[
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    "molid": "mol25813",
    "smiles": "CCNc1nc(O)nc(NC(C)(C)C)n1",
    "microspecies": [
      {
        "id": "0_2",
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        "smiles": "CCNc1nc(O)nc([NH2+]C(C)(C)C)n1",
        "std_free_energy": -1.4410284757614136,
        "relative_population": 0.4380940542817421
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      {
        "id": "-1_1",
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        "smiles": "CC[N-]c1nc(O)nc(NC(C)(C)C)n1",
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        "id": "-1_2",
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        "id": "-1_3",
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        "std_free_energy": 1.6881656646728516,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 5.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]