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        "molfile": "\n  Marvin  01132112122D          \n\n 32 33  0  0  1  0            999 V2000\n    9.8042   -2.4789    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    6.2386   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2386   -1.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5412   -0.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8113   -1.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8113   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5412   -2.4788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5412   -3.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2525   -3.7259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.2525   -4.5527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.9730   -4.9546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.9730   -5.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6934   -6.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5156   -6.1786    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3378   -6.1786    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.5156   -5.3564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5156   -7.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6934   -4.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5412   -4.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9637   -3.3195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1001   -2.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3841   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3841   -1.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6729   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1001   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6729   -2.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9591   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9591   -0.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6749   -1.2411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6749   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9591   -2.4788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3909   -2.4789    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  4  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  2  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  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 17 14  1  0  0  0  0\n 11 18  1  6  0  0  0\n 10 19  1  1  0  0  0\n  9 20  1  6  0  0  0\n 21  6  1  0  0  0  0\n 22 21  2  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  1  0  0  0  0\n 23 25  2  0  0  0  0\n 25  5  1  0  0  0  0\n 26 22  1  0  0  0  0\n 27  3  1  0  0  0  0\n 28 27  2  0  0  0  0\n 27 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31  2  2  0  0  0  0\n 32 30  2  0  0  0  0\nM  CHG  2   1   1  15  -1\nM  END",
        "smiles": "Cc1cc2c(cc1C)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O)c3-c(c(=O)[nH]c(=O)n3)n2.[Na+]",
        "formula": "C17H20N4O9P.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 3,
        "ez_centers": 0,
        "molecular_weight": "478.3263",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "79a26832-cad5-417f-b51b-39e422e394f2",
          "4cfcae1d-41c4-4c80-9949-8690dc77b235"
        ],
        "stereo_centers": 3
      },
      "unii": "957E53WV42"
    }
  ]
}