pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.52	Datawarrior	0	-1	O=C1NCc2[nH]cnc2N1	O=C1NCc2[n-]cnc2N1	mol13153	O=C1NCc2[nH]cnc2N1
11.5200004577637	QSARToolbox	0	-1	O=C1NCc2[nH]cnc2N1	O=C1NCc2[n-]cnc2N1	mol13153	O=C1NCc2[nH]cnc2N1