[
  {
    "molid": "mol8022",
    "smiles": "Clc1cc2nccnc2cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1cc2nccnc2cn1",
        "std_free_energy": -9.186707496643066,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1cc2nccnc2c[nH+]1",
        "std_free_energy": 2.7427756786346436,
        "relative_population": 0.31015278910222305
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1cc2[nH+]ccnc2cn1",
        "std_free_energy": 2.523059844970703,
        "relative_population": 0.38636436607972585
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Clc1cc2ncc[nH+]c2cn1",
        "std_free_energy": 2.7645156383514404,
        "relative_population": 0.3034828448180512
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.22000002861023,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]