pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	OCHEM	1	0	O=C1NC[C@]2(CCC[NH2+]C2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21	O=C1NC[C@]2(CCCNC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21	mol17845	O=C1NCC2(CCCNC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21