[
  {
    "molid": "mol30585",
    "smiles": "Oc1ccc(-c2cccnc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(-c2cccnc2)cc1",
        "std_free_energy": -5.4616594314575195,
        "relative_population": 0.9971847767071562
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(-c2cccnc2)cc1",
        "std_free_energy": 0.8557711839675903,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]