[
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    "molid": "mol36590",
    "smiles": "NC(=S)NN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "NC(=S)N[NH+](CC(=O)[O-])CC(=O)O",
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        "smiles": "NC(=S)NN(CC(=O)O)CC(=O)O",
        "std_free_energy": -1.2022087574005127,
        "relative_population": 0.8976729578054367
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        "id": "1_4",
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        "smiles": "NC(=[SH+])N[NH+](CC(=O)[O-])CC(=O)O",
        "std_free_energy": 8.936877250671387,
        "relative_population": 0.34681420812384756
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.94000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]