[
  {
    "molid": "mol36373",
    "smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F",
        "std_free_energy": -10.171121597290039,
        "relative_population": 0.9934846127517702
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc([N+](=O)[O-])ccc1[N-]C(=O)C(F)(F)F",
        "std_free_energy": -2.383857488632202,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]