[
  {
    "molid": "mol9683",
    "smiles": "Cn1cc2[nH]c(=O)nc-2[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc2[nH]c(=O)nc-2[nH]c1=O",
        "std_free_energy": -5.688874244689941,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1cc2[nH]c(=O)nc-2[n-]c1=O",
        "std_free_energy": -3.0451300144195557,
        "relative_population": 0.4982429815135197
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1cc2[n-]c(=O)nc-2[nH]c1=O",
        "std_free_energy": -3.0521581172943115,
        "relative_population": 0.5017570184864802
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]