[
  {
    "molid": "mol38031",
    "smiles": "CNCCOc1cc(C)c(O)cc1C(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH2+]CCOc1cc(C)c([O-])cc1C(C)C",
        "std_free_energy": -2.2630462646484375,
        "relative_population": 0.2666212922519262
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CNCCOc1cc(C)c(O)cc1C(C)C",
        "std_free_energy": -3.274879217147827,
        "relative_population": 0.7333787077480738
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]CCOc1cc(C)c(O)cc1C(C)C",
        "std_free_energy": -9.338031768798828,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.31999969482422,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]