[
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    "molid": "mol11751",
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    "microspecies": [
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        "smiles": "CCCC[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)[O-]",
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        "smiles": "CCCC[NH+](CC[NH+](CC(=O)[O-])CC(=O)O)CC(=O)O",
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        "id": "2_1",
        "charge": 2,
        "smiles": "CCCC[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O",
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        "smiles": "CCCC[NH+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "id": "-3_1",
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        "relative_population": 1.0
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        "id": "-1_5",
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        "smiles": "CCCC[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "id": "-1_6",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.04,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.64,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]