[
  {
    "molid": "mol9406",
    "smiles": "O/N=C1/CCC/C1=N/O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]/N=C1/CCC/C1=N/O",
        "std_free_energy": -0.6984462738037109,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]/N=C1/CCC/C1=N/[O-]",
        "std_free_energy": 16.221393585205078,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.71,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]