[
  {
    "molid": "mol32135",
    "smiles": "CC(C)(C)c1cc(-c2nnc(O)o2)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(-c2nnc(O)o2)cc(C(C)(C)C)c1O",
        "std_free_energy": -4.650148868560791,
        "relative_population": 0.9999672617705527
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2nnc([O-])o2)cc(C(C)(C)C)c1O",
        "std_free_energy": -6.903774261474609,
        "relative_population": 0.9956814771420934
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]