[
  {
    "molid": "mol6717",
    "smiles": "CC(=O)OC1CC(c2ccccc2)=NO1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)O[C@H]1CC(c2ccccc2)=NO1",
        "std_free_energy": -6.1098175048828125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)O[C@H]1CC(c2ccccc2)=[NH+]O1",
        "std_free_energy": 2.74763560295105,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]