[
  {
    "molid": "mol36728",
    "smiles": "O=C(O)c1ccccc1N=Cc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1ccccc1[NH+]=Cc1ccccc1O",
        "std_free_energy": -7.69071102142334,
        "relative_population": 0.9335419679395116
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1N=Cc1ccccc1O",
        "std_free_energy": -5.047298908233643,
        "relative_population": 0.06639181669902504
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1N=Cc1ccccc1O",
        "std_free_energy": -9.616862297058105,
        "relative_population": 0.9988375208241097
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.22999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]