[
  {
    "molid": "mol36542",
    "smiles": "CNCC(=O)NCC(=O)OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNCC(=O)NCC(=O)OC",
        "std_free_energy": -4.224311828613281,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]CC(=O)NCC(=O)OC",
        "std_free_energy": -7.856328964233398,
        "relative_population": 0.9975976257748347
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]