[
  {
    "molid": "mol37347",
    "smiles": "O=C1N[C](O)C=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O",
    "microspecies": [
      {
        "id": "-5_2",
        "charge": -5,
        "smiles": "O=C1[N-][C](O)C=CN1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O",
        "std_free_energy": -1.6830962896347046,
        "relative_population": 0.9811304222660157
      },
      {
        "id": "-4_4",
        "charge": -4,
        "smiles": "O=C1N[C](O)C=CN1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O",
        "std_free_energy": -11.783173561096191,
        "relative_population": 0.9994111975940411
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": -4,
        "charge_state_post": -5,
        "data_source": "QSARToolbox"
      }
    ]
  }
]