[
  {
    "molid": "mol34701",
    "smiles": "CC(=O)C=C(S)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C=C(S)Nc1ccc(Cl)cc1",
        "std_free_energy": -4.642767906188965,
        "relative_population": 0.9996470483066571
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)C=C([S-])Nc1ccc(Cl)cc1",
        "std_free_energy": -6.022444248199463,
        "relative_population": 0.9994215920518549
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.21999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]