[
  {
    "molid": "mol33842",
    "smiles": "O=[N+]([O-])c1ccc2c(Cl)c3ccccc3nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc2c(Cl)c3ccccc3nc2c1",
        "std_free_energy": -6.376439571380615,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccc2c(Cl)c3ccccc3[nH+]c2c1",
        "std_free_energy": 3.1290152072906494,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]