pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.05	IUPAC digitized pKa	1	0	c1cnc2c[nH+]ccc2n1,c1cc2ncc[nH+]c2cn1,c1cc2[nH+]ccnc2cn1	c1cc2nccnc2cn1	mol4694	c1cc2nccnc2cn1
2.5	IUPAC digitized pKa	1	0	c1cnc2c[nH+]ccc2n1,c1cc2ncc[nH+]c2cn1,c1cc2[nH+]ccnc2cn1	c1cc2nccnc2cn1	mol4694	c1cc2nccnc2cn1
2.42	IUPAC digitized pKa	1	0	c1cnc2c[nH+]ccc2n1,c1cc2ncc[nH+]c2cn1,c1cc2[nH+]ccnc2cn1	c1cc2nccnc2cn1	mol4694	c1cc2nccnc2cn1
2.57	IUPAC digitized pKa	1	0	c1cnc2c[nH+]ccc2n1,c1cc2ncc[nH+]c2cn1,c1cc2[nH+]ccnc2cn1	c1cc2nccnc2cn1	mol4694	c1cc2nccnc2cn1
2.4	OCHEM	1	0	c1cnc2c[nH+]ccc2n1,c1cc2ncc[nH+]c2cn1,c1cc2[nH+]ccnc2cn1	c1cc2nccnc2cn1	mol4694	c1cc2nccnc2cn1