[
  {
    "molid": "mol16818",
    "smiles": "Cc1csc(NC(=O)c2nc(C)cc3cc[nH]c23)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1csc(NC(=O)c2nc(C)cc3cc[nH]c23)n1",
        "std_free_energy": -6.468177795410156,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2cc[nH]c2c(C(=O)Nc2[nH+]c(C)cs2)n1",
        "std_free_energy": -0.6690690517425537,
        "relative_population": 0.5542582408914002
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1csc(NC(=O)c2[nH+]c(C)cc3cc[nH]c23)n1",
        "std_free_energy": -0.45117810368537903,
        "relative_population": 0.44574175910859987
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]