pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	Baltruschat ChEMBL	1	0	N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCC[NH+]4CCOCC4)cc2-3)cn1	N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1	mol19079	N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1