pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	OCHEM	1	0	O=C(C1CCN(c2cc[nH+]cc2F)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,O=C(C1CC[NH+](c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,O=C(C1CCN(c2ccncc2F)CC1)N1CC[NH+](S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	O=C(C1CCN(c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	mol17103	O=C(C1CCN(c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1