[
  {
    "molid": "mol24839",
    "smiles": "Nc1cccc2c1C(O)(OO)N=NC2=O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cccc2c1[C@@](O)(O[O-])N=NC2=O",
        "std_free_energy": -5.392972469329834,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Nc1cccc2c1[C@@]([O-])(O[O-])N=NC2=O",
        "std_free_energy": 4.29487419128418,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]