[
  {
    "molid": "mol34970",
    "smiles": "CC1SCP(=O)(O)CS1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1SC[P@](=O)(O)CS1",
        "std_free_energy": -2.2993321418762207,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H]1SC[P@](=O)([O-])CS1",
        "std_free_energy": -11.289650917053223,
        "relative_population": 0.9999997076236531
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.60999989509583,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]