[
  {
    "molid": "mol21859",
    "smiles": "COc1ccc(-c2nc3cc(C)ccc3[nH]2)c(OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2nc3cc(C)ccc3[nH]2)c(OC)c1",
        "std_free_energy": -5.70218563079834,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(-c2[nH]c3ccc(C)cc3[nH+]2)c(OC)c1",
        "std_free_energy": -4.39573335647583,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]