[
  {
    "molid": "mol34435",
    "smiles": "CCCCCCCCN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCC[NH+](CC(=O)[O-])CC(=O)O",
        "std_free_energy": -5.878482818603516,
        "relative_population": 0.9806961073501872
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -14.277572631835938,
        "relative_population": 0.9963137445945408
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]