[
  {
    "molid": "mol38489",
    "smiles": "CC1(C)C(c2ccccc2)=Nc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)C(c2ccccc2)=Nc2ccccc21",
        "std_free_energy": -5.874508380889893,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)C(c2ccccc2)=[NH+]c2ccccc21",
        "std_free_energy": -0.7212960720062256,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]