[
  {
    "molid": "mol33909",
    "smiles": "C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -11.063446044921875,
        "relative_population": 0.9998423127605982
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)O",
        "std_free_energy": -2.5572516918182373,
        "relative_population": 0.990684981500874
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.32999992370605,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]