[
  {
    "molid": "mol3025",
    "smiles": "O=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1cc(Cl)ccc1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1cc(Cl)ccc1[O-]",
        "std_free_energy": -2.088069200515747,
        "relative_population": 0.9729141345321491
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1[n-]c2cc(C(F)(F)F)ccc2n1Cc1cc(Cl)ccc1[O-]",
        "std_free_energy": 6.773856163024902,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.75,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Novartis"
      }
    ]
  }
]