[
  {
    "molid": "mol34122",
    "smiles": "O=C(O)c1ccc(N=Nc2ccc(O)cc2)cc1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(N=Nc2ccc(O)cc2)cc1Cl",
        "std_free_energy": -2.820214033126831,
        "relative_population": 0.9979364405205797
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(N=Nc2ccc(O)cc2)cc1Cl",
        "std_free_energy": -10.802597999572754,
        "relative_population": 0.999541257625368
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.57999992370605,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]