[
  {
    "molid": "mol11021",
    "smiles": "Cc1nc2c([nH]c1=O)c(=O)n(C)c(=O)n2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2c([nH]c1=O)c(=O)n(C)c(=O)n2C",
        "std_free_energy": -5.548260688781738,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2c([n-]c1=O)c(=O)n(C)c(=O)n2C",
        "std_free_energy": -3.6726841926574707,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]