[
  {
    "molid": "mol4820",
    "smiles": "Cc1nc2ncncc2nc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2ncncc2nc1O",
        "std_free_energy": -6.909162521362305,
        "relative_population": 0.9999856022918239
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2ncncc2nc1[O-]",
        "std_free_energy": -3.1448538303375244,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]