[
  {
    "molid": "mol35037",
    "smiles": "CC(C)(C)c1cc(O)c(O)c(CN2CCOCC2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(O)c(O)c(CN2CCOCC2)c1",
        "std_free_energy": -5.989158630371094,
        "relative_population": 0.8756720693759292
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(O)c([O-])c(C[NH+]2CCOCC2)c1",
        "std_free_energy": -3.2403595447540283,
        "relative_population": 0.05604710989478223
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc([O-])c(O)c(C[NH+]2CCOCC2)c1",
        "std_free_energy": -3.437795877456665,
        "relative_population": 0.06828082072928861
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(O)c([O-])c(CN2CCOCC2)c1",
        "std_free_energy": 1.8426350355148315,
        "relative_population": 0.2672952780947676
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc([O-])c(O)c(CN2CCOCC2)c1",
        "std_free_energy": 0.8347094058990479,
        "relative_population": 0.732365412944341
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]