[
  {
    "molid": "mol18746",
    "smiles": "O=C(O)c1cncnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1cnc[nH+]c1",
        "std_free_energy": -1.7836893796920776,
        "relative_population": 0.05784852217615007
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1cncnc1",
        "std_free_energy": -4.5740275382995605,
        "relative_population": 0.9421514778238499
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)c1cnc[nH+]c1",
        "std_free_energy": 7.401468753814697,
        "relative_population": 0.9959571463717496
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]