[
  {
    "molid": "mol38569",
    "smiles": "OCC(O)C(O)C(O)C(O)CS",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CS",
        "std_free_energy": -6.886382579803467,
        "relative_population": 0.9983222166619853
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S-]",
        "std_free_energy": -1.402713418006897,
        "relative_population": 0.9987987328101772
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]