[
  {
    "molid": "mol36431",
    "smiles": "CN(CCC(=O)O)CCC(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[NH+](CCC(=O)[O-])CCC(=O)[O-]",
        "std_free_energy": -13.908019065856934,
        "relative_population": 0.9995022233920529
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CN(CCC(=O)[O-])CCC(=O)[O-]",
        "std_free_energy": -6.082707405090332,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.47999954223633,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]