[
  {
    "molid": "mol31640",
    "smiles": "O=[N+]([O-])c1ccc(O)c(/C(=N/O)c2ccccc2)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(O)c(/C(=N/O)c2ccccc2)c1",
        "std_free_energy": -5.342232704162598,
        "relative_population": 0.9999608165642518
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc([O-])c(/C(=N/O)c2ccccc2)c1",
        "std_free_energy": -4.380214214324951,
        "relative_population": 0.9762067838792157
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]