[
  {
    "molid": "mol17575",
    "smiles": "Oc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F",
        "std_free_energy": -6.426208019256592,
        "relative_population": 0.9999996277235084
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F",
        "std_free_energy": -3.5825815200805664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]