[
  {
    "molid": "mol34674",
    "smiles": "CC(=NO)C(=NO)C(=O)Nc1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(=NO)C(=NO)C(=O)Nc1cccc(Cl)c1",
        "std_free_energy": -7.3229451179504395,
        "relative_population": 0.9999990992344033
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=NO)C(=N[O-])C(=O)Nc1cccc(Cl)c1",
        "std_free_energy": -2.9608893394470215,
        "relative_population": 0.5330094978455868
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=N[O-])C(=NO)C(=O)Nc1cccc(Cl)c1",
        "std_free_energy": -2.7798194885253906,
        "relative_population": 0.44473090557443284
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]