[
  {
    "molid": "mol35096",
    "smiles": "C[C@@H](/N=C/c1ccccc1O)c1cccc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](/N=C/c1ccccc1O)c1cccc2ccccc12",
        "std_free_energy": -5.182414531707764,
        "relative_population": 0.8848165601857173
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](/[NH+]=C/c1ccccc1[O-])c1cccc2ccccc12",
        "std_free_energy": -3.1435601711273193,
        "relative_population": 0.1151834398142827
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](/[NH+]=C/c1ccccc1O)c1cccc2ccccc12",
        "std_free_energy": -3.3252041339874268,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.81999969482422,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]