[
  {
    "molid": "mol36443",
    "smiles": "CN(O)C(=O)CN1CCN(CC(=O)N(C)O)CC1",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(O)C(=O)CN1CC[NH+](CC(=O)N(C)O)CC1",
        "std_free_energy": -6.629642963409424,
        "relative_population": 0.9984244159008276
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CN(O)C(=O)C[NH+]1CC[NH+](CC(=O)N(C)O)CC1",
        "std_free_energy": 2.103109121322632,
        "relative_population": 0.9906057341226506
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.44000005722046,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]