[
  {
    "molid": "mol22643",
    "smiles": "C[C@@H]1CC[C@H](C)[C@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]3CC(=O)O)[C@H]21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1CC[C@H](C)[C@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]3CC(=O)O)[C@H]21",
        "std_free_energy": -2.066890001296997,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1CC[C@H](C)[C@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]3CC(=O)[O-])[C@H]21",
        "std_free_energy": -7.866859436035156,
        "relative_population": 0.3600980112663736
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H]1CC[C@H](C)[C@H]2[C@H]3C[C@H]([C@@H](C(=O)[O-])[C@@H]3CC(=O)O)[C@H]21",
        "std_free_energy": -8.441798210144043,
        "relative_population": 0.6399019887336265
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]