[
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    "molid": "mol25698",
    "smiles": "CNc1nccnc1N",
    "microspecies": [
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        "id": "0_1",
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        "smiles": "CNc1[nH+]cc[nH+]c1N",
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        "id": "2_4",
        "charge": 2,
        "smiles": "C[NH2+]c1ncc[nH+]c1N",
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      {
        "id": "2_5",
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      {
        "id": "2_6",
        "charge": 2,
        "smiles": "C[NH2+]c1nccnc1[NH3+]",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
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        "pka_value": 2.05,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]