[
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    "molid": "mol16042",
    "smiles": "NCc1nnn[nH]1",
    "microspecies": [
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        "id": "0_1",
        "charge": 0,
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        "smiles": "NCc1n[nH+]n[nH]1",
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        "id": "1_2",
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        "smiles": "NCc1[nH]nn[nH+]1",
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        "relative_population": 0.4230304076818139
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        "id": "1_3",
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        "smiles": "[NH3+]Cc1nnn[nH]1",
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    ],
    "macro_pka_values": [
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        "pka_value": 8.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.62,
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        "data_source": "Datawarrior"
      },
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        "pka_value": 2.6199999,
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        "data_source": "OCHEM"
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        "pka_value": 2.61999988555908,
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        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]