pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	OCHEM	2	1	CCCOC/C(=[NH+]\c1ccc(Cl)cc1C(F)(F)F)n1cc[nH+]c1	CCCOC/C(=[NH+]\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1,CCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1cc[nH+]c1	mol31782	CCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1