[
  {
    "molid": "mol37482",
    "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc3c(O)c(c2)CCN2CCOCCOCCN(CCOCCOCC2)CC3)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc3c([O-])c(c2)CC[NH+]2CCOCCOCCN(CCOCCOCC2)CC3)cc1",
        "std_free_energy": -2.1835758686065674,
        "relative_population": 0.16831673776222958
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc3c(O)c(c2)CCN2CCOCCOCCN(CCOCCOCC2)CC3)cc1",
        "std_free_energy": -3.781179904937744,
        "relative_population": 0.8316831878971922
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc3c([O-])c(c2)CCN2CCOCCOCCN(CCOCCOCC2)CC3)cc1",
        "std_free_energy": 3.6602306365966797,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]