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          "molfile": "\n  Marvin  01132105072D          \n\n 21 22  0  0  1  0            999 V2000\n    8.7403   -6.6096    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n    8.1107   -6.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2857   -6.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4560   -6.0652    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6310   -6.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4560   -6.8902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4560   -5.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5294   -6.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3143   -6.6087    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n   10.3143   -5.4372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6145   -5.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6145   -4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3214   -3.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3214   -2.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0402   -4.1987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0402   -5.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7436   -5.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0077   -7.2077    0.0000 C   0  0  2  0  0  0  0  0  0  1  0  0\n   10.3323   -7.9701    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0361   -7.2077    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n    8.7114   -7.9701    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  1  0  0  0\n  1  8  1  0  0  0  0\n 20  1  1  0  0  0  0\n  2  3  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  2  0  0  0  0\n  9  8  1  6  0  0  0\n  9 10  1  0  0  0  0\n 18  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 10 16  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n 13 14  2  0  0  0  0\n 15 13  1  0  0  0  0\n 16 15  1  0  0  0  0\n 16 17  2  0  0  0  0\n 18 19  1  6  0  0  0\n 18 20  1  0  0  0  0\n 20 21  1  6  0  0  0\nM  CHG  2  19  -1  21  -1\nM  END",
          "smiles": "c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O2)[O-])[O-])c(=O)[nH]c1=O",
          "formula": "C9H11N2O9P",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "e63d78f9-9aa4-4c15-9fdd-6f190a4be82b"
          },
          "defined_stereo": 4,
          "ez_centers": 0,
          "molecular_weight": "322.1658",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 4
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "b5660f8c-c665-429c-8c5a-5fc1661e1974",
      "version": "18",
      "structure": {
        "id": "bf0424d1-f777-4685-8b2a-fa01a6f32213",
        "molfile": "\n  Marvin  01132109522D          \n\n 23 22  0  0  1  0            999 V2000\n   10.3323   -7.9701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0077   -7.2077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.3143   -6.6087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.5294   -6.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7403   -6.6096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.1107   -6.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2857   -6.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4560   -6.0652    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6310   -6.0652    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.4560   -5.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4560   -6.8902    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0361   -7.2077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.7114   -7.9701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3143   -5.4372    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0\n    9.6145   -5.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6145   -4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3214   -3.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0402   -4.1987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0402   -5.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7436   -5.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3214   -2.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7478   -6.0567    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    3.7478   -6.0567    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  3  2  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  1  0  0  0\n  6  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n  8 10  2  0  0  0  0\n  8 11  1  0  0  0  0\n  5 12  1  0  0  0  0\n  2 12  1  0  0  0  0\n 12 13  1  6  0  0  0\n  3 14  1  1  0  0  0\n 15 14  1  0  0  0  0\n 16 15  2  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 19 20  2  0  0  0  0\n 14 19  1  0  0  0  0\n 17 21  2  0  0  0  0\n  2  1  1  6  0  0  0\nM  CHG  4   9  -1  11  -1  22   1  23   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  22  23\nM  SPA   1  1  22\nM  SDI   1  4    3.3278   -6.4767    3.3278   -5.6367\nM  SDI   1  4    4.1678   -5.6367    4.1678   -6.4767\nM  SMT   1 2\nM  END",
        "smiles": "c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O2)O)O)c(=O)[nH]c1=O.[Na+].[Na+]",
        "formula": "C9H11N2O9P.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "368.1453",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "92f48405-7778-48e0-b8e0-0aa59f52a84a",
          "b9bfabe4-386a-4185-b832-7185e8ac4e0b"
        ],
        "stereo_centers": 4
      },
      "unii": "KD8E20071T"
    }
  ]
}