[
  {
    "molid": "mol34770",
    "smiles": "CC(CN)c1cc(O)no1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C[NH3+])c1cc([O-])no1",
        "std_free_energy": -8.29659366607666,
        "relative_population": 0.9965816530773032
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@@H](C[NH3+])c1cc(O)no1",
        "std_free_energy": -5.956078052520752,
        "relative_population": 0.9889711245068427
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.07999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]