[
  {
    "molid": "mol35064",
    "smiles": "CC(C)C(NC(=O)OC(C)(C)C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O",
        "std_free_energy": -3.290069580078125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]",
        "std_free_energy": -9.899370193481445,
        "relative_population": 0.9999894622201759
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.6800000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]