[
  {
    "molid": "mol35147",
    "smiles": "CCC(N)C(=O)NC(CC)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H]([NH3+])C(=O)N[C@@H](CC)C(=O)[O-]",
        "std_free_energy": -11.231972694396973,
        "relative_population": 0.9999140538878405
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@@H](N)C(=O)N[C@@H](CC)C(=O)[O-]",
        "std_free_energy": -8.086982727050781,
        "relative_population": 0.9999878769749452
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39000034332275,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]