[
  {
    "molid": "mol35176",
    "smiles": "CCC1=C(c2ccc(Cl)cc2)N2CCN=C2S1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC1=C(c2ccc(Cl)cc2)N2CCN=C2S1",
        "std_free_energy": -2.6921157836914062,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC1=C(c2ccc(Cl)cc2)N2CC[NH+]=C2S1",
        "std_free_energy": -7.228843688964844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.67999982833862,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]