[
  {
    "molid": "mol36429",
    "smiles": "CN(CC(O)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C[C@H](O)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1",
        "std_free_energy": -5.942994117736816,
        "relative_population": 1.0
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "C[NH+](C[C@H](O)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1",
        "std_free_energy": -0.9331449270248413,
        "relative_population": 0.900183814096778
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.62000000476837,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]