pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.26	IUPAC digitized pKa	1	0	COc1ccc2c(c1)NCC[NH2+]2,COc1ccc2c(c1)[NH2+]CCN2	COc1ccc2c(c1)NCCN2	mol4681	COc1ccc2c(c1)NCCN2
5.2600002	OCHEM	1	0	COc1ccc2c(c1)NCC[NH2+]2,COc1ccc2c(c1)[NH2+]CCN2	COc1ccc2c(c1)NCCN2	mol4681	COc1ccc2c(c1)NCCN2
1.93	IUPAC digitized pKa	2	1	COc1ccc2c(c1)[NH2+]CC[NH2+]2	COc1ccc2c(c1)NCC[NH2+]2,COc1ccc2c(c1)[NH2+]CCN2	mol4681	COc1ccc2c(c1)NCCN2
1.92999994754791	QSARToolbox	2	1	COc1ccc2c(c1)[NH2+]CC[NH2+]2	COc1ccc2c(c1)NCC[NH2+]2,COc1ccc2c(c1)[NH2+]CCN2	mol4681	COc1ccc2c(c1)NCCN2