[
  {
    "molid": "mol34925",
    "smiles": "CC1(C)SCP(=O)(O)CS1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)SCP(=O)(O)CS1",
        "std_free_energy": -2.2817869186401367,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)SCP(=O)([O-])CS1",
        "std_free_energy": -11.137553215026855,
        "relative_population": 0.999999672074731
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.71000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]