[
  {
    "molid": "mol37638",
    "smiles": "C[C@H]([C@@H](C)S(=O)(=O)c1ccccc1)N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]([C@@H](C)S(=O)(=O)c1ccccc1)N(C)C",
        "std_free_energy": -4.913599491119385,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]([C@@H](C)S(=O)(=O)c1ccccc1)[NH+](C)C",
        "std_free_energy": -7.0705108642578125,
        "relative_population": 0.9991933427586835
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]