[
  {
    "molid": "mol25502",
    "smiles": "Cc1c(O)n(-c2ccccc2)[n+](C)c1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c([O-])n(-c2ccccc2)[n+](C)c1C",
        "std_free_energy": -4.982262134552002,
        "relative_population": 0.9999275124634135
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(O)n(-c2ccccc2)[n+](C)c1C",
        "std_free_energy": 4.77670955657959,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.24,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]