[
  {
    "molid": "mol10664",
    "smiles": "Cn1c(=O)n(C)c2c1c(=O)[nH]c(=O)n2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)n(C)c2c1c(=O)[nH]c(=O)n2C",
        "std_free_energy": -6.579862117767334,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)n(C)c2c1c(=O)[n-]c(=O)n2C",
        "std_free_energy": -0.6010947227478027,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]