[
  {
    "molid": "mol33095",
    "smiles": "O=C1C=C(O)C([N+](=O)[O-])O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=C(O)[C@@H]([N+](=O)[O-])O1",
        "std_free_energy": -0.08387000858783722,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C=C([O-])[C@@H]([N+](=O)[O-])O1",
        "std_free_energy": -9.272201538085938,
        "relative_population": 0.9597666424369262
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.67999994754791,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]