[
  {
    "molid": "mol22927",
    "smiles": "O=Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1",
        "std_free_energy": 0.7936959862709045,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Cc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1",
        "std_free_energy": -9.742477416992188,
        "relative_population": 0.9666837298549854
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=Cc1cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c1",
        "std_free_energy": -7.446020126342773,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.90999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.91,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]