[
  {
    "molid": "mol2883",
    "smiles": "CS(=O)(=O)c1ccc(-c2nc3c(c(=O)[nH]2)COCC3)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CS(=O)(=O)c1ccc(-c2nc3c(c(=O)[nH]2)COCC3)cc1",
        "std_free_energy": -6.4640278816223145,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CS(=O)(=O)c1ccc(-c2nc3c(c(=O)[n-]2)COCC3)cc1",
        "std_free_energy": -1.2512946128845215,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]