[
  {
    "molid": "mol35352",
    "smiles": "Cc1cc(Cl)ccc1[S+]([O-])CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cl)ccc1[S@@+](O)CC(=O)[O-]",
        "std_free_energy": -5.234935760498047,
        "relative_population": 0.9533280427015833
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(Cl)ccc1[S@@+]([O-])CC(=O)[O-]",
        "std_free_energy": -11.374841690063477,
        "relative_population": 0.999996134772764
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8199999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]