[
  {
    "molid": "mol2959",
    "smiles": "N#Cc1csc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1csc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1",
        "std_free_energy": -5.983061790466309,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1csc(NC(=O)[N-]c2ccc(Cl)c(Cl)c2)n1",
        "std_free_energy": -0.8740599751472473,
        "relative_population": 0.08133116291136738
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N#Cc1csc([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)n1",
        "std_free_energy": -3.2984564304351807,
        "relative_population": 0.9186688370886326
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]