pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Datawarrior	1	0	Cc1ccc([C@@H](OCC[NH+](C)C)c2ccccc2)cc1	Cc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1	mol14755	Cc1ccc(C(OCCN(C)C)c2ccccc2)cc1