[
  {
    "molid": "mol19029",
    "smiles": "Cc1cccc(C)c1CNc1cccn2c(C)ncc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C)c1CNc1cccn2c(C)ncc12",
        "std_free_energy": -5.209344863891602,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1C[NH2+]c1cccn2c(C)ncc12",
        "std_free_energy": -4.723310470581055,
        "relative_population": 0.16935201122326987
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1CNc1cccn2c(C)[nH+]cc12",
        "std_free_energy": -6.313537120819092,
        "relative_population": 0.8306479887767301
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]