[
  {
    "molid": "mol20597",
    "smiles": "c1ccc(COc2noc3c2CNCC3)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(COc2noc3c2CNCC3)cc1",
        "std_free_energy": -4.602724075317383,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(COc2noc3c2C[NH2+]CC3)cc1",
        "std_free_energy": -6.827305793762207,
        "relative_population": 0.9929883706185895
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]