[
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    "molid": "mol15341",
    "smiles": "O=[N+]([O-])c1ccc(/C=C/c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1",
    "microspecies": [
      {
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        "smiles": "O=[N+]([O-])c1ccc(/C=C/c2[nH+]nnn2-c2ccc([N+](=O)[O-])cc2)cc1",
        "std_free_energy": 18.28388023376465,
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        "smiles": "O=[N+]([O-])c1ccc(/C=C/c2n[nH+]nn2-c2ccc([N+](=O)[O-])cc2)cc1",
        "std_free_energy": 16.449064254760742,
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        "id": "1_3",
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        "smiles": "O=[N+]([O-])c1ccc(/C=C/c2nn[nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1",
        "std_free_energy": 16.522613525390625,
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        "id": "2_1",
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        "smiles": "O=[N+]([O-])c1ccc(/C=C/c2[nH+][nH+]nn2-c2ccc([N+](=O)[O-])cc2)cc1",
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        "id": "2_2",
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        "smiles": "O=[N+]([O-])c1ccc(/C=C/c2n[nH+][nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1",
        "std_free_energy": 21.238313674926758,
        "relative_population": 0.33223619551781114
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      {
        "id": "2_3",
        "charge": 2,
        "smiles": "O=[N+]([O-])c1ccc(/C=C/c2[nH+]n[nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1",
        "std_free_energy": 21.192174911499023,
        "relative_population": 0.34792429453855167
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    ],
    "macro_pka_values": [
      {
        "pka_value": -3.15,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]