[
  {
    "molid": "mol38563",
    "smiles": "CCC(C)C(NC(=O)CN)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)[O-]",
        "std_free_energy": -11.531973838806152,
        "relative_population": 0.9999636291526179
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)O",
        "std_free_energy": -3.1016383171081543,
        "relative_population": 0.9646620352880492
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.89000010490417,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]