[
  {
    "molid": "mol30676",
    "smiles": "COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O",
        "std_free_energy": -1.1166071891784668,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]",
        "std_free_energy": -7.3602800369262695,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.38000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]