[
  {
    "molid": "mol34819",
    "smiles": "CC(O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -6.249899864196777,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": 4.470383644104004,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.54999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]