[
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    "molid": "mol14509",
    "smiles": "Nc1ncnc2c1nnn2Cc1ccco1",
    "microspecies": [
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        "id": "0_1",
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        "smiles": "Nc1ncnc2c1nnn2Cc1ccco1",
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        "smiles": "Nc1nc[nH+]c2c1nnn2Cc1ccco1",
        "std_free_energy": 3.691190481185913,
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        "smiles": "Nc1ncnc2c1[nH+]nn2Cc1ccco1",
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        "id": "1_3",
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        "smiles": "Nc1ncnc2c1n[nH+]n2Cc1ccco1",
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        "id": "1_4",
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        "smiles": "[NH3+]c1ncnc2c1nnn2Cc1ccco1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.5999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]