[
  {
    "molid": "mol18371",
    "smiles": "NC(=O)c1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)c1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(F)(F)F)cc1",
        "std_free_energy": -7.5756449699401855,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=O)c1ccc(CNC(=O)c2cnc([NH2+]c3cccc(Cl)c3)cc2C(F)(F)F)cc1",
        "std_free_energy": 2.5194251537323,
        "relative_population": 0.38433023065231575
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NC(=O)c1ccc(CNC(=O)c2c[nH+]c(Nc3cccc(Cl)c3)cc2C(F)(F)F)cc1",
        "std_free_energy": 2.0482165813446045,
        "relative_population": 0.6156697693476842
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]