[
  {
    "molid": "mol15742",
    "smiles": "Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c([N+](=O)[O-])ccc([O-])c2[nH+]1",
        "std_free_energy": -4.296231269836426,
        "relative_population": 0.4533177419076806
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1",
        "std_free_energy": -4.483505725860596,
        "relative_population": 0.5466822580923194
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc2c([N+](=O)[O-])ccc([O-])c2n1",
        "std_free_energy": -4.086381912231445,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.7800002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]