[
  {
    "molid": "mol34889",
    "smiles": "CC(SC(C)(SC(C)C(=O)O)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](S[C@](C)(S[C@H](C)C(=O)O)C(=O)O)C(=O)O",
        "std_free_energy": 0.5801078081130981,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](S[C@](C)(S[C@H](C)C(=O)O)C(=O)O)C(=O)[O-]",
        "std_free_energy": -6.695648670196533,
        "relative_population": 0.5579217505395926
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](S[C@](C)(S[C@H](C)C(=O)O)C(=O)[O-])C(=O)O",
        "std_free_energy": -6.462916851043701,
        "relative_population": 0.44207824946040736
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]