[
  {
    "molid": "mol35854",
    "smiles": "CCOC(=O)C1Cc2c([nH]c3ccccc23)CCN(CC)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CCN(CC)C1",
        "std_free_energy": -4.9659857749938965,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CC[NH+](CC)C1",
        "std_free_energy": -8.535792350769043,
        "relative_population": 0.9984407425826347
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]