pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.47	IUPAC digitized pKa	1	0	COc1[nH+]cnc2c1cnn2C,COc1ncnc2c1c[nH+]n2C,COc1nc[nH+]c2c1cnn2C	COc1ncnc2c1cnn2C	mol4953	COc1ncnc2c1cnn2C
2.51	Datawarrior	1	0	COc1[nH+]cnc2c1cnn2C,COc1ncnc2c1c[nH+]n2C,COc1nc[nH+]c2c1cnn2C	COc1ncnc2c1cnn2C	mol4953	COc1ncnc2c1cnn2C
2.50999999046326	QSARToolbox	1	0	COc1[nH+]cnc2c1cnn2C,COc1ncnc2c1c[nH+]n2C,COc1nc[nH+]c2c1cnn2C	COc1ncnc2c1cnn2C	mol4953	COc1ncnc2c1cnn2C