[
  {
    "molid": "mol37494",
    "smiles": "O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOCCOC3)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOCCOC3)c([N+](=O)[O-])c1",
        "std_free_energy": -5.4363250732421875,
        "relative_population": 0.999999990963385
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(N=Nc2cc3c([O-])c(c2)COCCOCCOCCOC3)c([N+](=O)[O-])c1",
        "std_free_energy": -2.5478100776672363,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]