pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Baltruschat ChEMBL	0	-1	O=C1NC(=O)[C@H](c2ccccc2)O1	O=C1[N-]C(=O)[C@H](c2ccccc2)O1,O=c1[nH]c(=O)[c-](-c2ccccc2)o1	mol16236	O=C1NC(=O)C(c2ccccc2)O1
5.46000003814697	QSARToolbox	0	-1	O=C1NC(=O)[C@H](c2ccccc2)O1	O=C1[N-]C(=O)[C@H](c2ccccc2)O1,O=c1[nH]c(=O)[c-](-c2ccccc2)o1	mol16236	O=C1NC(=O)C(c2ccccc2)O1