[
  {
    "molid": "mol10197",
    "smiles": "Cn1c(=O)[nH]c(=O)c2c1[nH]c(=O)n2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)[nH]c(=O)c2c1[nH]c(=O)n2C",
        "std_free_energy": -5.24971342086792,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)[nH]c(=O)c2c1[n-]c(=O)n2C",
        "std_free_energy": -5.625277042388916,
        "relative_population": 0.9516722858280088
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]