[
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    "molid": "mol15375",
    "smiles": "Oc1ccccc1C1CCNCCNCCCNCCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1ccccc1[C@@H]1CCNCCNCCC[NH2+]CCN1",
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        "id": "0_2",
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        "smiles": "[O-]c1ccccc1[C@@H]1CCNCC[NH2+]CCCNCCN1",
        "std_free_energy": -1.4981902837753296,
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        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1ccccc1[C@@H]1CC[NH2+]CCNCCCNCCN1",
        "std_free_energy": -1.6509233713150024,
        "relative_population": 0.23674602046416254
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        "id": "0_4",
        "charge": 0,
        "smiles": "[O-]c1ccccc1[C@@H]1CCNCCNCCCNCC[NH2+]1",
        "std_free_energy": -1.259040355682373,
        "relative_population": 0.15998897510577095
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        "id": "0_5",
        "charge": 0,
        "smiles": "Oc1ccccc1[C@@H]1CCNCCNCCCNCCN1",
        "std_free_energy": -1.738008737564087,
        "relative_population": 0.25828749575447346
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      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccccc1[C@@H]1CCNCCNCCCNCCN1",
        "std_free_energy": 6.824066162109375,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.8400001525879,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]