pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	OCHEM	1	0	O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=[NH+]CCO3)cc2)CC1	O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1	mol17105	O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1