[
  {
    "molid": "mol36193",
    "smiles": "Clc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1",
        "std_free_energy": -5.819035530090332,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc(Cc2noc(CCc3c[nH]c[nH+]3)n2)cc1",
        "std_free_energy": -6.229400634765625,
        "relative_population": 0.9447066308198062
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.69000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]