[
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    "molid": "mol26332",
    "smiles": "COc1cccc2c(N(C)C)nc(-c3ccccc3)nc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc2c(N(C)C)nc(-c3ccccc3)nc12",
        "std_free_energy": -5.820897102355957,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
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        "smiles": "COc1cccc2c(N(C)C)[nH+]c(-c3ccccc3)nc12",
        "std_free_energy": -2.8775951862335205,
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      {
        "id": "1_2",
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        "smiles": "COc1cccc2c([NH+](C)C)nc(-c3ccccc3)nc12",
        "std_free_energy": -2.3531219959259033,
        "relative_population": 0.2723621641847436
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      {
        "id": "1_3",
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        "smiles": "COc1cccc2c(N(C)C)nc(-c3ccccc3)[nH+]c12",
        "std_free_energy": -2.3349716663360596,
        "relative_population": 0.2674632936814404
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.92999982833862,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]