[
  {
    "molid": "mol34261",
    "smiles": "NCC(CO)(CO)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCC(CO)(CO)CO",
        "std_free_energy": -3.2470145225524902,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]CC(CO)(CO)CO",
        "std_free_energy": -9.123921394348145,
        "relative_population": 0.9886385322632755
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.23999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]