[
  {
    "molid": "mol9667",
    "smiles": "Cn1[nH]cc2c(=O)ncnc1-2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1[nH]cc2c(=O)ncnc1-2",
        "std_free_energy": -7.049631118774414,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1[n-]cc2c(=O)ncnc1-2",
        "std_free_energy": -0.3214963972568512,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]