[
  {
    "molid": "mol34757",
    "smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -3.1142144203186035,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -9.964274406433105,
        "relative_population": 0.9998426096669116
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.07999992370605,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]