pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Datawarrior	1	0	O=Cc1ccc2ccccc2[nH+]1	O=Cc1ccc2ccccc2n1	mol12828	O=Cc1ccc2ccccc2n1
3.0999999	OCHEM	1	0	O=Cc1ccc2ccccc2[nH+]1	O=Cc1ccc2ccccc2n1	mol12828	O=Cc1ccc2ccccc2n1