[
  {
    "molid": "mol35068",
    "smiles": "CC(C)C(NCCO)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)[C@H]([NH2+]CCO)C(=O)[O-]",
        "std_free_energy": -12.205156326293945,
        "relative_population": 0.999962349857697
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)[C@H](NCCO)C(=O)[O-]",
        "std_free_energy": -5.605503082275391,
        "relative_population": 0.9999988930442796
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]