[
  {
    "molid": "mol9684",
    "smiles": "Cn1c2nc(=O)[nH]c-2c[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c2nc(=O)[nH]c-2c[nH]c1=O",
        "std_free_energy": -5.887396812438965,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c2nc(=O)[nH]c-2c[n-]c1=O",
        "std_free_energy": -1.096197247505188,
        "relative_population": 0.36710873598392546
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1c2nc(=O)[n-]c-2c[nH]c1=O",
        "std_free_energy": -1.6408377885818481,
        "relative_population": 0.6328912640160744
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]