pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.27	Baltruschat ChEMBL	2	1	CON1CCN/C1=[NH+]/c1ccc(C(=O)Nc2ccc(/[NH+]=C3\NCCN3OC)cc2)cc1	CON1CCN/C1=[NH+]/c1ccc(C(=O)Nc2ccc(/N=C3\NCCN3OC)cc2)cc1,CON1CCN/C1=N/c1ccc(C(=O)Nc2ccc(/[NH+]=C3\NCCN3OC)cc2)cc1	mol18471	CON1CCN/C1=N/c1ccc(C(=O)Nc2ccc(/N=C3\NCCN3OC)cc2)cc1