[
  {
    "molid": "mol31170",
    "smiles": "CC1=C(O)c2ccccc2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C(O)c2ccccc2C1=O",
        "std_free_energy": -3.2647318840026855,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=C([O-])c2ccccc2C1=O",
        "std_free_energy": -5.204319953918457,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]