[
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    "molid": "mol35957",
    "smiles": "O=[N+]([O-])c1ccccc1/N=N/C(O)=NNc1ccccc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccccc1/N=N/C(O)=N/Nc1ccccc1[N+](=O)[O-]",
        "std_free_energy": -3.9465410709381104,
        "relative_population": 0.9999952048798152
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      {
        "id": "1_1",
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        "smiles": "O=[N+]([O-])c1ccccc1/N=[NH+]/C(O)=N/Nc1ccccc1[N+](=O)[O-]",
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        "relative_population": 0.0993348347621762
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        "id": "1_2",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccccc1/N=N/C(O)=N/[NH2+]c1ccccc1[N+](=O)[O-]",
        "std_free_energy": 11.699505805969238,
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccccc1N/N=C([O-])/[NH+]=[NH+]/c1ccccc1[N+](=O)[O-]",
        "std_free_energy": 12.551172256469727,
        "relative_population": 0.1981977973045055
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      {
        "id": "1_4",
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        "smiles": "O=[N+]([O-])c1ccccc1N/N=C(O)/N=[NH+]/c1ccccc1[N+](=O)[O-]",
        "std_free_energy": 12.883069038391113,
        "relative_population": 0.14221908580686338
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      {
        "id": "1_7",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccccc1/N=N/C(O)=[NH+]/Nc1ccccc1[N+](=O)[O-]",
        "std_free_energy": 13.699430465698242,
        "relative_population": 0.06286611454733167
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]