[
  {
    "molid": "mol37648",
    "smiles": "C[C@H](NC(=O)CN)C(=O)N[C@H](C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](NC(=O)C[NH3+])C(=O)N[C@H](C)C(=O)[O-]",
        "std_free_energy": -11.209159851074219,
        "relative_population": 0.9999225639841738
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H](NC(=O)CN)C(=O)N[C@H](C)C(O)=[OH+]",
        "std_free_energy": 0.02359922230243683,
        "relative_population": 0.05128299645598774
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@H](NC(=O)C[NH3+])C(=O)N[C@H](C)C(=O)O",
        "std_free_energy": -2.872690439224243,
        "relative_population": 0.9285729132029006
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]