[
  {
    "molid": "mol38327",
    "smiles": "COCCNCc1cc(CNCCOC)[nH]n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCCNCc1cc(CNCCOC)[nH]n1",
        "std_free_energy": -3.371582508087158,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COCCNCc1cc(C[NH2+]CCOC)[nH]n1",
        "std_free_energy": -8.109371185302734,
        "relative_population": 0.48356615584620694
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COCCNCc1cc(C[NH2+]CCOC)n[nH]1",
        "std_free_energy": -8.155349731445312,
        "relative_population": 0.5063188851816829
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.34000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]