pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.77	IUPAC digitized pKa	1	0	c1ccc(-c2cc[nH+]cc2)nc1,c1ccc(-c2ccncc2)[nH+]c1	c1ccc(-c2ccncc2)nc1	mol3784	c1ccc(-c2ccncc2)nc1
4.37	OCHEM	1	0	c1ccc(-c2cc[nH+]cc2)nc1,c1ccc(-c2ccncc2)[nH+]c1	c1ccc(-c2ccncc2)nc1	mol3784	c1ccc(-c2ccncc2)nc1
4.76999998092651	QSARToolbox	1	0	c1ccc(-c2cc[nH+]cc2)nc1,c1ccc(-c2ccncc2)[nH+]c1	c1ccc(-c2ccncc2)nc1	mol3784	c1ccc(-c2ccncc2)nc1
1.19	IUPAC digitized pKa	2	1	c1ccc(-c2cc[nH+]cc2)[nH+]c1	c1ccc(-c2cc[nH+]cc2)nc1,c1ccc(-c2ccncc2)[nH+]c1	mol3784	c1ccc(-c2ccncc2)nc1
1.19000005722046	QSARToolbox	2	1	c1ccc(-c2cc[nH+]cc2)[nH+]c1	c1ccc(-c2cc[nH+]cc2)nc1,c1ccc(-c2ccncc2)[nH+]c1	mol3784	c1ccc(-c2ccncc2)nc1