[
  {
    "molid": "mol35404",
    "smiles": "CCCCNCc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC[NH2+]Cc1ccccc1[O-]",
        "std_free_energy": -4.334702014923096,
        "relative_population": 0.8473043859125166
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCNCc1ccccc1O",
        "std_free_energy": -2.6210885047912598,
        "relative_population": 0.15269561408748353
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCC[NH2+]Cc1ccccc1O",
        "std_free_energy": -9.453112602233887,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.44999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]