[
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    "molid": "mol34989",
    "smiles": "CC(=O)c1ccc(N=Nc2c(C)nn(-c3ccccc3)c2N)cc1",
    "microspecies": [
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        "smiles": "CC(=O)c1ccc(N=[NH+]c2c(C)nn(-c3ccccc3)c2N)cc1",
        "std_free_energy": 3.098848342895508,
        "relative_population": 0.32013859392541594
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        "id": "1_2",
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        "smiles": "CC(=O)c1ccc(N=Nc2c(C)[nH+]n(-c3ccccc3)c2N)cc1",
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        "relative_population": 0.19226972703726825
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        "id": "1_3",
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        "smiles": "CC(=O)c1ccc(N=Nc2c(C)nn(-c3ccccc3)c2[NH3+])cc1",
        "std_free_energy": 2.798156976699829,
        "relative_population": 0.4324407722600271
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        "id": "1_4",
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        "smiles": "CC(=[OH+])c1ccc(N=Nc2c(C)nn(-c3ccccc3)c2N)cc1",
        "std_free_energy": 4.857529163360596,
        "relative_population": 0.055150906777288684
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        "id": "2_5",
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        "smiles": "CC(=O)c1ccc([NH+]=Nc2c(C)nn(-c3ccccc3)c2[NH3+])cc1",
        "std_free_energy": 15.658682823181152,
        "relative_population": 0.053436186188705416
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      {
        "id": "2_8",
        "charge": 2,
        "smiles": "CC(=O)c1ccc([NH+]=[NH+]c2c(C)nn(-c3ccccc3)c2N)cc1",
        "std_free_energy": 12.848865509033203,
        "relative_population": 0.8874085507219088
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.41999995708466,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]