[
  {
    "molid": "mol10113",
    "smiles": "Cn1cc(O)nc2c(=O)ncnc1-2",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cn1cc(O)nc2c(=O)ncnc1-2",
        "std_free_energy": -5.829840660095215,
        "relative_population": 0.9999874100854512
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1cc([O-])nc2c(=O)ncnc1-2",
        "std_free_energy": -3.9049572944641113,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]