[
  {
    "molid": "mol38509",
    "smiles": "NCC(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)[O-]",
        "std_free_energy": -11.070932388305664,
        "relative_population": 0.9998893886929117
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)O",
        "std_free_energy": -2.730146646499634,
        "relative_population": 0.976475246828699
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.10999989509583,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]