[
  {
    "molid": "mol34011",
    "smiles": "N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)[O-]",
        "std_free_energy": -11.154356956481934,
        "relative_population": 0.999963375756534
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)[O-]",
        "std_free_energy": -6.353858947753906,
        "relative_population": 0.9994404408893608
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.89999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]