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          "uuid": "ff8f7104-8116-4541-80d6-e2df7936966c",
          "id": "ff8f7104-8116-4541-80d6-e2df7936966c",
          "molfile": "\n  Marvin  01132113142D          \n\n 23 25  0  0  1  0            999 V2000\n   16.2050  -11.6878    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n   15.5123  -11.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7309  -11.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9685  -11.9213    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2365  -11.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5993  -12.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5332  -12.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8674  -11.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5325  -11.6925    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n   17.9958   -9.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9958   -9.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3865   -8.6606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7822   -9.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0368   -8.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0368   -7.8045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2764   -9.1190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2764   -9.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0368  -10.4233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7822   -9.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2972  -12.4621    0.0000 C   0  0  2  0  0  0  0  0  0  1  0  0\n   17.9198  -13.0954    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   16.4726  -12.4621    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n   15.9876  -13.1191    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 22  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  6  4  1  0  0  0  0\n  7  4  2  0  0  0  0\n  9  8  1  6  0  0  0\n  9 10  1  0  0  0  0\n 20  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 19 10  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 13 19  2  0  0  0  0\n 15 14  1  0  0  0  0\n 14 16  2  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 20 21  1  6  0  0  0\n 22 20  1  0  0  0  0\n 22 23  1  6  0  0  0\nM  CHG  2  21  -1  23  -1\nM  END",
          "smiles": "C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc32)O1)[O-])[O-])OP(=O)(O)O",
          "formula": "C10H12N5O7P",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "c1ec3d55-3b4e-4367-927d-5acd9748bd91"
          },
          "defined_stereo": 4,
          "ez_centers": 0,
          "molecular_weight": "345.2058",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 4
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "c267fdc5-befd-424b-b846-75efc3483f19",
      "version": "11",
      "structure": {
        "id": "692ab7b9-9082-4da7-8596-1d77d03dfd0d",
        "molfile": "\n  Marvin  01132105282D          \n\n 25 25  0  0  1  0            999 V2000\n    9.8961  -10.2362    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   13.2365  -11.3425    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   13.9685  -11.9213    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7309  -11.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5332  -12.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5993  -12.6353    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   17.9958   -9.9902    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0\n   17.5325  -11.6925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   16.7822   -9.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7822   -9.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3865   -8.6606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9958   -9.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0368   -8.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0368  -10.4233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2764   -9.1190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2764   -9.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0368   -7.8045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9198  -13.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9876  -13.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8674  -11.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2972  -12.4621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   16.4726  -12.4621    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   16.2050  -11.6878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   15.5123  -11.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8961  -10.2362    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n 12  7  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10  9  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 20  8  1  0  0  0  0\n  8 21  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n 23 20  1  0  0  0  0\n 14  9  1  0  0  0  0\n 13 10  1  0  0  0  0\n 13 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 14  2  0  0  0  0\n 17 13  1  0  0  0  0\n  6  3  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  5  3  2  0  0  0  0\n  8  7  1  1  0  0  0\n 23 24  1  1  0  0  0\n 24  4  1  0  0  0  0\n 21 18  1  6  0  0  0\n 22 19  1  6  0  0  0\nM  CHG  4   1   1   2  -1   6  -1  25   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2   1  25\nM  SPA   1  1   1\nM  SDI   1  4    9.4761  -10.6562    9.4761   -9.8162\nM  SDI   1  4   10.3161   -9.8162   10.3161  -10.6562\nM  SMT   1 2\nM  END",
        "smiles": "C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc32)O1)O)O)OP(=O)([O-])[O-].[Na+].[Na+]",
        "formula": "C10H12N5O7P.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "391.1853",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "b0eb6d51-38b1-44f1-9331-30317f2b031f",
          "846d5252-e6e0-462c-88e3-d5d0c8bfdc5d"
        ],
        "stereo_centers": 4
      },
      "unii": "T1WZ11DSRN"
    }
  ]
}