[
  {
    "molid": "mol11694",
    "smiles": "O=c1[nH]c(=O)c2ncn(Cc3ccccc3)c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c(=O)c2ncn(Cc3ccccc3)c2[nH]1",
        "std_free_energy": -6.185369968414307,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c2c(ncn2Cc2ccccc2)c(=O)[nH]1",
        "std_free_energy": -7.037051200866699,
        "relative_population": 0.8994700427397035
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c2ncn(Cc3ccccc3)c2[nH]1",
        "std_free_energy": -4.845701217651367,
        "relative_population": 0.10052995726029644
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.81,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]