[
  {
    "molid": "mol34737",
    "smiles": "CC(=O)OCC(=O)/C(C)=N\\O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)OCC(=O)/C(C)=N\\O",
        "std_free_energy": -6.205437660217285,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)OCC(=O)/C(C)=N\\[O-]",
        "std_free_energy": -0.559144914150238,
        "relative_population": 0.4147867550485656
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)O[CH-]C(=O)/C(C)=N\\O",
        "std_free_energy": -0.903356671333313,
        "relative_population": 0.5852132449514343
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]