[
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    "microspecies": [
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        "id": "-2_2",
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        "smiles": "O=C([O-])C[NH+](CCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "id": "-4_1",
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        "id": "-3_2",
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        "smiles": "O=C([O-])CN(CCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "id": "-1_2",
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        "smiles": "O=C([O-])C[NH+](CCCN(CC(=O)O)CC(=O)O)CC(=O)[O-]",
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        "relative_population": 0.17633563667260116
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        "id": "-1_4",
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        "relative_population": 0.11540300887093043
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        "id": "-1_5",
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        "smiles": "O=C([O-])C[NH+](CCC[NH+](CC(=O)[O-])CC(=O)O)CC(=O)[O-]",
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        "relative_population": 0.5058688907095709
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.9,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.02,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.8,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.27,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.46,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.23,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]