[
  {
    "molid": "mol33812",
    "smiles": "CCOC(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)NO",
        "std_free_energy": -6.324045181274414,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)[N-]O",
        "std_free_energy": -0.5465055704116821,
        "relative_population": 0.6073363424596095
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)N[O-]",
        "std_free_energy": -0.11037623882293701,
        "relative_population": 0.39266365754039056
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.3500003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]