[
  {
    "molid": "mol37844",
    "smiles": "CN1C=CC=C/C1=C/C=C1C=CC(=O)C=C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C=CC=C/C1=C/C=C1C=CC(=O)C=C1",
        "std_free_energy": -4.855698108673096,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1C=CC=C/C1=C/C=C1C=CC(=O)C=C1",
        "std_free_energy": -2.085846424102783,
        "relative_population": 0.7305420208330858
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1C=CC=C/C1=C/C=C1C=CC(=[OH+])C=C1",
        "std_free_energy": -1.0884721279144287,
        "relative_population": 0.2694579791669143
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39999961853027,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]