[
  {
    "molid": "mol19028",
    "smiles": "Cc1cccc(C)c1CNc1nccn2c(C)c(C)cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C)c1CNc1nccn2c(C)c(C)cc12",
        "std_free_energy": -5.962837219238281,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1C[NH2+]c1nccn2c(C)c(C)cc12",
        "std_free_energy": -3.710447072982788,
        "relative_population": 0.3971278572193617
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1CNc1[nH+]ccn2c(C)c(C)cc12",
        "std_free_energy": -4.127893924713135,
        "relative_population": 0.6028721427806384
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]