[
  {
    "molid": "mol19318",
    "smiles": "Cc1cc2nc(NC(=N)N)nc(C)c2cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2nc(NC(=N)N)nc(C)c2cc1C",
        "std_free_energy": -2.290485382080078,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2[nH+]c(NC(=N)N)nc(C)c2cc1C",
        "std_free_energy": -7.56336784362793,
        "relative_population": 0.16307241266702166
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc2nc(NC(N)=[NH2+])nc(C)c2cc1C",
        "std_free_energy": -8.852822303771973,
        "relative_population": 0.5920841747133277
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc2nc(NC(=N)N)[nH+]c(C)c2cc1C",
        "std_free_energy": -7.969792366027832,
        "relative_population": 0.24484341261965065
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]