[
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    "smiles": "Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CN=C(N)NC1",
    "microspecies": [
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        "std_free_energy": 9.724451065063477,
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        "id": "-2_1",
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        "smiles": "Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)[N-]C[C@H]1CN=C(N)[N-]C1",
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        "smiles": "Cc1cnc([N-]CCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CN=C(N)[N-]C1",
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        "relative_population": 0.3353457216092731
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        "id": "-2_4",
        "charge": -2,
        "smiles": "Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CN=C([NH-])[N-]C1",
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        "relative_population": 0.09785957926634431
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      {
        "id": "-2_5",
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        "smiles": "Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)[N-]C[C@H]1CN=C([NH-])NC1",
        "std_free_energy": 15.316545486450195,
        "relative_population": 0.10928639717065167
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      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "Cc1cnc([N-]CCc2ccccc2)c(=O)n1CC(=O)[N-]C[C@H]1CN=C(N)NC1",
        "std_free_energy": 14.831557273864746,
        "relative_population": 0.17749814283467444
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    ],
    "macro_pka_values": [
      {
        "pka_value": 14.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]