pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	Datawarrior	1	0	CCCCCCn1cc[nH+]c1	CCCCCCn1ccnc1	mol14147	CCCCCCn1ccnc1
7.1999998	OCHEM	1	0	CCCCCCn1cc[nH+]c1	CCCCCCn1ccnc1	mol14147	CCCCCCn1ccnc1
7.19999980926514	QSARToolbox	1	0	CCCCCCn1cc[nH+]c1	CCCCCCn1ccnc1	mol14147	CCCCCCn1ccnc1