[
  {
    "molid": "mol38244",
    "smiles": "O=S1(=O)OC(c2ccc(Nc3cccc(O)c3)cc2)(c2ccc(Nc3cccc(O)c3)cc2)c2ccccc21",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=S1(=O)OC(c2ccc(Nc3cccc(O)c3)cc2)(c2ccc(Nc3cccc(O)c3)cc2)c2ccccc21",
        "std_free_energy": -7.301934242248535,
        "relative_population": 0.9998769086083467
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S1(=O)OC(c2ccc(Nc3cccc([O-])c3)cc2)(c2ccc(Nc3cccc(O)c3)cc2)c2ccccc21",
        "std_free_energy": -0.7725046873092651,
        "relative_population": 0.9999198918978108
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7600002288818,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]