[
  {
    "molid": "mol33983",
    "smiles": "CCCCC(=Cc1ccc2cccnc2c1O)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCC(=Cc1ccc2cccnc2c1O)CC",
        "std_free_energy": -6.0533037185668945,
        "relative_population": 0.9980689111085488
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCC(=Cc1ccc2ccc[nH+]c2c1O)CC",
        "std_free_energy": -2.306800603866577,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5699999332428,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]