[
  {
    "molid": "mol2293",
    "smiles": "N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(N)(=O)=O)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(N)(=O)=O)c2c1",
        "std_free_energy": -6.195016860961914,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)[N-]S(N)(=O)=O)c2c1",
        "std_free_energy": -8.941664695739746,
        "relative_population": 0.9984752991225261
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]