[
  {
    "molid": "mol35650",
    "smiles": "CCN(CC)Cc1c2ccccc2c(Cl)c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)Cc1c2ccccc2c(Cl)c2ccccc12",
        "std_free_energy": -1.8526856899261475,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](CC)Cc1c2ccccc2c(Cl)c2ccccc12",
        "std_free_energy": -8.111547470092773,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]