[
  {
    "molid": "mol31580",
    "smiles": "C/C(=N\\O)c1ccccc1N=[N+]=[N-]",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]