[
  {
    "molid": "mol25547",
    "smiles": "Cc1c(C(C)C)c(O)n(-c2ccccc2)[n+]1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c(C(C)C)c([O-])n(-c2ccccc2)[n+]1C",
        "std_free_energy": -4.176382064819336,
        "relative_population": 0.999748809738877
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(C(C)C)c(O)n(-c2ccccc2)[n+]1C",
        "std_free_energy": 2.571075916290283,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]