pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	Datawarrior	1	0	Cc1cnc2cnc[nH+]c2n1,Cc1cnc2c[nH+]cnc2n1,Cc1c[nH+]c2cncnc2n1,Cc1cnc2cncnc2[nH+]1	Cc1cnc2cncnc2n1	mol4829	Cc1cnc2cncnc2n1
3.49000000953674	QSARToolbox	1	0	Cc1cnc2cnc[nH+]c2n1,Cc1cnc2c[nH+]cnc2n1,Cc1c[nH+]c2cncnc2n1,Cc1cnc2cncnc2[nH+]1	Cc1cnc2cncnc2n1	mol4829	Cc1cnc2cncnc2n1