[
  {
    "molid": "mol14365",
    "smiles": "Oc1c(C(Nc2nc3ccccc3s2)c2ccccn2)ccc2cccnc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c([C@H](Nc2nc3ccccc3s2)c2ccccn2)ccc2cccnc12",
        "std_free_energy": 3.290410041809082,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Oc1c([C-]([N-]c2nc3ccccc3s2)c2ccccn2)ccc2cccnc12",
        "std_free_energy": 7.745413303375244,
        "relative_population": 0.9601030606324993
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.94,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]