pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	Datawarrior	2	1	Cc1ccc2c(c1)[C@@H](CC[NH3+])C[NH2+]2	Cc1ccc2c(c1)[C@@H](CC[NH3+])CN2	mol13750	Cc1ccc2c(c1)C(CCN)CN2
4.0999999	OCHEM	2	1	Cc1ccc2c(c1)[C@@H](CC[NH3+])C[NH2+]2	Cc1ccc2c(c1)[C@@H](CC[NH3+])CN2	mol13750	Cc1ccc2c(c1)C(CCN)CN2