[
  {
    "molid": "mol20193",
    "smiles": "Oc1ccccc1Nc1c2ccccc2nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1ccccc1Nc1c2ccccc2[nH+]c2ccccc12",
        "std_free_energy": -5.768972396850586,
        "relative_population": 0.7183048261781326
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1ccccc1Nc1c2ccccc2nc2ccccc12",
        "std_free_energy": -4.680793285369873,
        "relative_population": 0.2419460860615202
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccccc1[NH2+]c1c2ccccc2nc2ccccc12",
        "std_free_energy": -8.141671180725098,
        "relative_population": 0.336250804903307
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1ccccc1Nc1c2ccccc2[nH+]c2ccccc12",
        "std_free_energy": -8.821718215942383,
        "relative_population": 0.6637491950966179
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]