pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.15	Datawarrior	1	0	CCCn1cc[nH+]c1C=O	CCCn1ccnc1C=O	mol12998	CCCn1ccnc1C=O
5.1500001	OCHEM	1	0	CCCn1cc[nH+]c1C=O	CCCn1ccnc1C=O	mol12998	CCCn1ccnc1C=O
5.15000009536743	QSARToolbox	1	0	CCCn1cc[nH+]c1C=O	CCCn1ccnc1C=O	mol12998	CCCn1ccnc1C=O