pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.99	Datawarrior	2	1	C[NH+](C)Cc1c[nH+]c2ccc(-c3ccccc3)nn12,C[NH+](C)Cc1cnc2ccc(-c3ccccc3)[nH+]n12	C[NH+](C)Cc1cnc2ccc(-c3ccccc3)nn12	mol15521	CN(C)Cc1cnc2ccc(-c3ccccc3)nn12
2.99000000953674	QSARToolbox	2	1	C[NH+](C)Cc1c[nH+]c2ccc(-c3ccccc3)nn12,C[NH+](C)Cc1cnc2ccc(-c3ccccc3)[nH+]n12	C[NH+](C)Cc1cnc2ccc(-c3ccccc3)nn12	mol15521	CN(C)Cc1cnc2ccc(-c3ccccc3)nn12