[
  {
    "molid": "mol12389",
    "smiles": "C[n+]1ccncc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccncc1[O-]",
        "std_free_energy": -7.205986976623535,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cc[nH+]cc1[O-]",
        "std_free_energy": 10.220627784729004,
        "relative_population": 0.08784265707073184
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1ccncc1O",
        "std_free_energy": 7.880362510681152,
        "relative_population": 0.9121573429292682
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": -0.039999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]