[
  {
    "molid": "mol22445",
    "smiles": "CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@H]2C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@H]2C(=O)O",
        "std_free_energy": -0.8496490716934204,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@H]2C(=O)[O-]",
        "std_free_energy": -11.817850112915039,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.04999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]