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        "molfile": "\n  Marvin  01132100342D          \n\n 16 16  0  0  0  0            999 V2000\n    6.1816   -4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8966   -4.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8966   -3.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1816   -3.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4668   -3.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4668   -4.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6068   -3.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3218   -2.7440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3634   -3.4958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5096   -2.2257    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6068   -4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6068   -5.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3218   -6.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3218   -6.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3218   -7.6911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3218   -4.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  1  6  2  0  0  0  0\n  3  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  3  0  0  0  0\n 11 16  2  0  0  0  0\nM  END",
        "smiles": "c1cncc(c1C(F)(F)F)C(=O)NCC#N",
        "formula": "C9H6F3N3O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "229.159",
        "optical_activity": "NONE",
        "references": [
          "a911bf1a-ed9a-4698-a4ee-766e37f1ce34",
          "f2e8f394-e76f-4fc3-9669-d870ce5286e6"
        ],
        "stereo_centers": 0
      },
      "unii": "9500W2Z53J"
    }
  ]
}