[
  {
    "molid": "mol34252",
    "smiles": "COC(=O)[C@@H]1CSCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)[C@@H]1CSCN1",
        "std_free_energy": -7.11953592300415,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC(=O)[C@@H]1CSC[NH2+]1",
        "std_free_energy": -0.47539007663726807,
        "relative_population": 0.9804470787613775
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.83999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]