[
  {
    "molid": "mol38495",
    "smiles": "NC(CCCC(N)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]",
        "std_free_energy": -15.27237606048584,
        "relative_population": 0.9989895793268988
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@H](CCC[C@@H]([NH3+])C(=O)O)C(=O)[O-]",
        "std_free_energy": -7.307967185974121,
        "relative_population": 0.9994408006819403
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]