[
  {
    "molid": "mol26197",
    "smiles": "C[n+]1cnc2c(O)cccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1cnc2c([O-])cccc2c1",
        "std_free_energy": -3.3807177543640137,
        "relative_population": 0.9991962524706629
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1cnc2c(O)cccc2c1",
        "std_free_energy": -0.682437002658844,
        "relative_population": 0.998655683985134
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.26000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.26,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]