[
  {
    "molid": "mol37807",
    "smiles": "CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2C[C@@](C)(CC4CCOC4)C[C@@]4(O[C@@H]4C(=O)O)[C@]2(C)C(=O)C[C@@H]13",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2C[C@@](C)(C[C@H]4CCOC4)C[C@@]4(O[C@@H]4C(=O)O)[C@]2(C)C(=O)C[C@@H]13",
        "std_free_energy": -1.3781336545944214,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2C[C@@](C)(C[C@H]4CCOC4)C[C@@]4(O[C@@H]4C(=O)[O-])[C@]2(C)C(=O)C[C@@H]13",
        "std_free_energy": -10.698650360107422,
        "relative_population": 0.9989149678046274
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]