pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.06	IUPAC digitized pKa	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.25	IUPAC digitized pKa	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.4	IUPAC digitized pKa	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.28	IUPAC digitized pKa	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.34	Datawarrior	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.3399999	OCHEM	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.27999997138977	QSARToolbox	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.42000007629395	QSARToolbox	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.59999990463257	QSARToolbox	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
3.40000009536743	QSARToolbox	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1