pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	IUPAC digitized pKa	1	0	Cc1cccc2cc3ccccc3[nH+]c12	Cc1cccc2cc3ccccc3nc12	mol8380	Cc1cccc2cc3ccccc3nc12
4.5	Datawarrior	1	0	Cc1cccc2cc3ccccc3[nH+]c12	Cc1cccc2cc3ccccc3nc12	mol8380	Cc1cccc2cc3ccccc3nc12