[
  {
    "molid": "mol16997",
    "smiles": "CCN(CC)CCCN1c2cc(F)ccc2CCc2ccc(F)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)CCCN1c2cc(F)ccc2CCc2ccc(F)cc21",
        "std_free_energy": -1.1098392009735107,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](CC)CCCN1c2cc(F)ccc2CCc2ccc(F)cc21",
        "std_free_energy": -9.727741241455078,
        "relative_population": 0.9588311333073862
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]