pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Baltruschat ChEMBL	2	1	O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH+](C2CC2)CC1	O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCN(C2CC2)CC1,O=C(c1ccc(CN2CCOCC2)cc1)N1CC[NH+](C2CC2)CC1	mol19194	O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1