pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Datawarrior	0	-1	O=C(O)Cc1nnnn1-c1ccccc1	O=C([O-])Cc1nnnn1-c1ccccc1	mol15698	O=C(O)Cc1nnnn1-c1ccccc1
3.0999999	OCHEM	0	-1	O=C(O)Cc1nnnn1-c1ccccc1	O=C([O-])Cc1nnnn1-c1ccccc1	mol15698	O=C(O)Cc1nnnn1-c1ccccc1