[
  {
    "molid": "mol22254",
    "smiles": "O=C(O)C(/C=N/O)=N\\O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(/C=N/O)=N\\O",
        "std_free_energy": -3.3158607482910156,
        "relative_population": 0.995725954848836
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C(/C=N/O)=N\\O",
        "std_free_energy": -11.975595474243164,
        "relative_population": 0.9990502730370211
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.38,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]