[
  {
    "molid": "mol38345",
    "smiles": "Cc1cc(OCCN(C)C)c(C(C)C)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(OCC[NH+](C)C)c(C(C)C)cc1[O-]",
        "std_free_energy": -1.9100515842437744,
        "relative_population": 0.11349814823759445
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(OCCN(C)C)c(C(C)C)cc1O",
        "std_free_energy": -3.965548276901245,
        "relative_population": 0.8865018517624055
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(OCC[NH+](C)C)c(C(C)C)cc1O",
        "std_free_energy": -9.099149703979492,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.72000026702881,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]