pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	IUPAC digitized pKa	1	0	c1ccc(CC[C@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1	c1ccc(CC[C@H](NCc2ccccc2)c2ccccc2)cc1	mol3499	c1ccc(CCC(NCc2ccccc2)c2ccccc2)cc1