[
  {
    "molid": "mol30753",
    "smiles": "CC(C)(C)c1cc(C(C)(C)C)c(O)c(O)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(C(C)(C)C)c(O)c([O-])c1O",
        "std_free_energy": -1.221962332725525,
        "relative_population": 0.7725463547544641
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(C(C)(C)C)c(O)c(O)c1[O-]",
        "std_free_energy": 0.0007832199335098267,
        "relative_population": 0.22745364524553588
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(C)c1cc(C(C)(C)C)c([O-])c(O)c1[O-]",
        "std_free_energy": 13.198254585266113,
        "relative_population": 0.3007441750546642
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(C)(C)c1cc(C(C)(C)C)c(O)c([O-])c1[O-]",
        "std_free_energy": 12.354497909545898,
        "relative_population": 0.6992558249453358
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]