[
  {
    "molid": "mol38069",
    "smiles": "OCCCNCc1cc(CNCCCO)[nH]n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCCCNCc1cc(CNCCCO)[nH]n1",
        "std_free_energy": -1.6513545513153076,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCCCNCc1cc(C[NH2+]CCCO)n[nH]1",
        "std_free_energy": -8.481014251708984,
        "relative_population": 0.4808844332830684
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "OCCCNCc1cc(C[NH2+]CCCO)[nH]n1",
        "std_free_energy": -8.53048038482666,
        "relative_population": 0.5052700864245819
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.23000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]