pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78	Datawarrior	1	0	N#CCc1ccc[nH+]c1	N#CCc1cccnc1	mol13589	N#CCc1cccnc1
4.07999992370606	QSARToolbox	1	0	N#CCc1ccc[nH+]c1	N#CCc1cccnc1	mol13589	N#CCc1cccnc1
3.49000000953674	QSARToolbox	1	0	N#CCc1ccc[nH+]c1	N#CCc1cccnc1	mol13589	N#CCc1cccnc1