[
  {
    "molid": "mol38019",
    "smiles": "CCN(CC)c1ccc(N=Nc2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](CC)c1ccc(N=Nc2ccc(O)cc2)cc1",
        "std_free_energy": -1.177356481552124,
        "relative_population": 0.6793652477041507
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        "id": "1_4",
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        "smiles": "CCN(CC)c1ccc(N=[NH+]c2ccc(O)cc2)cc1",
        "std_free_energy": 0.32727646827697754,
        "relative_population": 0.15088620646372516
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        "id": "1_6",
        "charge": 1,
        "smiles": "CCN(CC)c1ccc([NH+]=Nc2ccc(O)cc2)cc1",
        "std_free_energy": 0.2098822295665741,
        "relative_population": 0.16968099799146877
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      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCN(CC)c1ccc([NH+]=[NH+]c2ccc(O)cc2)cc1",
        "std_free_energy": 6.068842887878418,
        "relative_population": 0.8500758233266444
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        "id": "2_2",
        "charge": 2,
        "smiles": "CC[NH+](CC)c1ccc(N=[NH+]c2ccc(O)cc2)cc1",
        "std_free_energy": 8.573857307434082,
        "relative_population": 0.06942945005400654
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      {
        "id": "2_3",
        "charge": 2,
        "smiles": "CC[NH+](CC)c1ccc([NH+]=Nc2ccc(O)cc2)cc1",
        "std_free_energy": 8.732098579406738,
        "relative_population": 0.05926801935366159
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.88999998569489,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]