[
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    "molid": "mol35605",
    "smiles": "Cc1ccc(N(CCC(=O)O)CCC(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc([NH+](CCC(=O)[O-])CCC(=O)O)cc1",
        "std_free_energy": -5.6287384033203125,
        "relative_population": 0.9625716298936854
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        "smiles": "Cc1ccc(N(CCC(=O)O)CCC(O)=[OH+])cc1",
        "std_free_energy": 4.14350700378418,
        "relative_population": 0.37159047609582385
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        "id": "1_2",
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        "smiles": "Cc1ccc([NH+](CCC(=O)O)CCC(=O)O)cc1",
        "std_free_energy": 3.618107318878174,
        "relative_population": 0.6284095239041761
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        "id": "-1_1",
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        "std_free_energy": -11.358750343322754,
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        "id": "-2_1",
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        "smiles": "Cc1ccc(N(CCC(=O)[O-])CCC(=O)[O-])cc1",
        "std_free_energy": -7.890478134155273,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.99000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.96999979019165,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]