[
  {
    "molid": "mol36240",
    "smiles": "CN(C)CCCN=C(c1ccccc1O)c1ccccc1O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)CCC[NH+]=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": -7.422205924987793,
        "relative_population": 0.11771939568764107
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)CCCN=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": -9.434826850891113,
        "relative_population": 0.8808829139362886
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)CCC[NH+]=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": -1.8206785917282104,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.41000008583069,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]