[
  {
    "molid": "mol36272",
    "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c(N/N=C/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C(F)(F)F)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c(N/N=C/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C(F)(F)F)c1",
        "std_free_energy": -5.8087968826293945,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]/N=C/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C(F)(F)F)c1",
        "std_free_energy": 1.312009334564209,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]