[
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    "molid": "mol4296",
    "smiles": "Nc1nnn[nH]1",
    "microspecies": [
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        "id": "0_1",
        "charge": 0,
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        "smiles": "[NH3+]c1nnn[nH]1",
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        "smiles": "Nc1n[nH+]n[nH]1",
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    ],
    "macro_pka_values": [
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        "pka_value": 6.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.98,
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        "data_source": "Datawarrior"
      },
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        "pka_value": 6.03000020980835,
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      },
      {
        "pka_value": 6.03,
        "charge_state_pre": 0,
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        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 1.76,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 1.81,
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        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
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        "pka_value": 1.8099999,
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        "data_source": "OCHEM"
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        "pka_value": 1.79999995231628,
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        "pka_value": 1.82000005245209,
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      {
        "pka_value": 1.82,
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        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]