[
  {
    "molid": "mol17290",
    "smiles": "O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(O)c(F)c2)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(O)c(F)c2)n1",
        "std_free_energy": -6.151596546173096,
        "relative_population": 0.9985553475187574
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc([O-])c(F)c2)n1",
        "std_free_energy": -3.367659091949463,
        "relative_population": 0.5305779332913529
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(c1ccc(F)c([O-])c1)c1cccc(-c2ccc(O)c(F)c2)n1",
        "std_free_energy": -3.2451605796813965,
        "relative_population": 0.46940612896553807
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]