[
  {
    "molid": "mol15147",
    "smiles": "COc1nc(-n2nc(C)cc2O)nc(C)c1C",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COc1nc(-n2nc(C)cc2O)nc(C)c1C",
        "std_free_energy": -6.320061206817627,
        "relative_population": 0.9597957514577232
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1nc(-n2nc(C)cc2[O-])nc(C)c1C",
        "std_free_energy": -4.145270347595215,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.6399999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]