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        "molfile": "\n  Marvin  01132105132D          \n\n 27 29  0  0  0  0            999 V2000\n    6.6075   -4.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3503   -3.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0977   -2.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6493   -2.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5660   -3.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1346   -3.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3249   -4.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0559   -5.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3085   -5.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0929   -6.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0929   -6.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3085   -7.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8261   -6.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4140   -5.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5854   -5.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1734   -6.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5854   -7.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4140   -7.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7621   -7.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7621   -5.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5171   -6.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1817   -5.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0961   -4.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3412   -4.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6766   -4.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7653   -4.2201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    8.6026   -6.8279    0.0000 Cl  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  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\n  1  7  2  0  0  0  0\n  1  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n 10  9  2  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  9 13  1  0  0  0  0\n 13 14  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 13 18  1  0  0  0  0\n 11 19  2  0  0  0  0\n 10 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 20 25  2  0  0  0  0\n 23 26  1  0  0  0  0\n 21 27  1  0  0  0  0\nM  END",
        "smiles": "CCC(C)(C)C(=O)OC1=C(c2ccc(cc2Cl)Cl)C(=O)OC31CCCCC3",
        "formula": "C21H24Cl2O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "411.3195",
        "optical_activity": "NONE",
        "references": [
          "954ec029-b016-4dfb-82fe-951d9e2b685b",
          "19cc6061-49d3-4b04-b960-a3eca56c5757"
        ],
        "stereo_centers": 0
      },
      "unii": "3X7G31F5MX"
    }
  ]
}