515153a",
        "molfile": "\n  Marvin  01132101492D          \n\n 23 23  0  0  0  0            999 V2000\n    2.8593   -1.2679    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    2.1529   -1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4387   -1.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8826   -0.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4387   -0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1607   -0.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5812   -1.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7090   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7323    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3032   -1.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7385   -1.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0217   -1.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0148   -1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2869   -1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5882   -1.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8663   -1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1573   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4353   -1.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7367   -1.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4527   -1.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0104   -0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8673   -0.0414    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  1  2  0  0  0  0\n  5  6  2  0  0  0  0\n  6  4  1  0  0  0  0\n  7  1  1  0  0  0  0\n  8  3  1  0  0  0  0\n  9  5  1  0  0  0  0\n 10  7  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 14  1  0  0  0  0\n 13 10  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 13  1  0  0  0  0\n 20 11  1  0  0  0  0\n 21  8  2  0  0  0  0\n 22  9  2  0  0  0  0\n  3  5  1  0  0  0  0\n 21 22  1  0  0  0  0\nM  CHG  2   1   1  23  -1\nM  END",
        "smiles": "CCCCCCCCCCCC[n+]1ccc2ccccc2c1.[Br-]",
        "formula": "C21H32N.Br",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "378.3898",
        "optical_activity": "NONE",
        "references": [
          "8cf7bd1a-f9ec-4060-bb54-2205815b4655",
          "b522bfd2-a785-40ca-a0bb-2edfaf5c0494"
        ],
        "stereo_centers": 0
      },
      "unii": "09TM5K0O34"
    }
  ]
}