[
  {
    "molid": "mol37286",
    "smiles": "C[C@H](O)C(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](O)C(=O)NO",
        "std_free_energy": -6.998878479003906,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](O)C(=O)N[O-]",
        "std_free_energy": -0.821151614189148,
        "relative_population": 0.7063787288955807
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](O)C(=O)[N-]O",
        "std_free_energy": 0.05739568918943405,
        "relative_population": 0.29341976636847367
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.36999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]