[
  {
    "molid": "mol29921",
    "smiles": "COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1",
        "std_free_energy": -6.4839372634887695,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(-c2nc(C(F)(F)F)[n-]c2-c2ccc(OC)cc2)cc1",
        "std_free_energy": -1.4197381734848022,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]