[
  {
    "molid": "mol16271",
    "smiles": "c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nnn[nH]5)cc4)c3c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nnn[nH]5)cc4)c3c2)cc1",
        "std_free_energy": -5.372124671936035,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nnn[n-]5)cc4)c3c2)cc1",
        "std_free_energy": -9.48708724975586,
        "relative_population": 0.9999931682105185
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]