[
  {
    "molid": "mol34276",
    "smiles": "O=C(O)CCNc1ccccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])CC[NH2+]c1ccccc1C(=O)O",
        "std_free_energy": -1.5082039833068848,
        "relative_population": 0.09034884445266726
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        "id": "0_2",
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        "smiles": "O=C(O)CC[NH2+]c1ccccc1C(=O)[O-]",
        "std_free_energy": -2.7880423069000244,
        "relative_population": 0.3248997102534511
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        "id": "0_3",
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        "smiles": "O=C(O)CCNc1ccccc1C(=O)O",
        "std_free_energy": -3.3757126331329346,
        "relative_population": 0.5847514452938816
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)CCNc1ccccc1C(O)=[OH+]",
        "std_free_energy": 8.258818626403809,
        "relative_population": 0.10923706622498257
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C(O)CC[NH2+]c1ccccc1C(=O)O",
        "std_free_energy": 6.2127275466918945,
        "relative_population": 0.8452323159783033
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.29999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]