pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.38000011444092	QSARToolbox	2	1	Cc1ccccc1C(=[NH+]CCC[NH+](C)C)c1cccc(C(F)(F)F)c1	Cc1ccccc1C(=NCCC[NH+](C)C)c1cccc(C(F)(F)F)c1,Cc1ccccc1C(=[NH+]CCCN(C)C)c1cccc(C(F)(F)F)c1	mol36238	Cc1ccccc1C(=NCCCN(C)C)c1cccc(C(F)(F)F)c1