pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88	OCHEM	1	0	CN1C(=[OH+])CC[C@H]1c1cccnc1,CN1C(=O)CC[C@H]1c1ccc[nH+]c1	CN1C(=O)CC[C@H]1c1cccnc1	mol32917	CN1C(=O)CCC1c1cccnc1