[
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    "molid": "mol35047",
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    "microspecies": [
      {
        "id": "0_4",
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        "id": "0_10",
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        "smiles": "CC(C)(NCC[NH2+]CC[NH2+]C(C)(C)P(=O)([O-])O)P(=O)([O-])O",
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        "id": "-1_1",
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        "smiles": "CC(C)([NH2+]CC[NH2+]CCNC(C)(C)P(=O)([O-])O)P(=O)([O-])[O-]",
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        "id": "-1_4",
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        "smiles": "CC(C)([NH2+]CCNCC[NH2+]C(C)(C)P(=O)([O-])O)P(=O)([O-])[O-]",
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        "id": "-1_6",
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        "smiles": "CC(C)(NCC[NH2+]CC[NH2+]C(C)(C)P(=O)([O-])O)P(=O)([O-])[O-]",
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      {
        "id": "-1_8",
        "charge": -1,
        "smiles": "CC(C)([NH2+]CC[NH2+]CC[NH2+]C(C)(C)P(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -13.901578903198242,
        "relative_population": 0.2685114371597691
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.3899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]