[
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    "molid": "mol7748",
    "smiles": "Cc1cc(NN)nc2ccccc12",
    "microspecies": [
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        "charge": 0,
        "smiles": "Cc1cc(NN)nc2ccccc12",
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        "smiles": "Cc1cc(N[NH3+])nc2ccccc12",
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        "id": "1_2",
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        "smiles": "Cc1cc(NN)[nH+]c2ccccc12",
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        "id": "2_1",
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        "smiles": "Cc1cc([NH2+]N)[nH+]c2ccccc12",
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        "id": "2_2",
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        "smiles": "Cc1cc(N[NH3+])[nH+]c2ccccc12",
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        "id": "2_3",
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        "smiles": "Cc1cc([NH2+][NH3+])nc2ccccc12",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.3500004,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]