[
  {
    "molid": "mol38058",
    "smiles": "COc1ccc2c(c1)OCCCN2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1)OCCCN2",
        "std_free_energy": -3.6270751953125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2c(c1)OCCC[NH2+]2",
        "std_free_energy": -2.6952834129333496,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.05000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]