[
  {
    "molid": "mol34153",
    "smiles": "CN(CC(=O)O)C(=O)CNC(=O)CNC(=O)CN",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(CC(=O)[O-])C(=O)CNC(=O)CNC(=O)C[NH3+]",
        "std_free_energy": -11.277117729187012,
        "relative_population": 0.9999430114883004
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(CC(=O)O)C(=O)CNC(=O)CNC(=O)C[NH3+]",
        "std_free_energy": -2.423527479171753,
        "relative_population": 0.9824696634708361
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.03999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]