pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.35	Datawarrior	1	0	CC(C)(C)n1cc[nH+]c1	CC(C)(C)n1ccnc1	mol6653	CC(C)(C)n1ccnc1
7.3499999	OCHEM	1	0	CC(C)(C)n1cc[nH+]c1	CC(C)(C)n1ccnc1	mol6653	CC(C)(C)n1ccnc1
7.34999990463257	QSARToolbox	1	0	CC(C)(C)n1cc[nH+]c1	CC(C)(C)n1ccnc1	mol6653	CC(C)(C)n1ccnc1