[
  {
    "molid": "mol22762",
    "smiles": "Nc1cccc(C(=O)O)c1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "[NH3+]c1cccc(C(=O)O)c1C(=O)[O-]",
        "std_free_energy": -0.9732884764671326,
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        "smiles": "Nc1cccc(C(=O)O)c1C(=O)O",
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        "smiles": "[NH3+]c1cccc(C(=O)O)c1C(=O)O",
        "std_free_energy": 8.621452331542969,
        "relative_population": 1.0
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        "smiles": "Nc1cccc(C(=O)O)c1C(=O)[O-]",
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        "smiles": "Nc1cccc(C(=O)[O-])c1C(=O)[O-]",
        "std_free_energy": -11.147713661193848,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.525,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 1.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
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        "pka_value": 5.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]