[
  {
    "molid": "mol19366",
    "smiles": "CCCNC1=NS(=O)(=O)c2c(Cl)cccc2N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCNC1=NS(=O)(=O)c2c(Cl)cccc2N1",
        "std_free_energy": -6.676580905914307,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCNC1=NS(=O)(=O)c2c(Cl)cccc2[N-]1",
        "std_free_energy": -0.0803491547703743,
        "relative_population": 0.9939045568048527
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]