[
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    "molid": "mol14593",
    "smiles": "Cc1ccc(N=C2C=CC(=N)C=C2)c(N)c1",
    "microspecies": [
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        "smiles": "Cc1ccc([NH+]=C2C=CC(=N)C=C2)c(N)c1",
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        "smiles": "Cc1ccc(N=C2C=CC(=[NH2+])C=C2)c(N)c1",
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        "relative_population": 0.3933338403281188
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        "id": "2_1",
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        "smiles": "Cc1ccc([NH+]=C2C=CC(=N)C=C2)c([NH3+])c1",
        "std_free_energy": 7.4105143547058105,
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        "smiles": "Cc1ccc([NH+]=C2C=CC(=[NH2+])C=C2)c(N)c1",
        "std_free_energy": 7.634141445159912,
        "relative_population": 0.36129225728409614
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        "id": "2_3",
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        "smiles": "Cc1ccc(N=C2C=CC(=[NH2+])C=C2)c([NH3+])c1",
        "std_free_energy": 8.293394088745117,
        "relative_population": 0.18687399462199025
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.1999998,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
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        "pka_value": 4.19999980926514,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]