[
  {
    "molid": "mol25616",
    "smiles": "Cc1nn(-c2ccccc2)c(O)c1C(=O)c1ccc(F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nn(-c2ccccc2)c(O)c1C(=O)c1ccc(F)cc1",
        "std_free_energy": -7.009341716766357,
        "relative_population": 0.9999999538503758
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(F)cc1",
        "std_free_energy": 2.537484645843506,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.83,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]