[
  {
    "molid": "mol19541",
    "smiles": "O=c1c(O)c(Nc2ccccc2)/c1=N/c1ccccc1O",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "O=c1c(O)c(Nc2ccccc2)/c1=N/c1ccccc1O",
        "std_free_energy": -5.557186126708984,
        "relative_population": 0.9998709083414433
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1c(O)c(Nc2ccccc2)/c1=N/c1ccccc1[O-]",
        "std_free_energy": -3.267504930496216,
        "relative_population": 0.2330807668516094
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=c1c([O-])c(Nc2ccccc2)/c1=N/c1ccccc1O",
        "std_free_energy": -4.458454132080078,
        "relative_population": 0.766882989703601
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]