[
  {
    "molid": "mol11858",
    "smiles": "Oc1ccc(C=Nc2ccccc2O)c(O)c1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "[O-]c1ccc(C=Nc2ccccc2[O-])c([O-])c1",
        "std_free_energy": 11.872233390808105,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccc(C=Nc2ccccc2[O-])c(O)c1",
        "std_free_energy": 6.986499309539795,
        "relative_population": 0.14371959414487254
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[O-]c1ccc(C=[NH+]c2ccccc2[O-])c([O-])c1",
        "std_free_energy": 5.441974639892578,
        "relative_population": 0.6734332002681735
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "[O-]c1cc(O)ccc1C=Nc1ccccc1[O-]",
        "std_free_energy": 7.036156177520752,
        "relative_population": 0.13675722456053696
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.539999961853,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]