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    "microspecies": [
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        "id": "-2_14",
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        "smiles": "CC1=C(CCC(=O)[O-])c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CCC(=O)O)=C5C)c(CCC(=O)O)c4C)c(CCC(=O)[O-])c3C",
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        "id": "-2_16",
        "charge": -2,
        "smiles": "CC1=C(CCC(=O)[O-])c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CCC(=O)O)=C5C)c(CCC(=O)[O-])c4C)c(CCC(=O)O)c3C",
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        "id": "-2_17",
        "charge": -2,
        "smiles": "CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CCC(=O)[O-])c5C)c(CCC(=O)[O-])c4C)C(CCC(=O)O)=C3C",
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        "charge": -2,
        "smiles": "CC1=C(CCC(=O)[O-])c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)c(CCC(=O)O)c4C)C(CCC(=O)[O-])=C3C",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.13,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]