[
  {
    "molid": "mol19030",
    "smiles": "Cc1cccc(C)c1COc1cccn2c(C)c(C)nc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C)c1COc1cccn2c(C)c(C)nc12",
        "std_free_energy": -4.613827705383301,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1COc1cccn2c(C)c(C)[nH+]c12",
        "std_free_energy": -5.0265727043151855,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.41,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]