[
  {
    "molid": "mol36759",
    "smiles": "C=CC(=O)NC(O)C(Cl)(Cl)Cl",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C=CC(=O)N[C@@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 5.476986408233643,
        "relative_population": 0.9790420121361723
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C=CC(=O)[N-][C@@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 8.790897369384766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.9499998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]