[
  {
    "molid": "mol36256",
    "smiles": "CN(C)c1c(OS(=O)(=O)O)ccc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1c(OS(=O)(=O)O)ccc2ccccc12",
        "std_free_energy": -4.398413181304932,
        "relative_population": 0.284355585910091
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)c1c(OS(=O)(=O)[O-])ccc2ccccc12",
        "std_free_energy": -5.321371078491211,
        "relative_population": 0.715644414089909
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1c(OS(=O)(=O)[O-])ccc2ccccc12",
        "std_free_energy": -9.363924026489258,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.80000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]