[
  {
    "molid": "mol33994",
    "smiles": "Cc1cc2c(cc1C)N(C)c1[nH]c(=O)n(CCCS(=O)(=O)O)c(=O)c1N2",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc2c(cc1C)N(C)c1[nH]c(=O)n(CCCS(=O)(=O)[O-])c(=O)c1N2",
        "std_free_energy": -9.859467506408691,
        "relative_population": 0.992758462295054
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc2c(cc1C)N(C)c1[n-]c(=O)n(CCCS(=O)(=O)[O-])c(=O)c1N2",
        "std_free_energy": -2.8494622707366943,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3899998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]