pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.88	Datawarrior	1	0	CC[NH+](CC)N(C)C,CCN(CC)[NH+](C)C	CCN(CC)N(C)C	mol12457	CCN(CC)N(C)C
6.8800001	OCHEM	1	0	CC[NH+](CC)N(C)C,CCN(CC)[NH+](C)C	CCN(CC)N(C)C	mol12457	CCN(CC)N(C)C
6.76000022888184	QSARToolbox	1	0	CC[NH+](CC)N(C)C,CCN(CC)[NH+](C)C	CCN(CC)N(C)C	mol12457	CCN(CC)N(C)C