[
  {
    "molid": "mol35384",
    "smiles": "CCCCCN(CCCCC)Cc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCN(CCCCC)Cc1ccccc1O",
        "std_free_energy": -3.2570672035217285,
        "relative_population": 0.22071104709027536
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCC[NH+](CCCCC)Cc1ccccc1[O-]",
        "std_free_energy": -4.518594741821289,
        "relative_population": 0.7792889529097246
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCC[NH+](CCCCC)Cc1ccccc1O",
        "std_free_energy": -8.949947357177734,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.32999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.88000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]