[
  {
    "molid": "mol37385",
    "smiles": "O=C1C(Cl)=CC(=Nc2cc(S(=O)(=O)O)c(O)c3ccccc23)C=C1Cl",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C(Cl)=CC(=Nc2cc(S(=O)(=O)[O-])c(O)c3ccccc23)C=C1Cl",
        "std_free_energy": -9.58115005493164,
        "relative_population": 0.993436299050583
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C(Cl)=CC(=Nc2cc(S(=O)(=O)[O-])c([O-])c3ccccc23)C=C1Cl",
        "std_free_energy": -3.906364679336548,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.1399998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]