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        "molfile": "\n  Marvin  01132104042D          \n\n 16 15  0  0  0  0            999 V2000\n    7.5286   -5.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2954   -5.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2954   -6.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5286   -6.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7667   -6.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7667   -5.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0896   -5.2873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    8.9079   -6.8490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    8.8782   -5.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8782   -4.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5286   -4.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7667   -4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2136   -4.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4268   -3.8278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8489   -3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6489   -3.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  2  0  0  0  0\n  6  7  1  0  0  0  0\n  1  6  1  0  0  0  0\n  3  8  1  0  0  0  0\n  2  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  1 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  2  0  0  0  0\n  1  2  2  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  1  0  0  0  0\nM  END",
        "smiles": "COc1c(ccc(c1C(=O)O)Cl)Cl.CNC",
        "formula": "C8H6Cl2O3.C2H7N",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "266.1214",
        "optical_activity": "NONE",
        "references": [
          "181d3365-7fee-4743-bedd-5b13834a4b28",
          "860df99c-0de6-4020-b6b4-4948384b83d6"
        ],
        "stereo_centers": 0
      },
      "unii": "123F051HEM"
    }
  ]
}