[
  {
    "molid": "mol34298",
    "smiles": "O=C(O)CSC(SCC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CSC(SCC(=O)O)C(=O)O",
        "std_free_energy": 1.560591697692871,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CSC(SCC(=O)O)C(=O)O",
        "std_free_energy": -5.724401950836182,
        "relative_population": 0.29545300286931436
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)CSC(SCC(=O)O)C(=O)[O-]",
        "std_free_energy": -6.593447208404541,
        "relative_population": 0.7045469971306857
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.47000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]