[
  {
    "molid": "mol20884",
    "smiles": "CCc1ccc(-n2c(Cl)cc3[nH]c(=O)c(-c4ccccc4)c(O)c32)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ccc(-n2c(Cl)cc3[nH]c(=O)c(-c4ccccc4)c(O)c32)cc1",
        "std_free_energy": -5.159631252288818,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1ccc(-n2c(Cl)cc3[nH]c(=O)c(-c4ccccc4)c([O-])c32)cc1",
        "std_free_energy": -3.853506088256836,
        "relative_population": 0.9629327211959201
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]