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        "molfile": "\n  Marvin  01132106212D          \n\n 18 10  0  0  0  0            999 V2000\n    3.0246   -2.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7084   -2.9426    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.0399   -1.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2922   -2.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6007   -2.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2691   -3.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4858   -2.0719    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    5.6394   -3.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0246   -2.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7084   -2.9426    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.0399   -1.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2922   -2.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6007   -2.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2691   -3.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6394   -3.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6394   -3.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6394   -3.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6394   -3.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  1  0  0  0  0\n  5  4  1  0  0  0  0\n  4  6  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11  9  2  0  0  0  0\n 12  9  1  0  0  0  0\n 13 12  1  0  0  0  0\n 12 14  1  0  0  0  0\nM  CHG  3   2  -1   7   2  10  -1\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1  5   8  15  16  17  18\nM  SPA   1  1   8\nM  SDI   1  4    5.2194   -3.4523    5.2194   -2.6123\nM  SDI   1  4    6.0594   -2.6123    6.0594   -3.4523\nM  SMT   1 5\nM  SCN  1   2 HT \nM  SAL   2 12   1   2   3   4   5   6   9  10  11  12  13  14\nM  SPA   2  6   1   2   3   4   5   6\nM  SDI   2  4    1.1807   -4.1259    1.1807   -1.2703\nM  SDI   2  4    4.1284   -1.2703    4.1284   -4.1259\nM  SMT   2 2\nM  END",
        "smiles": "CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2].O.O.O.O.O",
        "formula": "2C3H5O3.Ca.5H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "308.2947",
        "optical_activity": "( + / - )",
        "references": [
          "166cbea1-21ed-40c7-80cb-c3f3b845c87e",
          "9b43e831-a381-4de9-acc7-8ec0acdd34fc"
        ],
        "stereo_centers": 2
      },
      "unii": "4FM1N296CM"
    }
  ]
}