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          "molfile": "\n  Marvin  01132106242D          \n\n 20 19  0  0  0  0            999 V2000\n    4.0614   -0.1153    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.0599   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7647   -1.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3471   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6183   -0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9168   -1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2219   -0.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4968   -1.3451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5048   -2.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2082   -2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9155   -2.1932    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.2068   -3.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2133   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2238   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4941    0.3002    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.9307    0.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6365   -0.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9141    0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9278    1.1041    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2134   -0.1462    0.0000 O   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 17  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 13  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 10  2  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 14  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 18  2  0  0  0  0\nM  CHG  4   1  -1  11  -1  15  -1  19  -1\nM  END",
          "smiles": "C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]",
          "formula": "C10H12N2O8",
          "atropisomerism": "No",
          "charge": -4,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "5cbf2f1b-9cd6-477b-8aba-76cb9a45f05c"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "288.2113",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "f80509e9-8951-4d2d-ae96-abf4064c8f2b",
      "version": "31",
      "structure": {
        "id": "d77d8ddd-693f-4f48-89db-f364c873e012",
        "molfile": "\n  Marvin  01132111102D          \n\n 23 19  0  0  0  0            999 V2000\n    4.0599   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2082   -2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2238   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9141    0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4968   -1.3451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6183   -0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0614   -0.1153    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.9155   -2.1932    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.7647   -1.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2068   -3.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4941    0.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9278    1.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5048   -2.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3471   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6365   -0.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2133   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9168   -1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2219   -0.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2134   -0.1462    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.9307    0.2872    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.8413   -2.3261    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    3.3035   -2.3261    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    1.8413   -2.3261    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2 13  1  0  0  0  0\n  3 16  1  0  0  0  0\n  4 15  1  0  0  0  0\n  5 18  1  0  0  0  0\n  6 14  1  0  0  0  0\n  7  1  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  1  2  0  0  0  0\n 10  2  2  0  0  0  0\n 11  3  2  0  0  0  0\n 12  4  2  0  0  0  0\n 13  5  1  0  0  0  0\n 14  1  1  0  0  0  0\n 15  6  1  0  0  0  0\n 16  5  1  0  0  0  0\n 17  6  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19  4  1  0  0  0  0\n 20  3  1  0  0  0  0\nM  CHG  7   7  -1   8  -1  19  -1  20  -1  21   1  22   2  23   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  21  23\nM  SPA   1  1  21\nM  SDI   1  4    1.4213   -2.7461    1.4213   -1.9061\nM  SDI   1  4    2.2613   -1.9061    2.2613   -2.7461\nM  SMT   1 2\nM  END",
        "smiles": "C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]",
        "formula": "C10H12N2O8.Ca.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "374.2689",
        "optical_activity": "NONE",
        "references": [
          "aaf04e8b-6047-4539-a9b7-e4db16d57438",
          "2519d7ca-562e-4ac1-b254-5a8d9ef9af6f",
          "ee72d685-da4d-4a7e-8c54-ac2352927448"
        ],
        "stereo_centers": 0
      },
      "unii": "8U5D034955"
    }
  ]
}