[
  {
    "molid": "mol31577",
    "smiles": "ON=C1/C(=N/O)CCC/C1=N\\O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "[O-]N=C1/C(=N/[O-])CCC/C1=N\\[O-]",
        "std_free_energy": 18.08957290649414,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]/N=C1\\CCC/C(=N\\[O-])C1=NO",
        "std_free_energy": 5.353399276733398,
        "relative_population": 0.6414628342043059
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]N=C1/C(=N/[O-])CCC/C1=N\\O",
        "std_free_energy": 5.935118198394775,
        "relative_population": 0.35853716579569406
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]