[
  {
    "molid": "mol34168",
    "smiles": "CNC(=O)N(C)C(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)N(C)[C@@H](C)C(=O)O",
        "std_free_energy": -3.2445850372314453,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC(=O)N(C)[C@@H](C)C(=O)[O-]",
        "std_free_energy": -10.566634178161621,
        "relative_population": 0.9999999034030472
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9300000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]