[
  {
    "molid": "mol21644",
    "smiles": "CCCCCCCCCCCCCCCCCCNCC(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCCCCCCCNCC(F)(F)F",
        "std_free_energy": -5.980320930480957,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCCCCCCC[NH2+]CC(F)(F)F",
        "std_free_energy": -4.939488410949707,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]