[
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    "microspecies": [
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        "id": "3_3",
        "charge": 3,
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        "smiles": "Nc1nc[nH+]c2c1[nH+]cn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)O)[C@@H](O)[C@H]1O",
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        "id": "3_8",
        "charge": 3,
        "smiles": "N[C@@H](CCSC[C@H]1O[C@@H](n2c[nH+]c3c([NH3+])[nH+]c[nH+]c32)[C@H](O)[C@@H]1O)C(=O)[O-]",
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        "id": "3_9",
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        "id": "3_10",
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        "id": "3_12",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.95,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]