[
  {
    "molid": "mol4774",
    "smiles": "CN1C(=O)c2nccnc2NC1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)c2nccnc2N[C@H]1O",
        "std_free_energy": -8.112369537353516,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN1C(=O)c2nccnc2[N-][C@H]1O",
        "std_free_energy": -2.6280336380004883,
        "relative_population": 0.9978444757590584
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]