[
  {
    "molid": "mol38408",
    "smiles": "CN(CCN(CCN(C)CC(=O)O)CCN(C)CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "3_4",
        "charge": 3,
        "smiles": "C[NH+](CC[NH+](CC[NH+](C)CC(=O)O)CC[NH+](C)CC(=O)O)CC(=O)[O-]",
        "std_free_energy": 0.8101261854171753,
        "relative_population": 0.9980012507850832
      },
      {
        "id": "4_5",
        "charge": 4,
        "smiles": "C[NH+](CC[NH+](CC[NH+](C)CC(=O)O)CC[NH+](C)CC(=O)O)CC(=O)O",
        "std_free_energy": 10.270535469055176,
        "relative_population": 0.9672313940164616
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.60999989509583,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]