[
  {
    "molid": "mol35260",
    "smiles": "NCCCc1cc(O)no1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CCCc1cc([O-])no1",
        "std_free_energy": -8.388481140136719,
        "relative_population": 0.998763713123134
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]CCCc1cc(O)no1",
        "std_free_energy": -6.795054912567139,
        "relative_population": 0.9931921526176613
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.36999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]