[
  {
    "molid": "mol35856",
    "smiles": "CCOC(=O)CC(=O)C=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)CC(=O)C=NO",
        "std_free_energy": -5.5550079345703125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)CC(=O)C=N[O-]",
        "std_free_energy": -1.8388190269470215,
        "relative_population": 0.7623141413797883
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)[CH-]C(=O)C=NO",
        "std_free_energy": -0.673410177230835,
        "relative_population": 0.23768585862021183
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.92000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]