[
  {
    "molid": "mol16249",
    "smiles": "CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)C2CCCCC2NS(=O)(=O)C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2NS(=O)(=O)C(F)(F)F)cc1",
        "std_free_energy": -5.268637657165527,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[N-]S(=O)(=O)C(F)(F)F)cc1",
        "std_free_energy": -5.7750091552734375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]