[
  {
    "molid": "mol5372",
    "smiles": "CC(C)C[C@@H](C(=O)NCC(=O)O)N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[C@@H](C(=O)NCC(=O)[O-])[NH+](C)C",
        "std_free_energy": -11.281977653503418,
        "relative_population": 0.9997897995850721
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C[C@@H](C(=O)NCC(=O)[O-])N(C)C",
        "std_free_energy": -7.825568675994873,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]