[
  {
    "molid": "mol32116",
    "smiles": "COc1cc2cc(N(C)C)nc(N)c2cc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2cc(N(C)C)nc(N)c2cc1OC",
        "std_free_energy": -3.2864043712615967,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2cc([NH+](C)C)nc(N)c2cc1OC",
        "std_free_energy": -6.575701713562012,
        "relative_population": 0.10398124224170857
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc2cc(N(C)C)[nH+]c(N)c2cc1OC",
        "std_free_energy": -7.935189723968506,
        "relative_population": 0.40492364975859596
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1cc2cc(N(C)C)nc([NH3+])c2cc1OC",
        "std_free_energy": -8.128129005432129,
        "relative_population": 0.4910951079996954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]