[
  {
    "molid": "mol29788",
    "smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl",
        "std_free_energy": -4.552146911621094,
        "relative_population": 0.9996178095651542
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl",
        "std_free_energy": -10.082545280456543,
        "relative_population": 0.9999992170844895
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]