pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Baltruschat ChEMBL	1	0	C[NH+](C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1	CN(C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1	mol20530	CN(C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1
9.60000038146973	QSARToolbox	1	0	C[NH+](C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1	CN(C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1	mol20530	CN(C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1