pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65	Datawarrior	2	1	CCCc1ccc([C@@H]2CCC[NH+]2C)c[nH+]1	CCCc1ccc([C@@H]2CCC[NH+]2C)cn1	mol15712	CCCc1ccc(C2CCCN2C)cn1
3.6500001	OCHEM	2	1	CCCc1ccc([C@@H]2CCC[NH+]2C)c[nH+]1	CCCc1ccc([C@@H]2CCC[NH+]2C)cn1	mol15712	CCCc1ccc(C2CCCN2C)cn1