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        "molfile": "\n  Marvin  01132107532D          \n\n 19 18  0  0  1  0            999 V2000\n    8.6345   -3.4501    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    5.0569   -3.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3459   -3.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6258   -3.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5693   -4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2939   -4.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6631   -3.7054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.4652   -3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7431   -2.7801    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.9711   -4.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0569   -3.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3459   -3.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6258   -3.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5693   -4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2939   -4.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6631   -3.7054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.4652   -3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7431   -2.7801    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.9711   -4.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  3  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  6  0  0  0\n  9  8  1  0  0  0  0\n 10  8  2  0  0  0  0\n  7  2  1  0  0  0  0\n 12 11  1  0  0  0  0\n 16 11  1  0  0  0  0\n 13 12  2  0  0  0  0\n 14 12  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  6  0  0  0\n 18 17  1  0  0  0  0\n 19 17  2  0  0  0  0\nM  CHG  3   1   2   9  -1  18  -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  3  17  18  19\nM  SPA   1  9   2   3   4   5   6   7   8   9  10\nM  SDI   1  4    3.2058   -4.8636    3.2058   -2.3601\nM  SDI   1  4    7.3911   -2.3601    7.3911   -4.8636\nM  SMT   1 2\nM  END",
        "smiles": "C1CC(=O)N[C@@H]1C(=O)[O-].C1CC(=O)N[C@@H]1C(=O)[O-].[Ca+2]",
        "formula": "2C5H6NO3.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "296.2905",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "107247e1-1abc-45df-99f0-cd67762bdb9a",
          "d32abc57-d1cf-4127-9b6c-ec77a263f909"
        ],
        "stereo_centers": 2
      },
      "unii": "7Y2LVU5EKK"
    }
  ]
}