[
  {
    "molid": "mol36147",
    "smiles": "O=C(O)CN(CCCl)CCN(CCCl)CC(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CN(CCCl)CC[NH+](CCCl)CC(=O)[O-]",
        "std_free_energy": -13.305424690246582,
        "relative_population": 0.9866897273174007
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN(CCCl)CCN(CCCl)CC(=O)[O-]",
        "std_free_energy": -9.707437515258789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.80999994277954,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]