[
  {
    "molid": "mol18365",
    "smiles": "Cc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1",
        "std_free_energy": -7.422353744506836,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(Cl)ccc1[NH2+]c1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1",
        "std_free_energy": 2.336088180541992,
        "relative_population": 0.4152471978846353
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)c[nH+]1",
        "std_free_energy": 1.9937729835510254,
        "relative_population": 0.5847528021153646
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]