[
  {
    "molid": "mol37724",
    "smiles": "N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -10.798372268676758,
        "relative_population": 0.999717903204469
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O",
        "std_free_energy": -2.459907054901123,
        "relative_population": 0.9899698519681114
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9300000667572,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]