[
  {
    "molid": "mol35051",
    "smiles": "CC(C)(SCCC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(SCCC(=O)O)C(=O)O",
        "std_free_energy": -1.3845915794372559,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(SCCC(=O)O)C(=O)[O-]",
        "std_free_energy": -9.070204734802246,
        "relative_population": 0.766382613598194
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(SCCC(=O)[O-])C(=O)O",
        "std_free_energy": -7.882207870483398,
        "relative_population": 0.233617386401806
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.89000010490417,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]