[
  {
    "molid": "mol35040",
    "smiles": "CC(C)(C)c1ccc2c(c1)OC(O)C(=O)N2O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1ccc2c(c1)O[C-](O)C(=O)N2O",
        "std_free_energy": -2.4969451427459717,
        "relative_population": 0.43067218922009254
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1ccc2c(c1)O[C@@H](O)C(=O)N2[O-]",
        "std_free_energy": -2.7365171909332275,
        "relative_population": 0.5472574046944616
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(C)(C)c1ccc2c(c1)O[C-]([O-])C(=O)N2O",
        "std_free_energy": 2.5915229320526123,
        "relative_population": 0.9694910799936162
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]