[
  {
    "molid": "mol35036",
    "smiles": "CC(C)(C)c1cc(O)c(O)c(CN2CCCCC2)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc([O-])c(O)c(CN2CCCCC2)c1",
        "std_free_energy": 4.065374851226807,
        "relative_population": 0.6493930289044197
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(O)c([O-])c(CN2CCCCC2)c1",
        "std_free_energy": 4.997524738311768,
        "relative_population": 0.2556701757555457
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc([O-])c([O-])c(C[NH+]2CCCCC2)c1",
        "std_free_energy": 5.98820161819458,
        "relative_population": 0.09493679534003459
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(C)c1cc([O-])c([O-])c(CN2CCCCC2)c1",
        "std_free_energy": 15.27879810333252,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.9799995422363,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]