[
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    "molid": "mol26331",
    "smiles": "COc1ccc2c(N(C)C)nc(-c3ccccc3)nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(N(C)C)nc(-c3ccccc3)nc2c1",
        "std_free_energy": -5.392208099365234,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
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        "smiles": "COc1ccc2c(N(C)C)nc(-c3ccccc3)[nH+]c2c1",
        "std_free_energy": -3.4206573963165283,
        "relative_population": 0.30118184421137895
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc2c([NH+](C)C)nc(-c3ccccc3)nc2c1",
        "std_free_energy": -3.461294174194336,
        "relative_population": 0.3136729848824598
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      {
        "id": "1_3",
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        "smiles": "COc1ccc2c(N(C)C)[nH+]c(-c3ccccc3)nc2c1",
        "std_free_energy": -3.6665635108947754,
        "relative_population": 0.3851451709061613
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]