[
  {
    "molid": "mol36811",
    "smiles": "S=C(NC1CCCCC1)N1CCC(c2c[nH]cn2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "S=C(NC1CCCCC1)N1CCC(c2c[nH]cn2)CC1",
        "std_free_energy": -5.595089435577393,
        "relative_population": 0.9999999536224502
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "S=C(NC1CCCCC1)N1CCC(c2c[nH]c[nH+]2)CC1",
        "std_free_energy": -6.8061981201171875,
        "relative_population": 0.999121962690283
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.01999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]