[
  {
    "molid": "mol37387",
    "smiles": "O=S(=O)(O)c1cc(/N=N\\c2ccccn2)c(O)c2ccccc12",
    "microspecies": [
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "O=S(=O)(O)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12",
        "std_free_energy": -0.6750644445419312,
        "relative_population": 0.9949484446117862
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(/N=N/c2ccccn2)c(O)c2ccccc12",
        "std_free_energy": -7.724833011627197,
        "relative_population": 0.8907933854599287
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=S(=O)(O)c1cc(/N=N/c2ccccn2)c([O-])c2ccccc12",
        "std_free_energy": -5.5840744972229,
        "relative_population": 0.10472668909437464
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.89000010490417,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]