[
  {
    "molid": "mol35970",
    "smiles": "O=C(NCCCC(NC(=O)c1ccccc1)C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NCCC[C@@H](NC(=O)c1ccccc1)C(=O)O)c1ccccc1",
        "std_free_energy": -3.4537854194641113,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(NCCC[C@@H](NC(=O)c1ccccc1)C(=O)[O-])c1ccccc1",
        "std_free_energy": -10.172511100769043,
        "relative_population": 0.99998223179154
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]