[
  {
    "molid": "mol36704",
    "smiles": "O=C(O)c1ccc(Cl)cc1C(=O)Nc1ccccc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(Cl)cc1C(=O)Nc1ccccc1",
        "std_free_energy": -10.436836242675781,
        "relative_population": 0.9999833478336896
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccc(Cl)cc1C(=O)[N-]c1ccccc1",
        "std_free_energy": 4.532196044921875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8500003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]