pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.05	Datawarrior	1	0	Cc1cc(-c2ccccc2)nnc1NCC[NH+]1CCOCC1,Cc1cc(-c2ccccc2)nnc1[NH2+]CCN1CCOCC1	Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1	mol15025	Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
7.0500002	OCHEM	1	0	Cc1cc(-c2ccccc2)nnc1NCC[NH+]1CCOCC1,Cc1cc(-c2ccccc2)nnc1[NH2+]CCN1CCOCC1	Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1	mol15025	Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
4.0	Datawarrior	2	1	Cc1cc(-c2ccccc2)[nH+]nc1NCC[NH+]1CCOCC1,Cc1cc(-c2ccccc2)nnc1[NH2+]CC[NH+]1CCOCC1,Cc1cc(-c2ccccc2)n[nH+]c1NCC[NH+]1CCOCC1	Cc1cc(-c2ccccc2)nnc1NCC[NH+]1CCOCC1,Cc1cc(-c2ccccc2)nnc1[NH2+]CCN1CCOCC1	mol15025	Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1