pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	IUPAC digitized pKa	1	0	Cc1cccc2[nH+]cccc12	Cc1cccc2ncccc12	mol4452	Cc1cccc2ncccc12
4.62	IUPAC digitized pKa	1	0	Cc1cccc2[nH+]cccc12	Cc1cccc2ncccc12	mol4452	Cc1cccc2ncccc12
5.0	Datawarrior	1	0	Cc1cccc2[nH+]cccc12	Cc1cccc2ncccc12	mol4452	Cc1cccc2ncccc12
4.91	OCHEM	1	0	Cc1cccc2[nH+]cccc12	Cc1cccc2ncccc12	mol4452	Cc1cccc2ncccc12