[
  {
    "molid": "mol13617",
    "smiles": "COc1cnccc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cnccc1N",
        "std_free_energy": -3.3791379928588867,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1c[nH+]ccc1N",
        "std_free_energy": -9.349145889282227,
        "relative_population": 0.6170575281337177
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cnccc1[NH3+]",
        "std_free_energy": -8.872068405151367,
        "relative_population": 0.38294247186628233
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.0299997,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]