pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.76	Datawarrior	0	-1	O=C(O)c1ccnc2ccccc12,O=C([O-])c1cc[nH+]c2ccccc12	O=C([O-])c1ccnc2ccccc12	mol13799	O=C(O)c1ccnc2ccccc12
4.7600002	OCHEM	0	-1	O=C(O)c1ccnc2ccccc12,O=C([O-])c1cc[nH+]c2ccccc12	O=C([O-])c1ccnc2ccccc12	mol13799	O=C(O)c1ccnc2ccccc12
4.73999977111816	QSARToolbox	0	-1	O=C(O)c1ccnc2ccccc12,O=C([O-])c1cc[nH+]c2ccccc12	O=C([O-])c1ccnc2ccccc12	mol13799	O=C(O)c1ccnc2ccccc12