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        "molfile": "\n  Marvin  01132104162D          \n\n 37 34  0  0  0  0            999 V2000\n    6.4685   -0.2888    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    4.2484   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5340   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8194   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1051   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3906   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6761   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0383   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7528   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4673   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1818   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8961   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6107   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3251   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0395   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7540   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4685   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2484    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9629   -0.6187    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2484   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5340   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8194   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1051   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3906   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6761   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0383   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7528   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4673   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1818   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8961   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6107   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3251   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0395   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7540   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4685   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2484    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9629   -0.6187    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 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  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n  2 18  2  0  0  0  0\n  2 19  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 36  2  0  0  0  0\n 20 37  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\nM  CHG  3   1   2  19  -1  37  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SAL   1 15  17  18  19  20  21  22  23  24  25  26  27  28  29  30  31\nM  SAL   1  6  32  33  34  35  36  37\nM  SPA   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SPA   1  3  17  18  19\nM  SDI   1  4   -6.8885   -1.0387   -6.8885    1.0387\nM  SDI   1  4    5.3829    1.0387    5.3829   -1.0387\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]",
        "formula": "2C16H31O2.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "550.9115",
        "optical_activity": "NONE",
        "references": [
          "fd639b5a-0cc0-4acd-a328-e77d3947760f",
          "e2852efe-8d1c-41ee-a7bf-7f1baf51a903"
        ],
        "stereo_centers": 0
      },
      "unii": "5792C4VMFZ"
    }
  ]
}