[
  {
    "molid": "mol35860",
    "smiles": "CCOC(=O)CNC(=O)NC",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)C[N-]C(=O)NC",
        "std_free_energy": 8.310051918029785,
        "relative_population": 0.4341374898597538
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)CNC(=O)[N-]C",
        "std_free_energy": 8.045062065124512,
        "relative_population": 0.5658625101402462
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCOC(=O)C[N-]C(=O)[N-]C",
        "std_free_energy": 9.246149063110352,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 18.7999992370605,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]