[
  {
    "molid": "mol37095",
    "smiles": "NC(=O)NNC(c1ccccc1)C(C=O)C=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)NN[C@@H](c1ccccc1)C(C=O)C=O",
        "std_free_energy": -5.609804153442383,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=O)N[NH2+][C@@H](c1ccccc1)C(C=O)C=O",
        "std_free_energy": 4.37187385559082,
        "relative_population": 0.48648797394662174
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NC(=O)NN[C@@H](c1ccccc1)C(C=O)C=[OH+]",
        "std_free_energy": 5.088429927825928,
        "relative_population": 0.23761604378375809
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "NC(=[OH+])NN[C@@H](c1ccccc1)C(C=O)C=O",
        "std_free_energy": 4.939062118530273,
        "relative_population": 0.27589598226962014
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]