[
  {
    "molid": "mol35913",
    "smiles": "Cc1ccccc1/N=N/C(O)=NNc1ccccc1C",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccccc1/N=N/C(O)=N/Nc1ccccc1C",
        "std_free_energy": -4.927321910858154,
        "relative_population": 0.9999244733624727
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccccc1/N=N/C([O-])=N/Nc1ccccc1C",
        "std_free_energy": -3.9709811210632324,
        "relative_population": 0.5239221656310886
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccccc1/N=N/C(O)=N/[N-]c1ccccc1C",
        "std_free_energy": -3.8752193450927734,
        "relative_population": 0.4760778343689113
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.60000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]