[
  {
    "molid": "mol37611",
    "smiles": "C[C@@]12C[C@@H](C(=O)O)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2CCC1(O)C(=O)O2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@]12C[C@@H](C(=O)O)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2CC[C@]1(O)C(=O)O2",
        "std_free_energy": -2.5176165103912354,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@]12C[C@@H](C(=O)[O-])OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2CC[C@]1(O)C(=O)O2",
        "std_free_energy": -9.819854736328125,
        "relative_population": 0.999849710943675
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]