[
  {
    "molid": "mol34969",
    "smiles": "CC1OP(=S)(S)OC1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1OP(=S)(S)O[C@H]1C",
        "std_free_energy": -2.4950833320617676,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.65000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]