pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.21	OCHEM	1	0	Cc1ccc(C(c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1,Cc1ccc(C(c2ccc(C)cc2)[NH+]2CCN(C)CC2)cc1	Cc1ccc(C(c2ccc(C)cc2)N2CCN(C)CC2)cc1	mol33198	Cc1ccc(C(c2ccc(C)cc2)N2CCN(C)CC2)cc1
8.21000003814697	QSARToolbox	1	0	Cc1ccc(C(c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1,Cc1ccc(C(c2ccc(C)cc2)[NH+]2CCN(C)CC2)cc1	Cc1ccc(C(c2ccc(C)cc2)N2CCN(C)CC2)cc1	mol33198	Cc1ccc(C(c2ccc(C)cc2)N2CCN(C)CC2)cc1