[
  {
    "molid": "mol36444",
    "smiles": "CN(O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1",
        "std_free_energy": -5.534319877624512,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN([O-])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1",
        "std_free_energy": -2.9139981269836426,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.78000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]