pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.92	Datawarrior	1	0	CC[NH+](CC)CC(=O)Nc1cc(C)ccc1C	CCN(CC)CC(=O)Nc1cc(C)ccc1C	mol15240	CCN(CC)CC(=O)Nc1cc(C)ccc1C
7.9200001	OCHEM	1	0	CC[NH+](CC)CC(=O)Nc1cc(C)ccc1C	CCN(CC)CC(=O)Nc1cc(C)ccc1C	mol15240	CCN(CC)CC(=O)Nc1cc(C)ccc1C