[
  {
    "molid": "mol27214",
    "smiles": "Cc1cc(F)cc(C)c1C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(F)cc(C)c1C(N)=O",
        "std_free_energy": -7.123536109924316,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(F)cc(C)c1C(N)=[OH+]",
        "std_free_energy": 9.952190399169922,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.78,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]