[
  {
    "molid": "mol16311",
    "smiles": "FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12",
        "std_free_energy": -6.9012556076049805,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "FC(F)(F)c1c([NH+]2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12",
        "std_free_energy": -2.5693764686584473,
        "relative_population": 0.9918348099592832
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]