[
  {
    "molid": "mol21448",
    "smiles": "COc1ccc(N(Cc2nnn[nH]2)Cc2ccc(F)cc2F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(N(Cc2nnn[nH]2)Cc2ccc(F)cc2F)cc1",
        "std_free_energy": -7.300802707672119,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(N(Cc2nnn[n-]2)Cc2ccc(F)cc2F)cc1",
        "std_free_energy": -6.209183216094971,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]