[
  {
    "molid": "mol34736",
    "smiles": "CC(=O)OC(CN)COc1cccc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)O[C@@H](CN)COc1cccc2ccccc12",
        "std_free_energy": -2.9624037742614746,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)O[C@@H](C[NH3+])COc1cccc2ccccc12",
        "std_free_energy": -7.786184787750244,
        "relative_population": 0.9961300777933841
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.94999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]