[
  {
    "molid": "mol34634",
    "smiles": "COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@@H]2CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@@H]2CC(=O)O",
        "std_free_energy": -2.9541146755218506,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2c(c1C)CC[C@@](C)(C(=O)[O-])[C@@H]2CC(=O)O",
        "std_free_energy": -8.01026439666748,
        "relative_population": 0.33313150241673256
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@@H]2CC(=O)[O-]",
        "std_free_energy": -8.704319953918457,
        "relative_population": 0.6668684975832674
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.42000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]