[
  {
    "molid": "mol34462",
    "smiles": "CC(C)CNC(=O)c1ncccc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)CNC(=O)c1ncccc1O",
        "std_free_energy": -6.338709831237793,
        "relative_population": 0.9999846029516006
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)CNC(=[OH+])c1ncccc1O",
        "std_free_energy": 3.5902676582336426,
        "relative_population": 0.17729889958312067
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)CNC(=O)c1[nH+]cccc1O",
        "std_free_energy": 2.055511713027954,
        "relative_population": 0.8227011004168793
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.40000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]