[
  {
    "molid": "mol915",
    "smiles": "O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1",
        "std_free_energy": -1.8334259986877441,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1",
        "std_free_energy": -10.954678535461426,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
      {
        "pka_value": 2.8199999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]