pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Datawarrior	1	0	CC(C)(C)c1cc[nH+]c(C(C)(C)C)c1	CC(C)(C)c1ccnc(C(C)(C)C)c1	mol13249	CC(C)(C)c1ccnc(C(C)(C)C)c1
6.6999998	OCHEM	1	0	CC(C)(C)c1cc[nH+]c(C(C)(C)C)c1	CC(C)(C)c1ccnc(C(C)(C)C)c1	mol13249	CC(C)(C)c1ccnc(C(C)(C)C)c1
6.69999980926514	QSARToolbox	1	0	CC(C)(C)c1cc[nH+]c(C(C)(C)C)c1	CC(C)(C)c1ccnc(C(C)(C)C)c1	mol13249	CC(C)(C)c1ccnc(C(C)(C)C)c1