[
  {
    "molid": "mol36244",
    "smiles": "CN(C)CCN=C(c1ccccc1O)c1ccccc1O",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)CC[NH+]=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": -6.8820648193359375,
        "relative_population": 0.07409597018914821
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+](C)CCN=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": -9.407370567321777,
        "relative_population": 0.9258080237578162
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)CC[NH+]=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": 0.2169046849012375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.49000000953674,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]