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      "structure": {
        "id": "d46775d8-e33d-4aa2-9f75-399719d7eb6a",
        "molfile": "\n  Marvin  01132111002D          \n\n 28 30  0  0  0  0            999 V2000\n    6.0447   -5.1433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6322   -5.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6322   -4.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0447   -3.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8697   -3.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2822   -2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8697   -2.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0447   -2.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6322   -2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8071   -2.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1524   -2.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1888   -2.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7038   -2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9588   -3.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4068   -4.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5998   -4.0059    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    2.6618   -4.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4687   -5.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0554   -4.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7659   -3.7359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9193   -2.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9193   -1.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2518   -1.2148    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    2.7038   -1.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4956   -1.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6322   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1072   -2.9998    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.8071   -4.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  2  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  2  0  0  0  0\n 15 16  1  0  0  0  0\n 17 15  1  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  2  0  0  0  0\n 14 20  1  0  0  0  0\n 13 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 22 24  1  0  0  0  0\n 24 12  2  0  0  0  0\n 11 25  2  0  0  0  0\n  4  9  1  0  0  0  0\n  8 26  1  0  0  0  0\n  6 27  1  0  0  0  0\n  3 28  2  0  0  0  0\nM  END",
        "smiles": "Cc1cc(cc(c1NC(=O)c2cc(Br)nn2-c3c(cccn3)Cl)C(=O)NC)Cl",
        "formula": "C18H14BrCl2N5O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "483.1461",
        "optical_activity": "NONE",
        "references": [
          "8ab06909-6604-4b54-bcae-81ab72a03e11",
          "7cc09347-0dcd-4a6e-b8ff-e91a5625975e"
        ],
        "stereo_centers": 0
      },
      "unii": "622AK9DH9G"
    }
  ]
}