[
  {
    "molid": "mol37487",
    "smiles": "O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOCCOCCOCCOC3)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOCCOCCOCCOC3)c([N+](=O)[O-])c1",
        "std_free_energy": -5.287470817565918,
        "relative_population": 0.9999999867774624
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(N=Nc2cc3c([O-])c(c2)COCCOCCOCCOCCOCCOC3)c([N+](=O)[O-])c1",
        "std_free_energy": -2.2671971321105957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]