[
  {
    "molid": "mol36375",
    "smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccccc1",
        "std_free_energy": -0.4908077120780945,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccccc1",
        "std_free_energy": -11.74555778503418,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.14000010490417,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]