[
  {
    "molid": "mol14711",
    "smiles": "COc1ccc(-c2nc3cnccc3n2C)c(OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2nc3cnccc3n2C)c(OC)c1",
        "std_free_energy": -5.415750503540039,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(-c2nc3c[nH+]ccc3n2C)c(OC)c1",
        "std_free_energy": -3.6279330253601074,
        "relative_population": 0.34972931520023176
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc(-c2[nH+]c3cnccc3n2C)c(OC)c1",
        "std_free_energy": -4.248162269592285,
        "relative_population": 0.6502706847997681
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.1599998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]