pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	1	0	N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCC[NH2+]3)cc2)cc1	N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3)cc2)cc1	mol16515	N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3)cc2)cc1