[
  {
    "molid": "mol38271",
    "smiles": "O=C(O)C(CO)NCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])[C@H](CO)[NH2+]Cc1ccccc1",
        "std_free_energy": -11.982068061828613,
        "relative_population": 0.9999144745472197
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)[C@H](CO)[NH2+]Cc1ccccc1",
        "std_free_energy": -1.1729207038879395,
        "relative_population": 0.9402352661710256
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.20000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]