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          "molfile": "\n  Marvin  01132104202D          \n\n 13 13  0  0  0  0            999 V2000\n    9.3656   -7.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6457   -7.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6534   -8.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9202   -7.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2180   -7.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4981   -7.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4929   -6.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7726   -5.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0630   -6.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3503   -5.9912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    5.0707   -7.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7957   -7.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7829   -8.4528    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n 12  6  2  0  0  0  0\n  8  7  2  0  0  0  0\n  8  9  1  0  0  0  0\n 10  9  1  0  0  0  0\n  9 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 13 12  1  0  0  0  0\nM  END",
          "smiles": "c1cc(c(cc1Cl)Cl)OCC(=O)O",
          "formula": "C8H6Cl2O3",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "3582d2dc-914a-4949-8c65-6ba2f1624200"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "221.0376",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "44d93691-dda6-48f8-bb76-791675ecbe24",
      "version": "6",
      "structure": {
        "id": "aed6fa7a-2199-41d4-81a2-a6cb9ee0194a",
        "molfile": "\n  Marvin  01132109042D          \n\n 16 15  0  0  0  0            999 V2000\n   11.5105   -7.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7968   -7.7243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7917   -8.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6609   -7.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3823   -7.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6686   -8.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9343   -7.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2310   -7.6329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5096   -7.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8062   -7.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0797   -7.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0719   -6.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3582   -6.0020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    5.7830   -5.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5044   -6.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7933   -8.4677    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  4  2  0  0  0  0\n  7  4  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n 14 12  1  0  0  0  0\n 15  9  1  0  0  0  0\n 14 15  2  0  0  0  0\n 16 10  1  0  0  0  0\nM  END",
        "smiles": "c1cc(c(cc1Cl)Cl)OCC(=O)O.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": [
          "5d8c95dc-366f-47ad-8533-afd5a857d683",
          "538efa7c-6297-495c-91e0-fa0192cb13f9"
        ],
        "stereo_centers": 0
      },
      "unii": "S35W73275K"
    }
  ]
}