[
  {
    "molid": "mol7386",
    "smiles": "Cc1cc[n+](-c2nc(O)nc(O)c2[N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc[n+](-c2nc([O-])nc(O)c2[N+](=O)[O-])cc1",
        "std_free_energy": -3.581789970397949,
        "relative_population": 0.3554331059285864
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc[n+](-c2nc(O)nc([O-])c2[N+](=O)[O-])cc1",
        "std_free_energy": -4.177031517028809,
        "relative_population": 0.6445668940714135
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc[n+](-c2nc(O)nc(O)c2[N+](=O)[O-])cc1",
        "std_free_energy": 8.999961853027344,
        "relative_population": 0.9900599498231103
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]