[
  {
    "molid": "mol7885",
    "smiles": "O=[N+]([O-])c1cccc2c1N=CNC2O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cccc2c1N=CN[C@H]2O",
        "std_free_energy": -6.9857635498046875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1cccc2c1[NH+]=CN[C@H]2O",
        "std_free_energy": 0.21492445468902588,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]