[
  {
    "molid": "mol34242",
    "smiles": "O=C(CS)OCCO",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(CS)OCCO",
        "std_free_energy": -5.93932580947876,
        "relative_population": 0.9963056782605149
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(C[S-])OCCO",
        "std_free_energy": -2.7402801513671875,
        "relative_population": 0.9999890144688671
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.82000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]