[
  {
    "molid": "mol37937",
    "smiles": "O=C1/C(=N\\Nc2ccccc2C(=O)O)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1/C(=N\\Nc2ccccc2C(=O)O)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21",
        "std_free_energy": 0.21497118473052979,
        "relative_population": 0.9999924963042308
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C1/C(=N\\Nc2ccccc2C(=O)O)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -3.4261035919189453,
        "relative_population": 0.12055282082008416
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=C1/C(=N\\Nc2ccccc2C(=O)[O-])C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21",
        "std_free_energy": -5.154830455780029,
        "relative_population": 0.6791315623681886
      },
      {
        "id": "-1_9",
        "charge": -1,
        "smiles": "O=C1/C(=N\\Nc2ccccc2C(=O)O)C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)O)ccc21",
        "std_free_energy": -3.9137232303619385,
        "relative_population": 0.19631247351420134
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]