pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	0	-1	O=C(O)CCC(=O)NOCc1ccccc1	O=C([O-])CCC(=O)NOCc1ccccc1	mol11600	O=C(O)CCC(=O)NOCc1ccccc1
4.5999999	OCHEM	0	-1	O=C(O)CCC(=O)NOCc1ccccc1	O=C([O-])CCC(=O)NOCc1ccccc1	mol11600	O=C(O)CCC(=O)NOCc1ccccc1
10.2	Datawarrior	-1	-2	O=C([O-])CCC(=O)NOCc1ccccc1	O=C([O-])CCC(=O)[N-]OCc1ccccc1	mol11600	O=C(O)CCC(=O)NOCc1ccccc1