%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% molecular library file    main_lib.mcf   by Akira Yamaji   2026.06.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%  must use version 5.32
%  tag1:var1;tag2:var2;tag3:var3 .....
%  first character of line "%" comment out
%  first character of line ":"  start MCF
%  first character of line "="  start parameter setting
%  first character of line "*"  start ext(...)
%  first character of line "+"  start add(...)
%  first character of line ";"  stop MCF
%  CAT = CATegory,EN = Name,MW = Molecular weight
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%==============================================================================
CAT:nucleic acid;EN:Adenine;MW:135.13;LV:-
=
  sw_frame:=Atom;
:
 ^30,?6,3=?5,1'3'5'9=db,2'6'9:N,5:/NH2,7:NH
*
 defaultscale:=.5;
 label.bot(decimal(fig_num)&":"&EN,(.5w,0));
+
 defaultscale:=.3;
 label.bot("A2",A2) withcolor red;
 label.top("A6",A6) withcolor red;
 label.top("A9",A9) withcolor red;
;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%  prototype mcf lines (LV:0)                                               %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
CAT:nucleic acid;EN:Adenine;MW:135.13;LV:0
:
^30,Ph,3=?5,9=db,2'6'9:N,5:/NH2,7:NH
;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%------------------------------------------------------------------------------
CAT:nucleic acid;EN:Adenine;MW:135.13;LV:1
:
^30,Ph,3=?5,9=db,2'6'9:N,5:/NH2,7:NH
;
%------------------------------------------------------------------------------
CAT:nucleic acid;EN:Guanine;MW:151.13;LV:1
:
^30,?6,3=?5,1'3'9=db,2'9:N,6'7:NH,5:?O,1:/NH2
;
%------------------------------------------------------------------------------
CAT:nucleic acid;EN:Cytosine;MW:111.10;LV:1
:
^30,?6,4'6=db,4:N,3:?O,2:NH,5:/NH2
;
%------------------------------------------------------------------------------
CAT:nucleic acid;EN:Thymine;MW:126.11;LV:1
:
^30,?6,3=db,2'6:NH,1'5:?O,4:?
;
%------------------------------------------------------------------------------
CAT:nucleic acid;EN:Uracil;MW:112.09;LV:1
:
^30,?6,6=db,3'5:?O,2'4:NH
;
%== Amino acid ================================================================
CAT:amino acid;EN:Glycine;MW:75.07;LV:1
:
^30,NH2,!2,COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Alanine;MW:89.10;LV:1
:
^30,NH2,!wb,?!,COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Valine;MW:117.15;LV:1
:
^30,NH2,!wb,/?!,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Leucine;MW:131.16;LV:1
:
^30,NH2,!wb,/!?!,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Isoleucine;MW:131.16;LV:1
:
^30,NH2,!wb,/?z'!2,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Serine;MW:105.09;LV:1
:
^30,NH2,!wb,/!OH,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Threonine;MW:119.12;LV:1
:
^30,NH2,!wb,/?'!w'OH,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Cysteine;MW:121.16;LV:1
:
^30,NH2,!wb,/!SH,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Methionine;MW:149.21;LV:1
:
^30,NH2,!wb,/!2'S!,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Phenylalanine;MW:165.19;LV:1
:
^30,NH2,!wb,/!Ph,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Tyrosine;MW:181.19;LV:1
:
^30,NH2,!wb,/!Ph'5:/OH,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Triptophan;MW:204.21;LV:1
:
^30,NH2,!wb,!COOH,2:,!2,^24,<?5,2=dr,5=dl,2=Ph,4:NH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Proline;MW:115.13;LV:1
:
^18,?5,3:NH,4:*/COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Glutamine;MW:146.15;LV:1
:
^30,NH2,!wb,!COOH,2:,!2`1,!?O!,NH2
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Asparagine;MW:132.12;LV:1
:
^30,NH2,!wb,/!?O!'NH2,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Aspartic acid;MW:133.10;LV:1
:
^30,NH2,!wb,/!COOH,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Glutamic acid;MW:147.13;LV:1
:
^30,NH2,!wb,/!2'COOH,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Lysine;MW:146.19;LV:1
:
^30,NH2,!wb,/!4'NH2,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Arginine;MW:174.21;LV:1
:
^30,NH2,!wb,!COOH,2:,!2`1,!2,NH!,?NH,!NH2
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Hystidine;MW:155.16;LV:1
:
^30,NH2,!wb,!COOH,2:,!2,<?5,1'3=dl,3:N,5:NH
;
%==============================================================================
CAT:amino acid;EN:L-DOPA;MW:197.19;LV:1
:
^30,NH2,!wb,/!Ph'(4'5:/OH),!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:Ornithine;MW:132.16;LV:1
:
^30,NH2,!wb,/!3'NH2,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:Citrulline;MW:175.2;LV:1
:
^30,NH2,!wb,/!3'NH!'?O!'NH2,!COOH
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:GABA;MW:103.12;LV:1
:
^30,NH2,!4,COOH
;
%==============================================================================
CAT:biological;EN:Citrate;MW:192.12;LV:1
:
^30,COOH,!2,/COOH^30,/OH^-30,!2,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:cis-Aconitate;MW:174.11;LV:1
:
^30,COOH,!2,/COOH,!d,60,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Isocitrate;MW:192.12;LV:1
:
^30,COOH,!4,COOH,3:/COOH,4:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Oxalosuccinate;MW:190.11;LV:1
:
^30,COOH,!2,/COOH,!?O!,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:alfa-Ketoglutarate;MW:146.1;LV:1
:
^30,COOH,!3,?O!,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Succinate;MW:118.09;LV:1
:
^30,COOH,!3,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Fumarate;MW:116.07;LV:1
:
^30,COOH,!!d,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Malate;MW:134.09;LV:1
:
^30,COOH,!3,COOH,3:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Oxaloacetate;MW:132.07;LV:1
:
^30,COOH,!,?O!2,COOH
;
%==============================================================================
CAT:sugar;EN:Glucose 1;MW:180.16;LV:1
:
^30,?6,5:O,2:*/OH,1'3:/*OH,4:*/*OH,6:*/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Glucose 2;MW:180.16;LV:1
:
^-30,OH,!2,*/OH,!,/*OH,!,/*OH,!,/*OH,!?O!,H
;
%------------------------------------------------------------------------------
CAT:sugar;EN:D-Glucose;MW:180.16;LV:1
:
hexose_hp,`.5,1^$270'2^$90'3^$270'4^$270:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Fructose 1;MW:180.16;LV:1
:
^30,OH,!2,/*OH,!,*/OH,!,*/OH,!,?O!2,OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Fructose 2;MW:180.16;LV:1
:
^-18,?5,5:O,1^-48:*/*!OH,1^48:/OH,*2'3:*/OH,4:/*!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:D-Fluctose;MW:180.16;LV:1
:
Pyranose_hp,`.5,1^$270:/OH,2^$270'3^$90:/OH,1^$90'4^$270:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:D-Galactose;MW:180.16;LV:1
:
hexose_hp,`.5,1^$90'2^$90'3^$270'4^$270:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:D-Mannose;MW:180.16;LV:1
:
hexose_hp,`.5,1^$270'2^$90'3^$90'4^$270:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:L-Fucose;MW:164.16;LV:1
:
hexose_hp,`.5,1^$270'2^$270'3^$90'4^$90:/OH,6^$270:?
;
%------------------------------------------------------------------------------
CAT:sugar;EN:D-Ribose;MW:150.13;LV:1
:
Pyranose_hp,`.5,2^$270'3^$270'4^$90:/OH,1^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:D-Deoxyribose;MW:134.13;LV:1
:
Pyranose_hp,`.5,2^$270'4^$90:/OH,1^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:D-Glucosamine;MW:179.17;LV:1
:
hexose_hp,`.5,1^$270'2^$90'4^$270:/OH,3^$270:/NH2,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:N-acetyl-Glucosamine;MW:221.21;LV:1
:
hexose_hp,`.5,1^$270'2^$90'4^$270:/OH,3^$270^lr:/NH!'?O!,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Glucuronic acid;MW:194.14;LV:1
:
hexose_hp,`.5,1^$270'2^$90'3^$270'4^$270:/OH,6^$90:/COOH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Maltose;MW:342.3;LV:1
:
hexose_hp,`.5,1^$270'2^$90'3^$270:/OH,6^$90:/!OH,`,
 4:,$310~arc_lb`1,O,$50~arc_br`1,^$0,
 <hexose_hp,`.5,2^$90'3^$270'4^$270:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Sucrose;MW:342.3;LV:9
:
hexose_hp,`.5,1^$270'2^$90'3^$270:/OH,6^$90:/!OH,`,
 4:,$310~arc_lb`1,O,$50~arc_br`1,^$0,
 <Pyranose_hp,`.5,2^$270'3^$90:/OH,1^$90'4^$270:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Lactose;MW:342.3;LV:1
:
hexose_hp,`.5,1^$90'2^$90'3^$270:/OH,6^$90:/!OH,`,
 4:,$0~arc_ltr,O,$0~arc_lbr,
 <hexose_hp,`.5,2^$90'3^$270'4^$270:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Cellobiose;MW:342.3;LV:1
:
hexose_hp,`.5,1^$270'2^$90'3^$270:/OH,6^$90:/!OH,`,
 4:,$0~arc_lbr,O,$0~arc_ltr,
 <hexose_hp,`.5,2^$90'3^$270'4^$270:/OH,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:sugar;EN:Trehalose;MW:342.3;LV:1
:
hexose_hp,`.5,1^$270'2^$90'3^$270:/OH,6^$90:/!OH,`,
 4:,(1'0):,<hexose_hp,`.5,1^$270'2^$90'3^$270:/OH,6^$90:/!OH,`,
 $4:,$323~arc_lb`3.25,O,:4~arc_br
;
%==============================================================================
CAT:biological;EN:Geraniol;MW:154.25;LV:1
:
^30,!8,OH,2'6=dr,2'6:?
;
%------------------------------------------------------------------------------
CAT:biological;EN:Limonene;MW:136.24;LV:1
:
^30,?6,2=dl,2:?,5:*/?!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:l-Menthol;MW:156.27;LV:1
:
^30,?6,2:/*?!,5:?w,3:*/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Allicin;MW:162.28;LV:1
:
^-30,!d,!2,S?O,!S,!2,!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:Benzoic acid;MW:122.12;LV:1
:
^30,Ph,3:/COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Gallic acid;MW:170.12;LV:1
:
^30,Ph,3:/COOH,1'5'6:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Salicylic acid;MW:138.12;LV:1
:
^30,Ph,3:/COOH,4:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cinnamic acid;MW:148.16;LV:1
:
^30,Ph,3:/!dr'!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cinnamaldehyde;MW:132.16;LV:1
:
^30,Ph,3:/!dr'!CHO
;
%------------------------------------------------------------------------------
CAT:biological;EN:Caffeic acid;MW:180.16;LV:1
:
^30,Ph,1'6:/OH,3:/!d'!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Vanillin;MW:152.15;LV:1
:
^30,Ph,1:/OH,6:/O!,4:/CHO
;
%------------------------------------------------------------------------------
CAT:biological;EN:alfa-Terpinene;MW:136.24;LV:1
:
^30,?6,3:/?!,6:?,3'5=db
;
%------------------------------------------------------------------------------
CAT:biological;EN:beta-Terpinene;MW:136.24;LV:1
:
^30,?6,3:/?!,6:?d,3=db
;
%------------------------------------------------------------------------------
CAT:biological;EN:gamma-Terpinene;MW:136.24;LV:1
:
^30,?6,3:/?!,6:?,3'6=db
;
%------------------------------------------------------------------------------
CAT:biological;EN:delta-Terpinene;MW:136.24;LV:1
:
^30,?6,3://?!,6:?,5=db
;
%------------------------------------------------------------------------------
CAT:biological;EN:Eugenol;MW:164.20;LV:1
:
^30,Ph,1:/OH,6:/O!,4:/!'!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:Thymol;MW:150.22;LV:1
:
^30,Ph,4:/OH,3:/?!,6:?
;
%------------------------------------------------------------------------------
CAT:biological;EN:Anisaldehyde;MW:136.15;LV:1
:
^30,Ph,4:/CHO,1:/O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Benzaldehyde;MW:106.12;LV:1
:
^30,Ph,4:/CHO
;
%------------------------------------------------------------------------------
CAT:biological;EN:gamma-Nonalactone;MW:156.23;LV:1
:
^18,?5,2:O,1:?O,3^-12:/!4
;
%------------------------------------------------------------------------------
CAT:biological;EN:gamma-Undecalactone;MW:184.27;LV:1
:
^18,?5,2:O,1:?O,3^-12:/!6
;
%------------------------------------------------------------------------------
CAT:biological;EN:Muscone;MW:238.40;LV:1
:
^-72,`1,60,-48,60,60,-48,60,60,-48,60,60,-48,60,60,-48,`,:1,9:?O,7:?
;
%------------------------------------------------------------------------------
CAT:biological;EN:alfa-Pinene;MW:136.24;LV:1
:
^30,?6,3:??,5:?,5=db,2:,180~zf`1,:4~zb
;
%------------------------------------------------------------------------------
CAT:biological;EN:beta-Pinene;MW:136.24;LV:1
:
^30,?6,3:??,5:?d,2:,180~zf`1,:4~zb
;
%------------------------------------------------------------------------------
CAT:biological;EN:Neral;MW:152.24;LV:1
:
^30,!?,!d,!3,?,!d,-60,CHO
;
%------------------------------------------------------------------------------
CAT:biological;EN:Geranial;MW:152.24;LV:1
:
^30,!?,!d,!3,?,!d,!,CHO
;
%------------------------------------------------------------------------------
CAT:biological;EN:p-Cymene;MW:134.21;LV:1
:
^30,Ph,4:/?!,1:?
;
%------------------------------------------------------------------------------
CAT:biological;EN:Benzyl-acetate;MW:150.18;LV:1
:
%%%^30,Ph,4:/!O!'?O!
^30,Ph,4:,!2,O!,?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Benzyl-benzoate;MW:212.25;LV:1
:
^30,Ph,4:,!?O!,O!,!,Ph
;
%------------------------------------------------------------------------------
CAT:biological;EN:Stearic acid;MW:284.48;LV:1
:
^30,!17,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Linoleic acid;MW:280.45;LV:1
:
^30,!5,-30,-30,!,-30,-30,!7,COOH,6'9=dr
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sphingosine;MW:299.50;LV:1
:
^30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Tocopherol;MW:430.717;LV:1
:
^30,Ph,3=?6,7:O,1'2'5:?,8:?z^60,6:/OH,8:,!,<!12,4'8:?z,12:?
;
%------------------------------------------------------------------------------
CAT:biological;EN:Thiamine;MW:265.35;LV:1
:
^30,Ph,4:/NH2,3:,!`1,!,^-12,?5,-1'-4=dl,1'5'8:N,11:S,6'9:?,
 -3^-12:/!2'OH,8:p^72
;
%------------------------------------------------------------------------------
CAT:biological;EN:Riboflavin;MW:376.37;LV:1
:
^30,Ph,3'9=?6,8'16=dl,7'10'14:N,12:NH,11'13:?O,1'6:?,
 10:,!`1.5,!,*/OH,!,/*OH,!,*/OH,!2,OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Nicotinic acid;MW:123.11;LV:1
:
^30,Ph,2:N,4:/COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Nicotinamide;MW:122.12;LV:1
:
^30,Ph,2:N,4:/?O'!NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pantothenic acid;MW:219.23;LV:1
:
^30,OH,!8,COOH,3:??,4^35:/*H,4^-20:*/OH,5:?O,6:NH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pyridoxine;MW:169.18;LV:1
:
^30,Ph,2:N,3:?,4:/OH,5'6:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Biotin;MW:244.31;LV:1
:
^18,?5,4=?5,2:S,6'8:NH,7:?O,4^-54'5^54:*/H,3^-12:/*!4'COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Folic acid;MW:441.3975;LV:1
:
^30,?6,3=Ph2,1=dl,2'7'10:N,6:NH,5:?O,1:/NH2,
 9:,!,!NH!,Ph,-3:,!?O,!NH!,/*COOH,!3,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Carotene;MW:536.8726;LV:1
:
^30,?6,4:,!19,?6,8'10'12'14'16'18'20'22'24=dr,5'9'13'18'22'-5:?,4'-6=dl,3'-1:??
;
%------------------------------------------------------------------------------
CAT:biological;EN:Adrenalin;MW:183.21;LV:1
:
^30,Ph,1'6:/OH,4:,!,*/OH,!2,NH!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Caffeine;MW:194.194;LV:1
:
^30,?6,3=dl,1'5:?O,3=?5,8=dl,7:N,2'6'9:N?
;
%------------------------------------------------------------------------------
CAT:biological;EN:Nicotine;MW:162.23;LV:1
:
^30,Ph,2:N,4:/?5'2:N?
;
%------------------------------------------------------------------------------
CAT:biological;EN:Capsaicin;MW:305.418;LV:1
:
^30,Ph,1:/OH,6:/O!,4:,!,!NH!,?O,!7,?!,-3=dl
;
%------------------------------------------------------------------------------
CAT:biological;EN:Gibberellin A3;MW:346.379;LV:1
:
^18,?5,3=?7,5=`1.2'?6,8:,160`1.3,:3,13=dl,6=wf,8=wb,
 5:,40~zf`1,O,50,?O^180,:14~zb,2:/COOH,7:?d,*8'13:*/OH,14:?w,1'4:*/H^60
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cholesterol;MW:386.664;LV:1
:
^30,?6,-4'-2=?6,-4=?5,7=dl,
 1:*/OH,4'12:?w^60,*9^60'10^180'11^-60'-1^-60:/*H,-1:,17,?z,!4,?!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Resveratrol;MW:228.24;LV:1
:
^30,Ph,4:,!,!d!,Ph,2'6'-3:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Glutathione;MW:307.33;LV:1
:
^-30,COOH,!,/*NH2,!3,?O,!NH!,*/!SH,!?O!,NH,!2,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Trenbolone;MW:270.37;LV:1
:
^30,?6,3'10=?6,13=?5,2'11'15=dl,1:?O,12:?w^60,-1:/*OH,9^60'*11^-60:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Luciferin;MW:280.33;LV:1
:
^30,Ph,3=?5,8:,!,?5,9'16=dl,9'14:N,7'11:S,1:/OH,-2:*/COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Chlorophyll a;MW:893.509;LV:9
:
^-36,?5,3:,!`1,54`1,?5,-2:,!`1,54`1,?5,
 -2:,!`1,54`1,?5,-2:,!`1,:5,6:,22`1,70`1,:8,
 4'6'8'10'14'16'18'21'23'27=dl,4:,!`1.48~vf,Mg,:17~vb,11:,:27,27:,:23,
 4'11'17'23:N,1~zf'9'15'21:?,14:/!,20:/!d,25:/*?O!'O!,26:?O,
 2:,-6~wf,!2,?O!,O!2,!d,<!13,1'5'9'13:?
;
%------------------------------------------------------------------------------
CAT:biological;EN:Alizarin;MW:240.21;LV:1
:
^30,Ph,3=?6,-3=Ph2,7'10:?O,13'14:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Indigo;MW:262.26;LV:1
:
^30,Ph,3=?5,-2:,!d,?5,-3=Ph2,7'14:NH,9'11:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:6,6'-dibromoindigo;MW:420.0549;LV:1
:
^30,Ph,3=?5,-2:,!d,?5,-3=Ph2,7'14:NH,9'11:?O,1'-2:/Br
;
%------------------------------------------------------------------------------
CAT:biological;EN:Carminic Acid;MW:492.39;LV:1
:
^30,Ph,3=?6,-3=Ph2,7'10:?O,2'5'6'13:/OH,11:?,12:/COOH,
 1:,!~wb`1,?6,-5:O,-1'*-2'-3:/*OH,-4:*/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Curcumin;MW:368.38;LV:1
:
^30,Ph,3:,!8,Ph,8'13=dr,9'11:?O,6'-3:/OH,5'-4:/O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Berberine;MW:336.36;LV:1
:
^30,Ph,3=Ph,-3=?6,-2=Ph2,-3=?5,8:N,8:p^60,-1'-3:O,1^vt'2:/!OH
;
%==============================================================================
CAT:biological;EN:Apigenin;MW:270.24;LV:1
:
^30,Ph,2'6:/OH,3=?6,9=dl,10:O,7:?O,9:,!Ph,-3:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Luteolin;MW:286.24;LV:1
:
^30,Ph,2'6:/OH,3=?6,9=dl,10:O,7:?O,9:,!Ph,-2'-3:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Flavone;MW:222.24;LV:1
:
^30,Ph,3=?6,9=dl,10:O,7:?O,9:/Ph
;
%------------------------------------------------------------------------------
CAT:biological;EN:Isoflavone;MW:222.24;LV:1
:
^30,Ph,3=?6,9=dl,10:O,7:?O,8:/Ph
;
%------------------------------------------------------------------------------
CAT:biological;EN:Flavanone;MW:224.25;LV:1
:
^30,Ph,3=?6,10:O,7:?O,9:/Ph
;
%------------------------------------------------------------------------------
CAT:biological;EN:Flavonol;MW:238.24;LV:1
:
^30,Ph,3=?6,9=dl,10:O,7:?O,8:/OH,9:/Ph
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cianidanol;MW:290.27;LV:1
:
^30,Ph,3=?6,8:,!w,Ph,7:O,1'5'9~zf'13'14:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Quercetin;MW:302.24;LV:1
:
^30,Ph,3=?6,9:,!Ph,9=dl,10:O,7:?O,2'6'8'13'14:/OH
;
%==============================================================================
CAT:biological;EN:Limonin;MW:470.518;LV:1
:
^30,?6,-3'-4=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,13'15'17'20:O,
 3'12'21:?O,4'*8:?w^60,18:??,1^60'5^180'16^60:/*H,
 14:,!z,<?5,1'4=dl,3:O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cromolyn;MW:468.37;LV:1
:
^30,Ph,6=?6,9=dl,7:O,10:?O,8:/COOH,
 $2:,!,O!2,/OH,!2,O,60,<Ph,2=?6,9=dl,10:O,7:?O,9:/COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Emetine;MW:480.649;LV:1
:
^30,Ph,-4'-4=?6,8:N,1'6:/O!,-2:/*!,7'12:/*H^-60,
 -3:,!,!zb,^-60,<?6,5=dl,2:NH,1^-60:*/H,<-2=?6,2'4=dl,2'3:/O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Acronycine;MW:321.376;LV:1
:
^30,Ph,<-4=?6,1:N?,4:?O,-3=Ph2,-1:/O!,<-4=?6,2=dl,4:O,3:??
;
%------------------------------------------------------------------------------
CAT:biological;EN:Piperine;MW:285.343;LV:1
:
^30,Ph,-1=?5,-1'-3:O,4:,!!d,!!d,!?O!,?6,-6:N
;
%------------------------------------------------------------------------------
CAT:biological;EN:Febrifugine;MW:301.34;LV:1
:
^30,Ph,3=?6,8=dl,9:,!3,!zb,?6,7'9:N,-5:NH,10'12:?O,-1:*/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Hypericin;MW:504.44;LV:1
:
^30,Ph,-4'-3'11--4'16---17'19'23---24'22--29=?6,
 12'14'16'17'*22'24'26'28'33'35=dl,7'25:?O,13'26:?,2'6'11'21'23'28:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Camphor;MW:152.23;LV:1
:
`1,15,-30,90,90,30,`,:1,2:,0~si_`1.6,:5,-1^45'-1^-65'5^-45:?,4:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sparteine;MW:234.3803;LV:1
:
^30,?6,3=?6,9=wf,10=wb,8:,`1,60,60,N,60,`,:10,-3=?6,3:N,4^60'*11^-60:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Mitomycine C;MW:334.332;LV:1
:
^30,?6,3'6=dl,2'5:?O,1:?,-4=?5,-3:N,
 6:/NH2,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,$9:,!2,O,60,?O!,NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Podophyllotoxin;MW:414.41;LV:1
:
^0,?5,2'5:O,3=Ph2,8=?6,-3=?5,-2:O,-1=wb,-3:?O,
 10:/*Ph'(3'4'5:/O!),13:/*OH,11^-60'*12^60:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Warfarin;MW:308.333;LV:1
:
^30,Ph,3=?6,8=dl,10:O,7:/OH,9:?O,8:,!,/Ph`1,!2,?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Genistein;MW:270.24;LV:1
:
^30,Ph,3=?6,9=dl,10:O,2'6:/OH,7:?O,8:/Ph'4:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Baicalein;MW:270.24;LV:1
:
^30,Ph,3=?6,9=dl,10:O,1'2'6:/OH,7:?O,8:/Ph
;
%------------------------------------------------------------------------------
CAT:biological;EN:Reserpine;MW:608.688;LV:1
:
^54,Ph,3=?5,-2'-4'-3=?6,9=dl,11:N,7:NH,*10^-60'15^-60'16^60:/*H,
 20:,!w,O!,?O,!Ph,-2'-3'-4'1'19~zf^rl:/O!,18:*/?O!'O!^lr
;
%------------------------------------------------------------------------------
CAT:biological;EN:Rotenone;MW:394.423;LV:1
:
^-60,?5,-3'-2'-3'-4=?6,*3'7'9'*17'-2'-4=dl,
 2'13'16:O,10:?O,11^-60'12^60:*/H,-2'-3:/O!,1:*/?!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pyrethrin I;MW:328.452;LV:1
:
^30,?3,3^35'*3^-35:?w,1:,!w,!d,?!,
 2:,!z,?O!O,-36~zb,<?5,4=dl,5:?,3:?O,4:,<!5,3'5=dl
;
%------------------------------------------------------------------------------
CAT:biological;EN:Oseltamivir;MW:312.40;LV:1
:
^30,?6,3=dl,6:*/NH2,1:,!z,NH!,?O!,2:,!w,O!,/!,!2,4:/?O!'O!2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Paclitaxel;MW:853.918;LV:9
:
?6,5=dl,3:,`1,36,45,45,45,45,`,:5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
 4:??,6:?,3^-60'15:*/OH,8^-60:/*H,9^60:?w,10:?O,
 1:,!O!,?O!,*/OH,!,/Ph,60~wf,NH,-60,?O,60,Ph,
 7:,!z,O,-45,?O,60,Ph,11^rl'*12^-15^lr:*/O!'?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Mevastatin;MW:390.52;LV:1
:
^30,?6,2=dl,4^60:*/H,-4=?6,-4=dl,9:?w,
 10:,!w,!,60~wb,?6,6:O,-2:?O,-4:/*OH,5:,!z,O,60,?O!,?w,!2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sesamine;MW:354.35;LV:1
:
^54,?5,1=?5,4'7:O,1^-54'2^54:*/H,5'8:*/Ph'4=?5'(7'9:O)^-12
;
%------------------------------------------------------------------------------
CAT:biological;EN:Morphine;MW:285.343;LV:1
:
^30,Ph,2'-4=?6,1---12=?5,-1:O,-1=zb,
 7:,60~wf`0.75,70~si_`1.3,45,N?,:9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Quinine;MW:324.424;LV:1
:
^30,Ph,3=Ph,7:N,6:/O!,
 10:,!,*/OH,/*H^-60,!,<?6,2:N,1^60:*/H,4:*/!d,2:,165~zf,60,:5~zb
;
%------------------------------------------------------------------------------
CAT:biological;EN:Atoropin;MW:289.375;LV:1
:
^30,O!,?O!2,Ph,1:,-60~zb,?7`1.1,-2:,190~wf`1.25,N?,:-5~wb,$3:/!OH~wv
;
%------------------------------------------------------------------------------
CAT:biological;EN:Colchicine;MW:399.443;LV:1
:
^30,Ph,1'2'6:/O!,-4'-5=?7,-1'-4'-6=dl,-2:?O,-3:/O!,9:/NH!'?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Lycorine;MW:287.315;LV:1
:
^30,Ph,-4'-2=?6,6'9--12=?5,13=dl,8:N,15'17:O,*9^180'10^60:*/H,13'*14:*/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Ibotenic acid;MW:158.113;LV:1
:
^18,?5,4=dl,3:O,2:NH,1:?O,4^-24:/?NH2'!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Illudin S;MW:264.3;LV:1
:
^30,?6,3=?5,6:,?3,4'7=dl,2:?O,5:?,1'8:?w^35,*1^-35'9:*/OH,8^-35:/*!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Muscarine;MW:174.26;LV:1
:
^18,?5,2:O,1:?w,5:/*OH,3:,!w,48,N,??,p^180,!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Psilocybin;MW:284.248;LV:1
:
^30,Ph,3=?5,8=dl,9:NH,2:,!O,-60,P,?O^-45,/OH^45,90,OH,7:/!2'N?!^lr
;
%------------------------------------------------------------------------------
CAT:marine toxine;EN:Tetrodotoxine;MW:319.27;LV:9
:
`1,^60,-90,60,-30`1.15,150,60,:1,3:,-135,60,-30`1.15,150,:4,
 10:,!O,60`1.33,60,:$3~si_,8:,-15~si_,O,:12,`,
 9:,45,-60,OH,1^120:?NH,5~zf^-15'7'9^-75'12'13~zf:/OH,2:NH,6^180:NH
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Aflatoxin B1;MW:312.27;LV:1
:
^30,Ph,6=?6,-2'4'-2=?5,-2'10=dl,7'14'17:O,2:/O!,8'11:?O,15^-54'16^54:*/H
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Aflatoxin B2;MW:314.3;LV:1
:
^30,Ph,6=?6,-2'4'-2=?5,10=dl,7'14'17:O,2:/O!,8'11:?O,15^-54'16^54:*/H
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Aflatoxin G1;MW:328.27;LV:1
:
^30,Ph,6'-2=?6,4'-2=?5,-2'10=dl,7'12'15'18:O,2:/O!,8'11:?O,16^-54'17^54:*/H
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Aflatoxin G2;MW:330.29;LV:1
:
^30,Ph,6'-2=?6,4'-2=?5,10=dl,7'12'15'18:O,2:/O!,8'11:?O,16^-54'17^54:*/H
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Aflatoxin M1;MW:328.3;LV:1
:
^30,Ph,6=?6,-2'4'-2=?5,-2'10=dl,7'14'17:O,2:/O!,8'11:?O,15^-54:*/H,16^54:*/OH
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Aflatoxin M2;MW:330.29;LV:1
:
^30,Ph,6=?6,-2'4'-2=?5,10=dl,7'14'17:O,2:/O!,8'11:?O,15^-54:*/H,16^54:*/OH
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Ochratoxin A;MW:403.813;LV:1
:
^30,Ph,4:,!2,/*COOH,!`1.2,NH,!`1.2,?O!,<Ph,5:/Cl,2:/OH,3=?6,8:O,9:?w,7:?O
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Deoxynivalenol;MW:296.32;LV:1
:
^30,?6,3=?6,5=dl,1:?O,6:?,-1:O,*4^60'-2:*/H,7^30:?w,7:,72`.9,80`1.3,:9,
 8:,?3,-3=wf_,-1=si_,-1:O,2'12^18:/*OH,3^-60`1:/*!OH
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Patulin;MW:154.12;LV:1
:
^30,?6,3=?5,2'10=dl,6'7:O,5:/OH,8:?O
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Citrinin;MW:250.247;LV:1
:
^30,?6,3=?6,2'5'11=dl,9:O,1:?O,2:?,7'*8:?w,5:/OH,6:/COOH
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Zearalenone;MW:318.364;LV:1
:
^30,Ph,3:,`1,!6,60,60,!4,:4,`,8=dl,17:O,16:?w,1'5:/OH,12'18:?O
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Fumonisin B1;MW:721.83;LV:1
:
^30,!19,6:,!w,O!,?O!2,/COOH,!2,COOH,7:,!z`1.2,O!,?O!2,/COOH,!2,COOH,
 5'9:?z,11'16'*18:*/OH,19:/*NH2
;
%------------------------------------------------------------------------------
CAT:mycotoxin;EN:Puberulic acid;MW:198.13;LV:1
:
^38.5,?7,2'4'7=db,3:/COOH,1'5'7:/OH,6:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Dicumarol;MW:336.295;LV:1
:
^30,Ph,3=?6,8:,!`1.5,!`1.5,?6,-4=Ph2,8'14=db,10'16:O,9'17:?O,7'13:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Dihydroxybergamotin;MW:372.4;LV:1
:
^30,Ph,3=?6,6=?5,10'13=db,7'13:O,8:?O,5:,!O,!2,!d,?,!3,/OH,!??,!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Bergamotin;MW:338.40;LV:1
:
^30,Ph,3=?6,6=?5,10'13=db,7'13:O,8:?O,5:,!O,!2,!d,?,!3,!d,?!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Alkannin;MW:288.29;LV:1
:
^30,Ph,3=?6,9=db,2'5:/OH,7'10:?O,8:,!,/*OH,!2,!d,?!
;
%==============================================================================
CAT:synthetic;EN:Benzene;MW:78.11;LV:1
:
^30,Ph
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Phenol;MW:94.11;LV:1
:
^30,Ph,3:/OH
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Aniline;MW:93.13;LV:1
:
^30,Ph,3:/NH2
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Picric acid;MW:229.10;LV:1
:
^30,Ph,1'3'5:/NO2,2:/OH
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Hexaphenylbenzene;MW:534.6876;LV:1
:
^30,Ph,1'2'3'4'5'6:/Ph
;
%==============================================================================
CAT:aromatic;EN:Naphthalene;MW:128.17;LV:1
:
^30,Ph,3=Ph
;
%------------------------------------------------------------------------------
CAT:aromatic;EN:Anthracene;MW:178.23;LV:1
:
^30,Ph,3'6=Ph
;
%------------------------------------------------------------------------------
CAT:aromatic;EN:Phenanthrene;MW:178.23;LV:1
:
^30,Ph,4'6=Ph
;
%------------------------------------------------------------------------------
CAT:aromatic;EN:Naphthacene;MW:228.3;LV:1
:
^30,Ph,6'3'-3=Ph
;
%------------------------------------------------------------------------------
CAT:aromatic;EN:Chrysene;MW:228.3;LV:1
:
^30,Ph2,6'4'-4=Ph
;
%------------------------------------------------------------------------------
CAT:aromatic;EN:Pyrene;MW:202.25;LV:1
:
^30,Ph2,6'4=Ph,16---7=?6,-2=dl
;
%------------------------------------------------------------------------------
CAT:aromatic;EN:Coronene;MW:300.35;LV:1
:
^30,Ph,1'11--2'15--3'19--4'23--5'27---7=?6,9'12'14'17'20'22'25'28'30=dl
;
%------------------------------------------------------------------------------
CAT:aromatic;EN:Kekulene;MW:600.7;LV:1
:
^30,?6,3'-3'-2'-3'-2'-3'-2'-3'-2'-3'-2----5'5---- -4=?6,
 1'*5'7'9'11'13'17'19'21'23'27'29'31'33'37'39'41'43'47'49'51'53'57'60=dl
;
%==============================================================================
CAT:synthetic;EN:12-Crown-4;MW:176.21;LV:1
:
^-180,O,30,60,60,O,-30,60,60,O,-30,60,60,O,-30,60,:1
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:15-Crown-5;MW:220.26;LV:1
:
^-180,O,48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,:1
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:18-Crown-6;MW:264.32;LV:1
:
^-180,O,60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,:1
;
%==============================================================================
CAT:synthetic;EN:Porphyrin;MW:310.4;LV:1
:
^9,`1,?5,3:,!,54,?5,-2:,!,54,?5,-2:,!,54,?5,-2:,!,:5,`,
 1'4'6'8'10'14'16'18'21'23'27=dl,4'17:N,11'23:NH
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Sulflower;MW:448.69;LV:1
:
^67.5,?8,1'3'5'7=?5,11:,30`1.15,:12,14:,30`1.15,:15,
 17:,30`1.15,:18,20:,30`1.15,:9,9'12'13'16'17'20'21'24=dl,
 10'13'16'19'21'22'23'24:S
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Arsphenamine x5;MW:915.2;LV:1
:
^18,?5,1'2'3'4'5:As,1'2'3'4'5:/Ph'3:/NH2'4:/OH
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Melamine;MW:126.12;LV:1
:
^30,Ph,2'4'6:N,1'3'5:/NH2
;
%==============================================================================
CAT:pigment;EN:Tartrazine;MW:534.3;LV:1
:
^30,Ph,1:/SO3Na,4:,!N,!d,N!,^-12,<?5,1'4=dl,3'4:N,5:/COONa,2:/OH,
 3:/Ph'4:/SO3Na
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse yellow 3;MW:269.30;LV:1
:
^30,Ph,2:?,5:/OH,4:,!N,!d,N,!Ph,-3:/NH!'?O!
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse orenge 30;MW:450.27;LV:1
:
^30,Ph,1:/NO2,3'5:/Cl,4:,!N,!d,N,!Ph,-3:,!N,/!2'CN,!3,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse red 65;MW:371.82;LV:1
:
^30,Ph,1:/NO2,3:/Cl,4:,!N,!d,N,!Ph,-1:?,-3:,!N,/!2'CN,!2
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Erythrosine;MW:835.9;LV:1
:
^30,Ph,3'9=?6,8'13'16=dl,10:O,-2:?O,1'5'12'14:/I,7:,!Ph,-1:/COOH,6:/OH
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Sudan red 1;MW:248.28;LV:1
:
^30,Ph,1=Ph,4:/OH,3:,!N,!d,N,!Ph
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Basic blue 1;MW:319.86;LV:1
:
^30,Ph,3=Ph,6=Ph,2:S,5:N,8'13:/N?!,2:p,2:,(3.5'1.5):,Cl,n_^15
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse red 11;MW:268.274;LV:1
:
^30,Ph,3=?6,9=dr,9=Ph,7'10:?O,-1'-4:/NH2,-2:/O!
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse red 60;MW:331.326;LV:1
:
^30,Ph,3=?6,9=dr,9=Ph,7'10:?O,-1'-4:/NH2,-2:/O!'Ph
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse violet 26;MW:422.438;LV:1
:
^30,Ph,3=?6,9=dr,7'10:?O,<-3=Ph,1'4:/NH2,2^*30'3^*-30:/O!'Ph
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Vat blue 1;MW:262.27;LV:1
:
^30,Ph,3=?5,8:,!d,?5,-3=dr,-3=Ph,7'14:NH,9'11:?O
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFBA;LN:Perfluoro-n-butanoic acid;MW:214.04;LOGP:2.2;LV:2
:
!3^*0,?O,-60,OH,1_3'1^-90:/F,1_3:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFPeA;LN:Perfluoro-n-pentanoic acid;MW:264.05;LOGP:2.9;LV:2
:
!4^*0,?O,-60,OH,1_4'1^-90:/F,1_4:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFHxA;LN:Perfluoro-n-hexanoic acid;MW:314.05;LOGP:3.6;LV:2
:
!5^*0,?O,-60,OH,1_5'1^-90:/F,1_5:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFHpA;LN:Perfluoro-n-heptanoic acid;MW:364.06;LOGP:4.3;LV:2
:
!6^*0,?O,-60,OH,1_6'1^-90:/F,1_6:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFOA;LN:Perfluoro-n-octanoic acid;MW:414.07;LOGP:4.9;LV:2
:
!7^*0,?O,-60,OH,1_7'1^-90:/F,1_7:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFNA;LN:Perfluoro-n-nonanoic acid;MW:464.08;LOGP:5.6;LV:2
:
!8^*0,?O,-60,OH,1_8'1^-90:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFDA;LN:Perfluoro-n-decanoic acid;MW:514.08;LOGP:6.3;LV:2
:
!9^*0,?O,-60,OH,1_9'1^-90:/F,1_9:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFUdA;LN:Perfluoro-n-undecanoic acid;MW:564.09;LOGP:6.9;LV:2
:
!10^*0,?O,-60,OH,1_10'1^-90:/F,1_10:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFDoA;LN:Perfluoro-n-dodecanoic acid;MW:614.1;LOGP:7.6;LV:2
:
!11^*0,?O,-60,OH,1_11'1^-90:/F,1_11:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFTrDA;LN:Perfluoro-n-tridecanoic acid;MW:664.1;LOGP:8.3;LV:2
:
!12^*0,?O,-60,OH,1_12'1^-90:/F,1_12:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFTeDA;LN:Perfluoro-n-tetradecanoic acid;MW:714.11;LOGP:9;LV:2
:
!13^*0,?O,-60,OH,1_13'1^-90:/F,1_13:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:HFPO-DA(GenX);LOGP:3.6;
LN:2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propionic acid;MW:330.05;LV:2
:
!4^*0,0`1,?O,-60,OH,-3:O,1_3'1^-90:/F,1_3'5:/F^180,5:/?F?F!F
;
%------------------------------------------------------------------------------
CAT:pfas;EN:DONA;MW:378.07;LOGP:4.1;LV:2;
LN:Decafluoro-3H-4,8-dioxano-nanoate
:
!8^*0,?O,-60,OH,2'6:O,1'3_5'8'1^-90:/F,3_5'1'7'8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:NMeFOSAA;MW:571.21;LOGP:5;LV:2;
LN:N-methyl-perfluorooctane-sulfonamido-acetic acid
:
!8^*0,S,?O,?O^180,-.1,^30,N,?,!2,?O,!,OH,1_8'1^-90:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:NEtFOSAA;MW:585.24;LOGP:5.4;LV:2;
LN:N-ethyl-perfluorooctane-sulfonamido-acetic acid
:
!8^*0,S,?O,?O^180,-.1,^30,N,/!,!2,?O,!,OH,1_8'1^-90:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFBS;LN:Perfluoro-1-butanesulfonate;MW:300.10;LOGP:2.3;LV:2
:
!4^*0,S,?O,?O^180,-.1,OH,1_4'1^-90:/F,1_4:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFPeS;LN:Perfluoro-1-pentanesulfonate;MW:350.11;LOGP:3;LV:2
:
!5^*0,S,?O,?O^180,-.1,OH,1_5'1^-90:/F,1_5:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFHxS;LN:Perfluoro-1-hexanesulfonate;MW:400.12;LOGP:3.7;LV:2
:
!6^*0,S,?O,?O^180,-.1,OH,1_6'1^-90:/F,1_6:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFHpS;LN:Perfluoro-1-heptanesulfonate;MW:450.12;LOGP:4.3;LV:2
:
!7^*0,S,?O,?O^180,-.1,OH,1^-90'1_7:/F,1_7:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFOS;LN:Perfluoro-1-octanesulfonate;MW:500.13;LOGP:5;LV:2
:
!8^*0,S,?O,?O^180,-.1,OH,1^-90'1_8:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFNS;LN:Perfluoro-1-nonanesulfonate;MW:550.14;LOGP:5.7;LV:2
:
!9^*0,S,?O,?O^180,-.1,OH,1^-90'1_9:/F,1_9:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFDS;LN:Perfluoro-1-decanesulfonate;MW:600.15;LOGP:6.4;LV:2
:
!10^*0,S,?O,?O^180,-.1,OH,1^-90'1_10:/F,1_10:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFDoS;LN:Perfluoro-1-dodecanesulfonate;MW:700.16;LOGP:7.7;LV:1
:
!12^*0,S,?O,?O^180,-.1,OH,1^-90'1_12:/F,1_12:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:4,2-FTS;MW:328.15;LOGP:2.6;LV:2;
LN:1H,1H,2H,2H-perfluoro-butanesulfonate
:
!4^*0,-60,60,S,?O,?O^180,-.1,OH,1^-90'1_4:/F,1_4:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:6,2-FTS;MW:428.16;LOGP:3.9;LV:2;
LN:1H,1H,2H,2H-perfluoro-hexanesulfonate
:
!6^*0,-60,60,S,?O,?O^180,-.1,OH,1^-90'1_6:/F,1_6:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:8,2-FTS;LN:1H,1H,2H,2H-perfluoro-octanesulfonate;
MW:528.18;LOGP:5.3;LV:2
:
!8^*0,-60,60,S,?O,?O^180,-.1,OH,1^-90'1_8:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:8,2-FTOH;LN:1H,1H,2H,2H-perfluoro-octanesulfonate;
MW:464.12;LOGP:5.7;LV:1
:
!8^*0,-60,60,OH,1^-90'1_8:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:6,2-FTOH;LN:1H,1H,2H,2H-perfluoro-octanesulfonate;
MW:364.10;LOGP:4.4;LV:1
:
!6^*0,-60,60,OH,1^-90'1_6:/F,1_6:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:6,2 FTUCA;LN:2H-Perfluoro-2-octenoic acid;
MW:358.08;LOGP:3.7;LV:1
:
!5^*0,-60,60,?O,-60,OH,1^-90'1_6:/F,1_5:/F^180,6=dr
;
%------------------------------------------------------------------------------
CAT:pfas;EN:8,2 FTUCA;LN:2H-Perfluoro-2-decenoic acid;
MW:458.10;LOGP:5.1;LV:1
:
!7^*0,-60,60,?O,-60,OH,1^-90'1_8:/F,1_7:/F^180,8=dr
;
%------------------------------------------------------------------------------
CAT:pfas;EN:10,2 FTUCA;LN:2H-Perfluoro-2-dodecenoic acid;
MW:558.11;LOGP:6.4;LV:1
:
!9^*0,-60,60,?O,-60,OH,1^-90'1_10:/F,1_9:/F^180,10=dr
;
%------------------------------------------------------------------------------
CAT:pfas;EN:PFOPA;MW:500.13;LV:1
:
!8^*0,P,?O,/OH^-179.8,-.1,OH,1^-90'1_8:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:6,6-FPi;MW:702.06;LV:1
:
!6^*0,P,!6^*0,7^180:?O,7`1.5:/OH,1^-90'1_6'8_13'13^90'13^-90:/F,1_6'8_12:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:9Cl-PF3ONS;MW:532.58;LOGP:5.3;LV:2;
LN:9-Chlorohexadecafluoro-3-oxanonane-1-sulfonate
:
Cl,!10^*0,S,?O,?O^180,.1,OH,-4:O,2_7'9'10:/F,2_7'9'10:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:11Cl-PF3OUDS;MW:632.60;LOGP:6.7;LV:2;
LN:11-Chloroeicosafluoro-3-oxaundecane-1-sulfonate
:
Cl,!12^*0,S,?O,?O^180,.1,OH,-4:O,2_9'11'12:/F,2_9'11'12:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:NEtFOSE;MW:571.25;LV:1
:
!8^*0,S,?O,?O^180,-.1,N,/!,-60,!2,OH,1^-90'1_8:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:FBSA;LN:Perfluoro-1-butanesulfonamide;MW:299.12;LOGP:2.2;LV:2
:
!4^*0,S,?O,?O^180,-.1,NH2,1^-90'1_4:/F,1_4:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:FHxSA;LN:Perfluoro-1-hexanesulfonamide;MW:399.13;LOGP:3.5;LV:2
:
!6^*0,S,?O,?O^180,-.1,NH2,1^-90'1_6:/F,1_6:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:FOSA;LN:Perfluoro-1-octanesulfonamide;MW:499.15;LOGP:4.8;LV:2
:
!8^*0,S,?O,?O^180,-.1,NH2,1^-90'1_8:/F,1_8:/F^180
;
%------------------------------------------------------------------------------
CAT:pfas;EN:FMeCHS;LN:Perfluoro-1-(perfluoroethyl)cyclohexanesulfonic acid;
MW:462.13;LOGP:3.9;LV:2
:
?6,4:,30`1.4,60,60,F,1'2'3'5'6'7'8:/F^35,1'2'3'5'6'7'8:/F^-35,
 4:,-30`1.5,S?O?O,!OH
;
%==============================================================================
CAT:antibiotics;EN:Amoxicillin;MW:365.4042;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,
 4:,15~wf,NH!,?O!,*/NH2,!Ph,-3:/OH
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Ampicillin;MW:349.405;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,4:,15~wf,NH!,?O!,/*NH2,!Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Penicillin G;MW:334.4;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,4:,15~wf,NH!,?O!2,Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Penicillin V;MW:350.3895;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,4:,15~wf,NH!,?O!2,O,!Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Mecillinam;MW:325.4264;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,4:,15~wf,N,!d,!,?7,-7:N
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Nafcillin;MW:414.4748;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,
 4:,15~wf,NH!,?O,!Ph,-2=Ph,-9:/O!2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Oxacillin;MW:401.4363;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,
 4:,15~wf,NH!,?O!,^-24,<?5,1'4=dl,4:N,3:O,2:?,5:,-24,Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cloxacillin;MW:435.8813;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,
 4:,15~wf,NH!,?O!,^-24,<?5,1'4=dl,4:N,3:O,2:?,5:,-24,Ph,-5:/Cl
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Dicloxacillin;MW:470.3264;LV:1
:
^45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,
 4:,15~wf,NH!,?O!,^-24,<?5,1'4=dl,4:N,3:O,2:?,5^-24:/Ph'(2'6:/Cl)
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefalexin;MW:347.3889;LV:1
:
^45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,6:?,
 4:,15~wf,NH!,?O!,*/NH2,!Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefalonium;MW:458.5107;LV:1
:
^45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1:?O^15,5:,!z,?O!O,n^40,
 4:,15~wf,NH!,?O!2,?5,-1'-3=dl,-4:S,6:,!2,<Ph,1:N,1:p^180,4:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefazorin;MW:454.51;LV:1
:
^45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1^15:?O,5:/*COOH,
 4:,15~wf,NH!,?O!2,<?5,2'4=dl,1'3'4'5:N>,
 6:,!2,S!,<?5,1'3=dl,5:S,4:?,2'3:N
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefoperazone;MW:645.67;LV:9
:
^45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
 4:,15~wf,NH!,?O!,/*Ph'4:/OH,!NH!,?O!,<?6,1'4:N,2'3:?O,4:/!>,
 6:,!2,S!,<?5,1'3=dl,5:?,2'3'4'5:N
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefquinome;MW:528.6;LV:1
:
^45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1:?O^15,5:,!z,?O!O,n_^40,
 4:,15~wf,NH!,?O!,//N!'O!,!,<?5,1'4=dl,3:S,5:N,4:/NH2>,
 6:,!2,<Ph,5=?6,1:N,1:p^180
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Ceftiofur;MW:523.5626;LV:1
:
^45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
 4:,15~wf,NH!,?O!,//N!'O!,!,<?5,1'4=dl,3:S,5:N,4:/NH2>,
 6:,!2,S,!?O!,<?5,3'5=dl,2:O
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefuroxime;MW:424.3852;LV:1
:
^45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
 4:,15~wf,NH!,?O!,//N!'O!,!,<?5,3'5=dl,2:O>,
 6:,!2,O!,?O!,NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Apramycin;MW:539.58;LV:1
:
^30,?6,3=?6,2'10:O,1:,!z,O,60~zb,?6,9:,!z,O,-60~zb,?6,-5:O,
 7'13'*14'*-1'-2:*/OH,*6'15'17'*-3:*/NH2,8:*/NH!^-20,-4:*/!OH,*3^-60'4^60:*/H
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Gentamycin;MW:477.596;LV:1
:
^-30,?6,1:,!z,O,0~zb,?6,-5:O,5:,!z,O,0~zb,?6,-5:O,2'4'*20:*/NH2,6:*/OH,
 11:*/OH^-35,11:?z^35,12:*/NH!,13:/*OH,17:*/?!'NH!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Kanamycin;MW:484.499;LV:1
:
^-30,?6,1:,!z,O,0~zb,?6,-5:O,5:,!O,0,?6,-5:O,
 2'4'12:*/NH2,*6'11'13'18'*19'20:/*OH,10:*/!OH,17:*/!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Neomycin;MW:614.644;LV:9
:
^30,?6,3:O,2:/*!NH2,1'*6:*/OH,5:*/NH2,
 4:,!w,O,!wb,<?6,4'2^15:/*NH2,5:*/OH^-15,
 6:,!z,O,-72~wb,<?5,2:O,5:/*OH^vt,3:*/!OH^vt,
 4:,-24~zf,O,-60~zb,<?6,2:O,6:/*NH2,4'*3:*/OH,5:/*!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Streptmycin;MW:581.574;LV:9
:
^54,?5,3:O,4:?z,5:/OH^45,1:,!z,O,-24~wb,?6,-5:O,2:,!w,O,24~zb,?6,
  5:/!dO^-48,10'*11'15'*16'*18:*/OH,9:/*!OH,12:*/NH!,17^-18'19:*/NH!'?NH'!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Streptmycin-H2O;MW:599.574;LV:-
:
^54,?5,3:O,4:?z,5:/OH^60,1:,!z,O,-24~wb,?6,-5:O,2:,!w,O,24~zb,?6,
  5:,-18,/OH^15,45,OH,10'*11'15'*16'*18:*/OH,9:/*!OH,12:*/NH!,
  17^-18'19:*/NH!'?NH'!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:dihydro-Streptmycin;MW:583.574;LV:1
:
^54,?5,3:O,4:?z,5:/!OH^-48,5:/*OH^35,1:,!z,O,-24~wb,?6,-5:O,2:,!w,O,24~zb,?6,
 10'*11'15'*16'*18:*/OH,9:/*!OH,12:*/NH!,17^-18'19:*/NH!'?NH'!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Spectinomycin;MW:332.35;LV:1
:
^30,?6,3'9=?6,7=zf,11=wb,7'10'14:O,9^60:*/H,11:?O,1'*5'8^-60:*/OH,
 13:?z,2'6:*/NH!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tobramycin;MW:467.51;LV:1
:
^-30,?6,1:,!z,O,0~zb,?6,-5:O,5:,!O,0,?6,-5:O,
 2'4'12'*20:*/NH2,*6'11'13'18:/*OH,10:*/!OH,17:*/!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Spiramycin;MW:843.1;LV:9
:
^-90,`1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,:1,`,
 12'14=dl,2:O,1'10^-30:?z,5:/*OH,3:?O,6:/*O!^vt,8:/*!'!dO,
 -6:,!z^-30,O,!wb,?6`.7,-5:O,`.5,-3:/*N?!,-4:?w,`,
 7:,!z,O,0~wb,<?6`.7,2:O,`.5,5:*/N?!,6:/*OH,3:?w,`,
   -3:,!z`1,O,60~wb,<?6`.7,2:O,`.5,4'5^35:*/OH,3'5^-35:?z
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Neospiramycin;MW:698.9;LV:9
:
^-90,`1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,:1,`,
 12'14=dl,2:O,1'10^-30:?z,5:/*OH,3:?O,6:/*O!^vt,8:/*!'!dO,
 -6:,!z^-30,O,!wb,<?6`.7,2:O,`.5,4:/*N?!,3:?w,`,
 $7:,!z,O,!wb,<?6`.7,2:O,`.5,5:*/N?!,3:?w,4'6:/*OH
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Josamycin;MW:827.995;LV:9
:
^-90,`1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,:1,`,
 12'14=dl,2:O,1:?z,3:?O,10:?z,6:/*O!^vt,-6:/*OH,5:/*O!'?O!^-25,8:/*!'!dO,
 7:,!z,O,0~wb,<?6`.7,2:O,`.5,5:*/N?!,6:/*OH,3:?w,`,
   4:,!z`1,O,!wb,<?6`.7,2:O,`.5,5^35:*/OH,5^-35'3:?z,`,
   4:,!w,O,60,?O,60,-60,?,!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Leucomycin A5;MW:771.942;LV:9
:
^-90,`1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,:1,`,
 12'14=dl,2:O,1:?z,3:?O,10:?z,6:/*O!^vt,-6:/*OH,5:/*OH,8:/*!'!dO,
 7:,!z,O,0~wb,<?6`.7,2:O,`.5,5:*/N?!,6:/*OH,3:?w,`,
   4:,!z`1,O,!wb,<?6`.7,2:O,`.5,5^35:*/OH,5^-35'3:?z,`,
   4:,!w,O,60,?O,60,-60,60
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Erythromycin;MW:733.93;LV:9
:
^30,`1,^-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,`,:1,
 14:O,13:/*!,1'9:?O,*2'4'6^-35'8'*10'12^35:?z,
 6^35'11'12^-35:*/OH,
 $3:,!z,O,30~zb,<?6`.7,6:O,`.5,5~wf'3^35:?,4:/*OH,3^-35:/*O!,`,
 $5:,30~zf`1.7,O,!zb,<?6`.7,6:O,`.5,5:?z,2:*/OH,3:/*N?!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Emamectine;MW:886.133;LV:9
:
^24,?6,6=?5,3=dl,9:O,2:*/OH,3:?,6:/*OH^-60,
 5:,`1.04,6,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,`,:7,
 -1'-3'-7=dl,-11-- -10=?6,-2:,?6,-6=wf,-1=zb,-5=dl,
 -1'-6:O,-3:?w,-2:,!,?w,!2,10:?O,
 17:?,19:?z,18:,!O!,<?6`.7,6:O,`.5,5:?w,3:*/O!,`,
 -3:,!O,60,<?6`.7,2:O,`.5,3:?w,4:/*NH!,5:*/O!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Spinosad;MW:731.968;LV:9
:
^30,`1,^-120,60,60,-60,60,60,60,-60,60,60,60,-60,:1,`,
 5=?5,-1=dl,-2^60'-3^-35:/*H,-3=?6,-4=dl,
 -1^35'*-2^-60:*/H,-2=?5,2:O,3^25'7^-25:?O,1:*/!,
 -2:,!z,O,66~zb,<?6`.7,6:O,`.5,5:?w,*4'3'2:*/O!>,`,
 8:?w,5^-65:*/H,9:,!z,O,!zb,<?6`.7,6:O,`.5,5:?z,4:*/N?!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Natamycin;MW:665.733;LV:9
:
^-90,`1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60,
 60,60,-60,60,-60,60,-60,60,60,-60,:1,`,12--13=?6,
 2'4'6'8'20=dl,11=zb,23:O,-2:/*OH,-3:*/COOH,
 18=?3,-1=wb,-2=wf,-1:O,22:?O,24:?w,14^60'16:*/OH,
 10:,15~wf,O,90,<?6`.7,6:O,`.5,4'*2:*/OH,3:/*NH2,5:?z
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tylocin;MW:916.10;LV:9
:
^-90,`1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,:1,`,
 12'14=dl,2:O,1:/*!,5:/*OH,3:?O,10:?z,6:?z,-6:?O,-3:?,8:/*!'!dO,
 -1:,!w,-60,O,0~wb,?6`.7,-5:O,`.5,-3:/*OH,-4:?w,-1'-2:/*O!,`,
 7:,!z,O,0~wb,<?6`.7,2:O,`.5,5:*/N?!,6:/*OH,3:?w,`,
   4:,!z`1,O,!wb,<?6`.7,2:O,`.5,5^35:*/OH,5^-35'3:?z,4:*/OH
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tilmicosin;MW:869.133;LV:9
:
^-90,`1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,:1,`,
 12'14=dl,2:O,1:/*!,5:/*OH,3'11:?O,6'10:?z,14:?,
 -1:,!w,-60,O,0~zb,<?6`.7,2:O,`.5,6'5:*/O!,4:*/OH,3:?z,`,
 $7:,!z,O,0,<?6`.7,2:O,`.5,5:*/N?!,6'4:/*OH,3:?w,`,
 $8:,!z,!2,<?6`.7,1:N,`.5,5'3:?w
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Mirosamicin;MW:727.8791;LV:9
:
^-90,`1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,:1,`,
 5'13=dl,15=?3,-2=wf,-1=wb,-1:O,3:O,2:/*!,4'12:?O,7'9'*11:?w,1:/*OH^-80,
 $1:,!w,!O,!wb,<?6`.7,2:O,`.5,4:/*OH,3:?w,5'6:/O!,`,
 $8:,!z,O,0,<?6`.7,2:O,`.5,5:*/N?!,6:/*OH,3:?w
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Chlortetracyclin;MW:478.88;LV:1
:
^30,Ph,-4'-3'-3=?6,16'19=dl,10'18:?O,7:?w^-35,2:/Cl,
 5'7~zf^35'13~wf^60'14'16:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Oxytetracyclin;MW:460.434;LV:1
:
^30,Ph,-4'-3'-3=?6,16'19=dl,10'18:?O,7:?w^-35,11:*/OH,
 5'7~zf^35'13~wf^60'14'16:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tetracyclin;MW:444.435;LV:1
:
^30,Ph,-4'-3'-3=?6,16'19=dl,10'18:?O,7:?w^-35,
 5'7~zf^35'13~wf^60'14'16:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Doxycyclin;MW:444.43;LV:1
:
^30,Ph,-4'-3'-3=?6,16'19=dl,10'18:?O,7:?w,
 5'13~wf^60'11~wf'14'16:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tiamulin;MW:493.74;LV:1
:
^-45.5,?8,-3=?5,8:,`.8,-210~zf,?^60,45,56,`,:6~zb,
 3^-45'5'8:?w,3:,30~zf,!d,4:/*OH,11:?O,7:*/H^60,
 1:,15,O!,?O!2,S,60,60,-60,N?2,!2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Rifampicin;MW:822.94;LV:9
:
^30,Ph,6:?^30,5:/OH,-6=?5,-3:O,-8=?6,-2'-4=dl,-1'-4:/OH,
 `1,-2:,!,NH,60,-60,60~dl,60,60~dl,-60,
 60,-60,60,60,-60,60,-53,66,-53~dl,66`1.2,O,`,:$8,
 9'15:?O,16:?,20'24^30:?w,21'23:/*OH,8^60'22'26^30:?z,
 -4:/*O!,-6:,-30,O!,?O!,$11:,!!d,N!,<?6,1:N,4:N?
;
%==============================================================================
CAT:pesticide;EN:BHC;MW:290.83;LV:1
:
^30,?6,1'*2'3'4'*5'6:*/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:pp-DDT;MW:354.49;LV:1
:
^30,Ph,6:/Cl,3:,!,/?Cl?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:op-DDT;MW:354.49;LV:1
:
^30,Ph,4:/Cl,3:,!,/?Cl?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:pp-DDD;MW:320;LV:1
:
^30,Ph,6:/Cl,3:,!,/?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:pp-DDE;MW:318;LV:1
:
^30,Ph,6:/Cl,3:,!,//?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:XMC;MW:179.2;LV:1
:
^30,Ph,1'5:?,3:,!O!,?O!,NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Acrinathrin;MW:541.45;LV:1
:
^-30,?3,2^-35'*2^35:?w,
 1:,!!d,!?O,!O!,/?F?F!F,!,?F?F!F,3:,!?O,!O!,/CN,!Ph,-4:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azaconazole;MW:300.139;LV:1
:
^30,Ph,4'6:/Cl,3:,!3,<?5,2'4=dl,1'2'4:N>,7:,?5,-1'-4:O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Acetochlor;MW:269.769;LV:1
:
^30,Ph,2:?,4:/!,3:,!N,/?O!2'Cl,!2,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Atrazine;MW:215.7;LV:1
:
^30,Ph,2'4'6:N,5:/Cl,1:/NH!2,3:/NH'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Alachrol;MW:269.8;LV:1
:
^-30,!,O!2,N,/Ph'(2'6:/!),!,?O!2,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Isoprcarb;MW:193.246;LV:1
:
^30,Ph,2:/?!,3:/O!'?O!'NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Isoprothiolane;MW:290.4;LV:1
:
^30,!?!,O!,?O!,//?5'(2'5:S),!?O,!O,!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Iprobenfos;MW:288.34;LV:1
:
^30,!?!,O!,P,?O,/O'!?!^170,!S,!2,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Uninnazole-P;MW:291.779;LV:1
:
^30,Ph,6:/Cl,3:,!!d,!,/OH,!,??!,8:,!,<?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Esprocarb;MW:265.4;LV:1
:
^30,Ph,3:,!2,S!,?O!,N?2,!,?!,?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethalfluralin;MW:333.3;LV:1
:
^30,Ph,1'3:/NO2,5:/?F?F!F,2:,!`1.1,/!,N,!2,?,!d
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethofenprox;MW:376.5;LV:1
:
^30,Ph,5:,!O!,Ph,10:,!,O!3,??,!Ph,-3:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Endrin;MW:380.91;LV:1
:
^30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
  2:,210~wf`1.5,:5~wb,7:,210~wf`1.5,:10~wb,1'2'5'6'12^-210'12^-150:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxadiazon;MW:345.2;LV:1
:
^30,Ph,4'6:/Cl,1:/O'!?!,3:,!,<?5,2=dl,1'2:N,4:O,5:?O,3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxadixyl;MW:278.3;LV:1
:
^30,Ph,2'4:?,3:,!N,!,?O!2,O!,7:,!,<?5,1:N,4:O,5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxyfluorfen;MW:361.701;LV:1
:
^30,Ph,6:/?F?F!F,4:/Cl,3:,!O!,Ph,-3:/NO2,-4:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cafenstrole;MW:350.4;LV:1
:
^30,Ph,2'4'6:?,3:,!,S?O?O,!,<?5,2'5=dl,2'4'5:N,4:/?O!'N?2'!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carfentrazone-ethyl;MW:412.19;LV:1
:
^30,Ph,4:/F,6:/Cl,1:,!2,/Cl,!?O!,O!2,3:,!,<?5,4=dl,1'3'5:N,2:?O,3:/?F!F,4:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carboxin;MW:235.301;LV:1
:
^30,?6,3=dl,2:S,5:O,4:?,3:,!?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quinoxyfen;MW:308.13;LV:1
:
^30,Ph,4=Ph,10:N,2'6:/Cl,7:,!O!,Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quitozene;MW:295.3;LV:1
:
^30,Ph,1'2'3'4'6:/Cl,5:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Kresoxim-Methyl;MW:313.348;LV:1
:
^30,Ph,3:,!,/?O!'O!,!d,N,!O!,4:,!2,O,!Ph,-1:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clomazone;MW:239.7;LV:1
:
^30,Ph,2:/Cl,3:,!2,<?5,1:N,2:O,4:??,5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorfenapyr;MW:407.62;LV:1
:
^18,?5,3=dl,5=dl,2:N,4:/CN,5:/Br,1:/?F?F!F,2:/!O'!2,3:/Ph'4:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorfenson;MW:303.153;LV:1
:
^30,Ph,3:,!O!,S?O?O,!Ph,6'12:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorpropham;MW:213.7;LV:1
:
^30,Ph,6:/Cl,4:,!NH!,?O!O,!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorbenside;MW:269.183;LV:1
:
^30,Ph,3:,!S,!2,Ph,6'12:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorobenzilate;MW:325.2;LV:1
:
^30,Ph,3:,!,/OH^-35,/?O!'O!2^30^lr,!Ph,6'11:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorantraniliprole;MW:483.15;LV:1
:
^30,Ph,1:/Cl,3:?,5:,!?O,60,NH!,4:,!NH!,?O!,^24,<?5,3'5=db,2'3:N,4:/Br,
 2:,24,Ph,-5:N,-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorothalonil;MW:265.9;LV:1
:
^30,Ph,4'6:/CN,1'2'3'5:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorothalonil-4-Hydroxy;MW:247.5;LV:-
:
^30,Ph,4'6:/CN,1'2'5:/Cl,3:/OH
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlornitrofen;MW:318.5;LV:1
:
^30,Ph,6:/NO2,3:,!O!,<Ph,2'4'6:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fthalide;MW:271.9;LV:1
:
^30,Ph,3=?5,8:O,9:?O,1'2'5'6:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azoxystrobin;MW:403.4;LV:1
:
^30,Ph,2:/CN,3:,!O!,<Ph,4'6:N,3:,!O!,Ph,-5:,!,/?O!'O!,!d,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiuram;MW:240.43;LV:1
:
^30,!,N?!,?S,!S,!,S!,?S,!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Probenazole;MW:223.25;LV:1
:
^12,Ph,3=?5,9=dl,7:S,8:N,7^35'7^-35:?O,9:/O!2'!d
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Penflufen;MW:317.41;LV:1
:
^30,Ph,3:,!NH!,?O!,<?5,2'5=db,3'4:N,2'4:?,5:/F>,4:,!?,60,!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:MCPA;MW:200.62;LV:1
:
^30,Ph,1:/Cl,5:?,4:/O!2'COOH
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Asulam;MW:230.2;LV:1
:
^30,Ph,1:/NH2,3:,!,S?O?O,!NH!,?O!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Imazosulfuron;MW:412.81;LV:1
:
^-11.8,?6,3=?5,1'5'7'9=db,4'7:N,8:/Cl,
 -1:,!,S?O?O,!NH!,?O,!NH!,<Ph,2'6:N,3'5:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triaziflam;MW:333.4;LV:1
:,
^30,Ph,2'6:?,4:,!,O!2,?!,NH!,<Ph,2'4'6:N,5:/NH2,3:/??'!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Trichlopyr;MW:256.47;LV:1
:,
^30,Ph,2:N,1'4'6:/Cl,3:/O!2'COOH
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Halosulfuron-methyl;MW:434.82;LV:1
:,
^6,?5,3'5=db,1'2:N,2:?,5:/Cl,3:,!,S?O?O,!NH!,?O,!NH!,Ph,-2'-4:/O!,4:/?O!'O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flupoxam;MW:460.8;LV:1
:
^30,Ph,4:/Cl,1:,!,<?5,2'4=db,1'2'4:N,5:/Ph,3:/?O!'NH2>,
 3:,!2,O!2,/F^35,/F^-35,!,?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyanazine;MW:240.7;LV:1
:
^30,Ph,2'4'6:N,5:/Cl,1:/NH!2,3:/NH!'??'!CN
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diethofencarb;MW:267.3;LV:1
:
^30,Ph,4:,!NH!,?O!O,!?!,1'6:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diclofop-methyl;MW:341.2;LV:1
:
^30,Ph,4'6:/Cl,3:,!O!,Ph,-4:,!O,!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalothrin;MW:449.86;LV:1
:
^-30,?3,2^-35'*2^35:?w,1:,!!d,/?F?F!F,!Cl,3:,!?O,!O!,/CN,!Ph,-4:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;LV:1
:
^30,Ph,1:/CN,4:/F,3:,!O!,Ph,-3:,!O,!?!,?O!O,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diphenamid;MW:239.3;LV:1
:
^30,Ph,3:,!2,Ph,-5:/?O!'N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyfluthrin;MW:434.3;LV:1
:
^-30,?3,2^-35'*2^35:?w,
 1:,!!d,?Cl!Cl,3:,!?O,!O!,/CN,!Ph,-3:/F,-4:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diflufenican;MW:394.29;LV:1
:
^30,Ph,1'5:/F,4:,!NH!,?O,!Ph,6:N,-5:,!O!,Ph,-3:/?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyproconazole;MW:291.8;LV:1
:
^30,?3,2:,!,?!,/OH^30,-90,!,^-18,<?5,2'4=dl,1'3'5:N,$5:,-30,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cypermethrin;MW:416.3;LV:1
:
^-30,?3,2^-35'*2^35:?w,1:,!!d,?Cl!Cl,3:,!?O,!O!,/CN,!Ph,-4:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Simazine;MW:201.7;LV:1
:
^30,Ph,2'4'6:N,5:/Cl,1:/NH!2,3:/NH!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethametryn;MW:255.4;LV:1
:
^30,Ph,2'4'6:N,5:/S!,1:/NH!2,3:/NH'!?!'?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethenamid;MW:275.8;LV:1
:
^-6,?5,3'5=dl,2:S,3'5:?,4:,!,N!,?O!2,Cl,6:/?!2'O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Simetryn;MW:213.3;LV:1
:
^30,Ph,2'4'6:N,5:/S!,1'3:/NH!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimepiperate;MW:263.4;LV:1
:
^30,Ph,3:,!??,!S!,?O!,?6,-6:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diazinon;MW:304.35;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,<Ph,4'6:N,5:?,3:/?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiobencarb;MW:257.776;LV:1
:
^30,Ph,1:/Cl,4:,!2,S!,?O!,N?2,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiometon;MW:246.34;LV:1
:
^-30,!O!,P,?S,/O!^160,!,S!3,S!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thifluzamide;MW:528.08;LV:1
:
^-12,?5,3'5=dl,2:S,5:N,3:/?F?F!F,1:?,
 4:,!?O,!NH!,^6,<Ph,2'6:/Br,4:/O!'?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldrin;MW:364.908;LV:1
:
^30,?6`1.3,3=?6,6'9=dl,2:,210~wf`1.5,:5~wb,7:,210~zf`1.5,:10~zb,
 1'2'5'6'11^-210'11^-150:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dieldrin;MW:380.895;LV:1
:
^30,?6`1.3,3=?6,9=?3,6=dl,2:,210~wf`1.5,:5~wb,7:,210~zf`1.5,:10~zb,
 11:O,1'2'5'6'12^-210'12^-150:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tecnazene;MW:260.879;LV:1
:
^30,Ph,1'3'4'6:/Cl,5:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tetrachlorvinfos;MW:365.97;LV:1
:
^-30,!O!,P,?O,/O!^160,!O!,/Ph'(2'4'5:/Cl),!d,!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tetraconazole;MW:372.14;LV:1
:
^-6,?5,2'5=dl,1'2'4:N,4:,!4,O!,/F^35,/F^-35,!,?F!F,7:/Ph'(4'6:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tetradifon;MW:356.038;LV:1
:
^30,Ph,3:,!,S?O?O,!Ph,6'10'11'13:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thenylchlor;MW:323.835;LV:1
:
^6,?5,2'5=dl,4:S,2:/O!,3:,!2,N,7^-15:/Ph'(6'2:?),!,?O!2,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebuconazole;MW:307.8;LV:1
:
^36,?5,1'4=dl,1'3'5:N,3:,30,!4,Ph,-3:/Cl,7^-30:/??!,7^30:/OH
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebufenpyrad;MW:333.86;LV:1
:
^6,?5,3'5=dl,1'2:N,4:/Cl,5:/!,2:?,3:,!?O!,NH,!2,Ph,-3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tefluthrin;MW:418.736;LV:1
:
^-30,?3,2^-35'*2^35:?w,1:,!!d,/?F?F!F,!Cl,3:,!?O!,O!2,<Ph,2'3'5'6:/F,4:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Terbutryn;MW:241.4;LV:1
:
^30,Ph,2'4'6:N,5:/S!,1:/NH!2,3:/NH!'??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Terbufos;MW:288.42;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!,S!2,S!,??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triadimefon;MW:293.8;LV:1
:
^30,Ph,6:/Cl,3:,!,O!2,?O!,??!,8:,!,<?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triazophos;MW:313.31;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,^-12,<?5,2'5=dl,2'4'5:N,4:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triallate;MW:304.7;LV:1
:
^-30,!?!,N,/?!,!?O!,S!2,/Cl,!d,?Cl!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethylvinphos;MW:331.52;LV:1
:
^-30,!O!,P,?O,/O!^160,!O!,/Ph'(2'4:/Cl)`1,!d,!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Trifluralin;MW:335.3;LV:1
:
^30,Ph,1'3:/NO2,5:/?F?F!F,2:,!N,/!2,!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Napropamide;MW:271.4;LV:1
:
^-30,Ph,4=Ph,10:,!O!,?!,?O!,N?2,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Nitrothal-isopropyl;MW:295.3;LV:1
:
^30,Ph,5:/NO2,1'3:/?O!'O!'?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Norflurazon;MW:303.7;LV:1
:
^30,?6,1'5=dl,4'5:N,1:/NH!,3:?O,2:/Cl,4:/Ph'3:/?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Paclobutrazole;MW:293.795;LV:1
:
^30,Ph,6:/Cl,3:,!3,/OH,!,??!,8:,!,<?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Picolinafen;MW:376.331;LV:1
:
^30,Ph,5:/?F?F!F,3:,!O!,Ph,-5:N,-4:,!?O,!NH!,Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bitertanol;MW:337.4;LV:1
:
^30,Ph,3:,!Ph,-3:,!,O!2,/OH,!,??!,14:,!,<?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bifenox;MW:342.14;LV:1
:
^30,Ph,4'6:/Cl,3:,!O!,Ph,-4:/?O!'O!,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bifenthrin;MW:422.88;LV:1
:
^-30,?3,2^-35'*2^35:?w,1:,!!d,/Cl,!,?F?F!F,3:,!?O,!O!,-60,Ph,-1:?,-2:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraflufen-ethyl;MW:413.174;LV:1
:
^30,Ph,6:/Cl,4:/F,3:,!,<?5,1'4=dl,2'3:N,-3:?,5:/Cl,
  -2:,!O!,/F,!F,$1:,!,O!2,?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyridaben;MW:364.9;LV:1
:
^30,?6,2'4=dl,5'6:N,6:/??!,1:?O,2:/Cl,-4:,!S,!2,Ph,-3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyridaphenthion;MW:340.34;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,<?6,1'5=dl,2'3:N,4:?O,3:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyributicarb;MW:330.4;LV:1
:
^30,Ph,5:/??!,3:,!?O!,S!,N?!,Ph,-5:N,-4:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyriproxyfen;MW:321.5;LV:1
:
^30,Ph,5:,!O!,Ph,-3:,!,O!2,?!,O,-60,Ph,-5:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyriminobac-Methyl;MW:361.354;LV:1
:
^30,Ph,2:/O!'?O!,5:,!?,!d,N,!O!,3:,!O!,<Ph,2'6:N,3'5:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyrimethanil;MW:199.257;LV:1
:
^30,Ph,3:,!NH!,<Ph,2'6:N,3'5:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyroquilon;MW:173.2;LV:1
:
^30,Ph,3=?6,10:N,9:?O,11--4=?5
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Vinclozolin;MW:286.108;LV:1
:
^36,?5,3:N,5:O,2'4:?O,1:?^54,1:/!d^-30,3:/Ph'(3'5:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fipronil;MW:437.2;LV:1
:
^30,Ph,2'4:/Cl,6:/?F?F!F,3:,!,<?5,2'4=dl,1'2:N,3:/CN,5:/NH2,-2:/S?O'!'?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenomiphos;MW:303.36;LV:1
:
^30,!2,O!,P,?O,/NH'!?!^160,!O!,<Ph,3:?,4:/S!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenarimol;MW:331.2;LV:1
:
^30,Ph,3:,!2,Ph,4'11:/Cl,7:/OH^30,7^-30:/Ph'(3'5:N)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenothiocarb;MW:253.4;LV:1
:
^30,Ph,3:,!O,!5,S,!?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fensulfothion;MW:308.35;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,Ph,-3:/S'?O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenitrothion;MW:277.23;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,<Ph,3:?,4:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Parathion-methyl;MW:263.2;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Parathion;MW:291.3;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenthion;MW:278.33;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,<Ph,3:?,4:/S!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Butamifos;MW:332.36;LV:1
:
^-30,!2,?!,NH!,P,?S,/O!2^170^rl,!O!,<Ph,2:/NO2,5:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phenthoate;MW:320.358;LV:1
:
^-30,!O!,P,?S,/O!^160,!S,!,/Ph,!?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Prothyophos;MW:329.18;LV:1
:
^-30,!3,O!,P,?S,/O!2^160^rl,!O!,<Ph,2'4:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propaphos;MW:304.343;LV:1
:
^-30,!3,O!,P,?O,/O!3^160^rl,!O!,Ph,-3:/S!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Profenofos;MW:373.6;LV:1
:
^30,!2,O!,P,?S,/O!3^160^rl,!O!,<Ph,2:/Cl,4:/Br
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromophos;MW:365.99;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,<Ph,3'6:/Cl,4:/Br
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phosalone;MW:367.80;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!,S!2,<?5,4=Ph,4=dr,1:N,2:?O,3:O,8:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phosmet;MW:317.32;LV:1
:
^-30,!O!,P,?S,/O!^160,!S,!2,<?5,3=Ph2,1:N,2'5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phorate;MW:260.4;LV:1
:
^30,!2,O!,P,?S,!,S!2,S!2,4:/O!2^160^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Malathion;MW:330.35;LV:1
:
^-30,!O!,P,?S,/O!^160,!S!,/!?O!'O!2`1,!?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methidathion;MW:302.32;LV:1
:
^-30,!O!,P,?S,/O!^160,!,S!2,<?5,4=dl,1'5:N,3:S,2:?O,4:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mevinphos;MW:224.15;LV:1
:
^-30,!O!,P,?O,/O!^160,!O,!?,!d,!?O!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorpyrifos;MW:350.59;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,<Ph,6:N,2'4'5:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorpyrifos-methyl;MW:322.53;LV:1
:
^-30,!O!,P,?S,/O!^160^rl,!O!,<Ph,6:N,2'4'5:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cadusafos;MW:270.386;LV:1
:
^-30,!2,?!,S!,P,?O,/O!2^160^rl,!S,!?,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethoate;MW:229.25;LV:1
:
^-30,!O!,P,?S,/O!^160,!,S!2,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tribufos;MW:314.50;LV:1
:
^30,!4,S!,P,?O,/S'!4^160^rl,!S,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tolclofos-methyl;MW:301.13;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,<Ph,2'6:/Cl,4:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Piperophos;MW:353.48;LV:1
:
^-30,!3,O!,P,?S,/O'!?!^160^rl,!,S!2,?O!,<?6,1:N,6:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraclofos;MW:360.80;LV:1
:
^30,!2,O!,P,?O,/S!3^160^rl,!O!,^-12,<?5,2'5=dl,3'4:N,4:,-12,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyrazophos;MW:373.37;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,<?5,3=?6,2'5'7'9=dl,4'5'6:N,7:?,-2:/?O!'O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:EPN;MW:323.303;LV:1
:
^30,!2,O!,P,?S,/Ph^170,!O!,Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Anilofos;MW:367.9;LV:1
:
^-30,!O!,P,?S,/O!^160,!S,!2,?O!,N,/?!,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Isazofos;MW:313.74;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,<?5,2'5=dl,2'4'5:N,4:/Cl,3:/?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethion;MW:384.46;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!S,!2,S!,P,?S,/O!2^200^lr,!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Edifenphos;MW:310.37;LV:1
:
^30,Ph,3:,!O!,P,?S,/O!2^rl^160,!S,!Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethoprophos;MW:242.33;LV:1
:
^-30,!3,S!,P,?O,/S!3^160^rl,!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethrimfos;MW:292.29;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,<Ph,2'4:N,5:/!,3:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quinalphos;MW:298.30;LV:1
:
^30,!,O!2,P,?S,/O!2^160^rl,!O!,<Ph,3=Ph,2'5:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorfenvinphos;MW:359.58;LV:1
:
^30,!2,O!,P,?O,/O!2^160^rl,!O!,/Ph'(2'4:/Cl)`1,!d,!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pirimiphos-methyl;MW:305.333;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,<Ph,2'4:N,5:?,3:/N?2'!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyanophos;MW:243.22;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,Ph,-3:/CN
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dichlofenthion;MW:315.2;LV:1
:
^30,!2,O!,P,?S,/O!2^160^rl,!O!,Ph,-5'-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenvalerate;MW:419.91;LV:1
:
^30,Ph,6:/Cl,3:,!,/?!,!?O,!O!,/CN,!Ph,-4:/O'!Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpropathrin;MW:349.4;LV:1
:
^-30,?3,1^35'2^-35:?w,1^-35'2^35:?z,3:,!?O,!O!,/CN,!Ph,-4:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpropimorph;MW:303.49;LV:1
:
^30,?6,3:N,6:O,1'5:?w,3:,!,!?,!2,Ph,-3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Butachlor;MW:311.85;LV:1
:
^30,!4,O!2,N,/Ph'(-1'-5:/!),!,?O!2,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bupirimate;MW:316.42;LV:1
:
^30,Ph,4'6:N,1:?,3:,!O!,S?O?O,!,N?!,2:/!3,5:/NH!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Buprofezin;MW:305.4;LV:1
:
^-30,?6,1'5:N,1:/Ph,3:S,6:?O,5:/?!,4://N'!??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flamprop-methyl;MW:335.8;LV:1
:
^30,Ph,1:/Cl,6:/F,3:,!N,/?O!'Ph^rl,!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluacrypyrim;MW:426.392;LV:1
:
^30,Ph,4'6:N,1:/?F?F!F,5:/O'!?!,3:,!,O!2,Ph,-1:,!,<!d,!O!,1:/?O!'O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluquinconazole;MW:376.2;LV:1
:
^30,Ph,3=?6,8=dl,7'9:N,6:/F,10:?O,8:,!,<?5,2'4=dl,1'3'5:N,$9:/Ph'(4'6:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fludioxonil;MW:248.2;LV:1
:
^30,Ph,5=?5,7'9:O,8^-40'8^40:/F,4:,!,<?5,2'5=dl,4:NH,2:/CN
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flucythrinate;MW:451.5;LV:1
:
^30,Ph,6:,!O!,/F,!,F,3:,!,/?!,!?O,!O!,/CN,!Ph,-4:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flutolanil;MW:323.3;LV:1
:
^30,Ph,2:/?F?F!F,3:,!?O,!NH!,Ph,-1:/O'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluvalinate;MW:502.92;LV:1
:
^30,Ph,5:/Cl,1:/?F?F!F,4:,!NH!,/?!,!?O,!O!,/CN,!Ph,-4:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flumioxazin;MW:354.337;LV:1
:
^30,Ph,6:/F,3=?6,-1:O,-4:N,-3:?O,-4:,!2,!t,1:,!,<?5,3=?6,3=dr,1:N,2'5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pretilachlor;MW:311.85;LV:1
:
^30,Ph,2'4:/!,3:,!N,/?O!2'Cl`1,!3,O!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Procymidone;MW:284.136;LV:1
:
?6,1:N,3:,:5,2'6:?O,3'5:?,1:/Ph'(3'5:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propachlor;MW:211.689;LV:1
:
^30,Ph,3:,!N,/?!,!,?O!2,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propazine;MW:229.7;LV:1
:
^30,Ph,2'4'6:N,5:/Cl,1'3:/NH'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propanil;MW:218.077;LV:1
:
^30,Ph,1'6:/Cl,3:/NH!'?O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propyzamide;MW:256.1;LV:1
:
^30,Ph,1'5:/Cl,3:,!?O,!NH,!??!,!t
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propiconazole;MW:342.22;LV:1
:
^30,Ph,4'6:/Cl,3:,!3,<?5,2'4=dl,1'2'4:N>,7:,<?5,1'4:O,2:/!2^-15
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Prohydrojasmon;MW:254.37;LV:1
:
^18,?5,2:?O,3:*/!4^-12,4:/*!?O!'O!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromacil;MW:261.119;LV:1
:
^30,?6,6=dl,3:N,1:/Br,2'4:?O,5:NH,6:?,3:/?!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Prometryn;MW:241.4;LV:1
:
^30,Ph,2'4'6:N,5:/S!,1'3:/NH'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromobutide;MW:312.2;LV:1
:
^30,Ph,3:,!??,!NH!,?O!,/Br,!??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromopropylate;MW:428.12;LV:1
:
^30,Ph,3:,!2,Ph,6'11:/Br,7:/OH^-45,7:,30,?O!O,-60,?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexaconazole;MW:314.2;LV:1
:
^36,?5,1'4=dl,1'3'5:N,3:,30,!5,-4^30:/OH,-5:,-30,Ph,-3'-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexazinone;MW:252.31;LV:1
:
^30,?6,3=dl,2'4'6:N,2:?,1'5:?O,6:/?6,3:/N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benalaxyl;MW:325.4;LV:1
:
^30,Ph,3:,!2,?O!,N,/Ph'(-5'-1:?),!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benoxacor;MW:260.1;LV:1
:
^90,Ph,3=?6,7:N,10:O,8:?,7:,!?O!,?Cl!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Heptachlor;MW:373.35;LV:1
:
^30,?6`1.3,3=?5,6'8=dl,2:,210~wf`1.5,:5~wb,1'2'5'6'9'10^-210'10^-150:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Permethrin;MW:391.30;LV:1
:
^-30,?3,2^-35'*2^35:?w,1:,!!d,?Cl!Cl,3:,!?O!,O!2,Ph,-4:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Penconazole;MW:284.184;LV:1
:
^30,Ph,4'6:/Cl,3:,!,/!2,!2,^30,<?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pendimethalin;MW:281.3;LV:1
:
^30,Ph,3'5:/NO2,1'2:?,4:,!,NH,!?,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benfluralin;MW:335.3;LV:1
:
^30,Ph,1'3:/NO2,5:/?F?F!F,2:/N?2'!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benfuresate;MW:256.3;LV:1
:
^30,Ph,3=?5,7:O,9:??,6:,!O!,S?O?O,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bensulide;MW:397.5;LV:1
:
^30,!?!,O!,P,?S,/O'!?!^160^rl,!,S!3,NH!,S?O?O,!Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Myclobutanil;MW:288.8;LV:1
:
^36,?5,1'4=dl,1'3'5:N,3:,30,!,/CN^30,/Ph'(4:/Cl)^-30,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methoxychlor;MW:345.644;LV:1
:
^30,Ph,3:,!2,Ph,6'11:/O!,7:/?Cl?Cl!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Metolachlor;MW:283.8;LV:1
:
^30,Ph,5:/!,3:?,4:,!N,/?!2'O!,!,?O!2,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mefenacet;MW:298.4;LV:1
:
^12,Ph,3=?5,9=dl,9:N,7:S,8:,!,O!2,?O!,N?!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mefenpyr-diethyl;MW:373.23;LV:1
:
^18,?5,5=dl,4'5:N,3^65:?,1^12'3^-12:/?O!'O!2,4:,-24,Ph,-3'-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mepronil;MW:269.3;LV:1
:
^30,Ph,2:?,3:,!?O,!NH!,Ph,-2:/O'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Molinate;MW:187.3;LV:1
:
^47,?7,3:N,3:,!?O!,S!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Resmethrin;MW:338.4;LV:1
:
^-30,?3,2^-35'*2^35:?w,1:,!!d,?!,3:/?O!'O!2,<?5,3'5=dl,2:O,3:/!Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lenacil;MW:234.3;LV:1
:
^30,?6,3=?5,3=dl,6:N,2:NH,1'5:?O,6:/?6
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Halfenprox;MW:477.4;LV:1
:
^30,Ph,6:,!O!,/F^35,/F^-35,!,Br,3:,!,!??!,O!2,Ph,-2:/O!'Ph^rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Paraquat;MW:257.16;LV:1
:
Ph,4:,!Ph,1'10:N?,1^-90'10^90:p,1:,(0'1.2):,Cl,n_^15,10:,(0'1.2):,Cl,n_^15
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxine-Copper;MW:351.852;LV:1
:
Ph,4:N,5=Ph,-4:,!O,-60,^90,Cu,-90,O,60,Ph,-2=Ph,-1:N,4:,:12~vf,23:,:12~vf
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Endosulfan;MW:406.904;LV:1
:
^26,?7,7=`1.3'?6,11:,208~wf`1.45,:8~wb,10=dl,3'5:O,4:S,4:?O,
 8'9'10'11'12^-210'12^-150:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Uniconazole-P;MW:291.779;LV:1
:
^30,Ph,6:/Cl,3:,!!d,!,/OH,!??!,8:,!,<?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimesulfazet;MW:336.33;LV:1
:
^-60,Ph,3:,!2,?4,-4:N,-2:??,-3:?O,4:,30,NH!,S?O?O,!,?F?F!F
;
%******************************************************************************
CAT:pesticide;EN:Azinphos-methyl;MW:317.318;LV:1
:
^-30,!O!,P,?S,/O!^160,!,S!2,<?6,-3=?6,2'4'8'10=dl,1'2'3:N,6:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azoxystorbin;MW:403.394;LV:1
:
^30,Ph,2:/CN,3:,!O!,Ph,-1'-3:N,-4:,!O!,Ph,-5:,!,//!O!,!?O!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aramite;MW:334.859;LV:1
:
^30,Ph,6:/??!,3:,!,O!2,?!,O!,S,?O,!,O!3,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldicarb;MW:190.3;LV:1
:
^-30,!S,!??,!!d,N,!O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldoxycarb;MW:222.3;LV:1
:
^30,!?O,!NH!,O!,N,!d,!??,!,S?O?O,!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Isoxaflutole;MW:359.319;LV:1
:
^30,Ph,6:/?F?F!F,4:,!,S?O?O,!,3:,!`1,?O,!`1,^-12,<?5,1'4=dl,3:O,4:N,2:/?3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Iprovalicarb;MW:320.4;LV:1
:
^30,Ph,6:?,3:,!,!?!,NH!,?O!,??,!NH!,?O!O,!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Imazalil;MW:297.2;LV:1
:
^-30,!,/Ph'(4'6:/Cl),!,O!2,!d,1:,60,<?5,2'4=dl,1'3:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Imidacloprid;MW:255.662;LV:1
:
^30,Ph,1:N,6:/Cl,3:,!2,<?5,1:N,3:NH,2://N'!NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Indanofan;MW:340.80;LV:1
:
^30,Ph,3=?5,7'9:?O,8^55^lr:/!,8:,-30,!2,Ph,-2:/Cl,11:,?3,-2:O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Indoxacarb;MW:527.837;LV:1
:
^-6,Ph,3=?5,9=?6,15=dl,10:O,12'13:N,1:/Cl,
 12:,!?O!,N,!Ph,-3:/O!'?F?F!F,8^-54`1'15:/?O!'O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxamyl;MW:219.3;LV:1
:
^-30,!,N?!,?O!,/S!,!d,N,!O!,?O!,NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oryzalin;MW:346.4;LV:1
:
^30,Ph,1'3:/NO2,5:/S?O?O'!NH2,2:,!,/!2,N,!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carbaryl;MW:201.22;LV:1
:
^30,Ph,5=Ph,4:,!?O,!O!,NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carpropamid;MW:334.665;LV:1
:
^-30,?3,1:?,2^-35'*2^35:*/Cl,3^70:/!,3:,!?O!,NH,!?!,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cumyluron;MW:302.802;LV:1
:
^30,Ph,4:,!??,!NH!,?O!,NH,!2,Ph,-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cloquintocet-methyl;MW:335.83;LV:1
:
^90,Ph,4=Ph,2:N,10:/Cl,7:,!,O!2,?O!O,!?,!5
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clotianidin;MW:249.673;LV:1
:
^6,?5,3'5=dl,2:S,5:N,1:/Cl,3:,!2,NH!,/NH!,!d,N,!NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chromafenozide;MW:394.515;LV:1
:
^30,?6,3=?6,5:O,7'9'11=dl,7:?,8:,!?O,!NH!,N,/??!,!?O,!Ph,-4'-3:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clomeprop;MW:324.2;LV:1
:
^30,Ph,4'6:/Cl,5:?,3:,!O,!?!,?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chloridazon;MW:221.6;LV:1
:
^30,?6,3'4:N,2'6=dl,5:?O,1:/NH2,6:/Cl,4:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chloroxuron;MW:290.745;LV:1
:
^30,Ph,6:/Cl,3:,!O!,Ph,-3:,!NH!,?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyazofamid;MW:324.783;LV:1
:
^18,?5,2'5=dl,2'4:N,1:/Cl,3:/CN,4:,!,S?O?O,!,N?!,5:,!Ph,-3:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diuron;MW:233.1;LV:1
:
^30,Ph,1'6:/Cl,3:,!NH!,?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyflufenamid;MW:412.36;LV:1
:
^30,Ph,4^20:/?F?F!F,1'2:/F,3:,!2,NH!,?O!2,Ph,-10:,!d,N!,^-12,O!2,?3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diflubenzuron;MW:310.7;LV:1
:
^30,Ph,2'4:/F,3:,!?O,!NH!,?O,!NH!,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyprodinil;MW:225.295;LV:1
:
^30,Ph,2'4:N,5:?,1:/?3,3:/NH!'Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Simeconazole;MW:293.417;LV:1
:
^36,?5,1'3'5:N,1'4=dl,3:,30,!,/OH^30,!2,Si,??!,7^-30:/Ph'4:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethirimol;MW:209.29;LV:1
:
^30,?6,3'5=dl,1:?O,2:NH,3:/N?!,4:N,5:?,6:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethomorph;MW:387.86;LV:1
:
^30,?6,1:O,4:N,4:,!?O!,!d`1,/Ph'4:/Cl,!,<Ph,4'5:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Silafluofen;MW:408.588;LV:1
:
^30,Ph,5:,!O!,Ph,-1:/F,10:,!4,Si,??,!Ph,-3:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Di-allate;MW:270.212;LV:1
:
^-30,!?!,N!,?O!,S,!2,!d,!Cl,3:/?!,7:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Daimuron;MW:268.4;LV:1
:
^30,Ph,4:,!??,!NH!,?O,!NH!,Ph,-3:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiacloprid;MW:252.72;LV:1
:
^30,Ph,1:N,6:/Cl,3:,!2,^-12,<?5,1:N,3:S,-4://N'!CN
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiabendazole;MW:201.247;LV:1
:
^30,Ph,3=?5,8=dl,9:NH,7:N,8:,!,<?5,1'4=dl,3:S,5:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiamethoxam;MW:291.71;LV:1
:
^30,?6,2:O,4'6:N,6:?,5:,!dm,N,!NO2,4:,!2,<?5,1'3=dl,3:N,5:S,4:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebuthiuron;MW:228.3;LV:1
:
^18,?5,3'5=dl,4'5:N,2:S,1:/??!,3:,!,N?!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebufenozide;MW:352.5;LV:1
:
^30,Ph,6:/!,3:,!?O,!NH!,N,/??!,!?O,!Ph,-4'-2:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Teflubenzuron;MW:381.1;LV:1
:
^30,Ph,2'4:/F,3:,!?O,!NH!,?O,!NH!,<Ph,3'5:/Cl,4'6:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tridemorph;MW:297.5;LV:1
:
^30,?6,3:N,6:O,1'5:?,3:/!12
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triflumuron;MW:358.701;LV:1
:
^30,Ph,4:/Cl,3:,!?O,!NH!,?O,!NH!,Ph,-2:/O!'?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Naproanilide;MW:291.35;LV:1
:
^30,Ph,4=Ph,8:,!O,!?!,?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Novaluron;MW:492.706;LV:1
:
^30,Ph,2'4:/F,3:,!?O,!NH!,?O,!NH!,
 Ph,-4:/Cl,-3:,!O!,/F^-35,/F^35,!,/F,!O!,?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraclostrobin;MW:387.817;LV:1
:
^30,Ph,3:,!2,O!,^12,<?5,2'5=dl,4'5:N,4:,12,Ph,-3:/Cl>,2:,!N,/O!,!?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pirimicarb;MW:238.291;LV:1
:
^30,Ph,1'5:N,2'3:?,6:/N?!,4:,!O!,?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenoxycarb;MW:301.35;LV:1
:
^30,Ph,5:,!O!,Ph,-3:,!,O!3,NH!,?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenobucarb;MW:207.3;LV:1
:
^30,Ph,5:/?!2,4:,!O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ferimzone;MW:254.337;LV:1
:
^30,Ph,4:?,3:,!?,!d,N,!NH!,<Ph,2'6:N,3'5:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenamidone;MW:311.403;LV:1
:
^18,?5,4=dl,3'5:N,2:?O,3:,!NH!,Ph,4:/S!,1^52:?w,1^-48:/*Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpyroximate;MW:421.49;LV:1
:
^-6,?5,3'5=db,1'2:N,2'5:?,3:,-15,O,!Ph,4:,!!d,N!,O!2,Ph,-3:,!?O,!O,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phenmedipham;MW:300.32;LV:1
:
^30,Ph,5:?,3:,!NH!,?O!O,!Ph,-4:/NH!'?O!'O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Butafenacil;MW:474.817;LV:1
:
^30,?6,5=dl,1'3:N,1:?,2'4:?O,6:/?F?F!F,3:,!Ph,-3:/Cl,
 -2:,!?O,!O!,??!,?O!,O!2,!d
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flufenacet;MW:363.331;LV:1
:
^6,?5,2'5=dl,1'2:N,4:S,5:/?F?F!F,3:,!O!,!?O!,N,/?!,!Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flufenoxuron;MW:488.77;LV:1
:
^30,Ph,2'4:/F,3:,!?O,!NH!,?O,!NH!,Ph,-1:/F,-3:,!O!,Ph,-3:/?F?F!F,-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluridone;MW:329.3;LV:1
:
^30,?6,3'6=dl,2:N,2:?,5:?O,4:,!Ph,-4:/?F?F!F,6:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propaquizafop;MW:443.884;LV:1
:
^90,Ph,3=?6,8'10=dl,7'10:N,1:/Cl,8:,!O!,Ph,-3:,!O,!?!,?O,!O,!3,O!,N,!dr,?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexaflumuron;MW:461.14;LV:1
:
^30,Ph,2'4:/F,3:,!?O,!NH!,?O,!NH!,<Ph,3'5:/Cl,4:,!O!,/F^-35,/F^35,!,/F,!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexathiazox;MW:352.877;LV:1
:
^30,?6,3:,!NH!,?O!,^-24,<?5,1:N,3:S,2:?O,5:?,4:,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pencycuron;MW:328.84;LV:1
:
^30,Ph,6:/Cl,3:,!2,N,/?5,!?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bendiocarb;MW:223.228;LV:1
:
^30,Ph,5=?5,7'9:O,8:??,4:,!O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pentoxazone;MW:353.774;LV:1
:
^66,?5,5://?!,1:O,3:N,2'4:?O,3:,!,<Ph,4:/Cl,6:/F,3:/O!'?5
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Boscalid;MW:343.21;LV:1
:
^30,Ph,5:N,4:/Cl,3:,!?O,!NH!,Ph,-1:,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methabenzthiazuron;MW:221.3;LV:1
:
Ph,3=?5,9=dl,7:S,9:N,8:,!,N?!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methoxyfenozide;MW:368.48;LV:1
:
^30,Ph,2:?,1:/O!,3:,!?O,!NH!,N,/??!,!?O,!Ph,-4'-2:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Monolinuron;MW:214.6;LV:1
:
^30,Ph,6:/Cl,3:,!NH!,?O!,N?!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lactofen;MW:461.78;LV:1
:
^30,Ph,4:/Cl,6:/?F?F!F,3:,!O!,Ph,-3:/NO2,-4:,!?O!,O,!?!,?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Linuron;MW:249.1;LV:1
:
^30,Ph,1'6:/Cl,3:,!NH!,?O!,N?!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lufenuron;MW:511.15;LV:1
:
^30,Ph,2'4:/F,
 3:,!?O,!NH!,?O,!NH!,<Ph,3'6:/Cl,4:,!O!,/F^35,/F^-35,!,/F,!,?F?F!F
;
%******************************************************************************
CAT:antibacterial;EN:Sulfacetamide;MW:214.239;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,?O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfatiazole;MW:255.31;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<?5,1'3=dl,2:N,5:S
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Chlopidol;MW:192.039;LV:1
:
^30,Ph,1'3:?,2:N,4'6:/Cl,5:/OH
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadiadine;MW:250.276;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,2'6:N
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Levamisole;MW:204.29;LV:1
:
?5,3=?5,6=dl,2:S,4'6:N,7:/Ph
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:5-(Propylsulphonyl)-1-H-Benzimidazole-2-Amine;
MW:239.29;LV:1
:
^30,Ph,3=?5,8=dl,7:N,9:NH,8:/NH2,6:/S?O?O'!3
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfapyrizine;MW:249.288;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,Ph,-1:N
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Marbofloxacin;MW:362.361;LV:1
:
^30,Ph,3'2--7=?6,9=dl,6:/F,7'13:N,11:O,9:/COOH,10:?O,13:?,1:,!,<?6,1:N,4:N?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfamerazine;MW:264.303;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,2'6:N,3:?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Trimethoprim;MW:290.323;LV:1
:
^30,Ph,1'5:N,2'6:/NH2,3:/!Ph'(4'5'6:/O!)
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Ofloxacin;MW:361.373;LV:1
:
^30,Ph,3'2--7=?6,9=dl,7:N,11:O,6:/F,9:/COOH,10:?O,13:?,1:/?6'1:N'4:N?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Ciprofloxacin;MW:331.347;LV:1
:
^30,Ph,3=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10:?O,1:/?6'1:N'4:NH
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Enrofloxacin;MW:359.401;LV:1
:
^30,Ph,3=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10:?O,1:,!,<?6,1:N,4:N?2
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Danofloxacin;MW:357.385;LV:1
:
^30,Ph,3=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10:?O,
 1:,!,<?6,2:,160`1.1,:5,1'4:N,4:?w
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Ormetoprim;MW:274.324;LV:1
:
^30,Ph,1'5:N,2'6:/NH2,3:,!2,<Ph,2:?,4'5:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadimidine;MW:278.33;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,2'4:N,3'5:?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Orbifloxacin;MW:395.382;LV:1
:
^30,Ph,3=?6,9=dl,7:N,2'5'6:/F,7:/?3,9:/COOH,10:?O,1:,!,<?6,1:N,3'5:?w,4:NH
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfamethoxypyridazine;MW:280.302;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,5'6:N,4:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sarafloxacin;MW:385.371;LV:1
:
^30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10:?O,1:,!,?6,-6:N,-3:NH,7:/Ph'4:/F
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Difloxacin;MW:399.398;LV:1
:
^30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10:?O,7:/Ph'4:/F,1:/?6'1:N'4:N?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfamonomethoxine;MW:280.302;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,2'4:N,3:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,5'6:N,4:/Cl
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadoxine;MW:310.328;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,4'6:N,2'3:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfamethoxazole;MW:253.276;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<?5,2'5=dl,4:O,5:N,3:?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Pirimethamin;MW:248.714;LV:1
:
^30,Ph,6:/Cl,3:,!,<Ph,3'5:N,6:/!,2'4:/NH2
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxibendazole;MW:249.27;LV:1
:
^30,Ph,3=?5,9=dl,7:NH,9:N,1:/O!3,8:/NH!'?O'!O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxolinic acid;MW:261.233;LV:1
:
^30,Ph,3=?6,6=?5,9=dl,7:N,11'13:O,10:?O,7:/!,9:/COOH
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfabenzamide;MW:276.31;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,?O,!Ph
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Ethopabate;MW:237.255;LV:1
:
^30,Ph,1:/NH!'?O!,3:/O!2,4:/?O!'O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadimethoxine;MW:310.33;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,2'4:N,3'5:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfaquinoxaline;MW:300.337;LV:1
:
^30,Ph,1:/NH2,4:,!,S?O?O,!NH!,<Ph,3=Ph,6'9:N
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Nalidixic acid;MW:232.239;LV:1
:
^30,Ph,3=?6,9=dl,5'10:N,6:?,7:?O,8:/COOH,10:/!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Flubendazole;MW:313.288;LV:1
:
^30,Ph,3=?5,9=dl,7:NH,9:N,1:,!?O,!Ph,-2:/F,8:/NH!'?O!'O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Flumequine;MW:261.225;LV:1
:
^30,Ph,3'2--7=?6,9=dl,7:N,6:/F,9:/COOH,10:?O,13:?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfanitran;MW:335.334;LV:1
:
^30,Ph,1:,!NH!,?O!,4:,!,S?O?O,!NH!,Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Xylazine;MW:220.334;LV:1
:
^30,?6,3=dl,2:S,4:N,3:,!NH!,Ph,-5'-1:?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Famphur;MW:325.3;LV:1
:
^-30,!O!,P,?S,/O!^160,!O!,Ph,-3:/S?O?O!'N?!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Lincomycin;MW:406.54;LV:1
:
^6,?5,5:N,5:?w,2:*/!2,
 3:,!z,?O,!NH!,!wb,<?6,6:O,2'3'*4:*/OH,5:/*S!>,8:/?!'OH^-30^lr
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:2-acethylamino-5-nitrothiazole;MW:187.178;LV:1
:
^18,?5,2'5=dl,2:N,4:S,3:/NH!'?O!,5:/NO2
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Chlorsulon;MW:380.66;LV:1
:
^30,Ph,6:/NH2,1'3:/S?O?O'!NH2,4:,!,/Cl,60~dl,?Cl!Cl
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Florfenicol;MW:358.21;LV:1
:
^30,Ph,1:/S?O?O!,4:,!,/OH,!,/!F,!NH!,?O!,?Cl!Cl
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Thiamphenicol;MW:356.22;LV:1
:
^30,Ph,1:/S?O?O!,4:,!,/OH,!,/!OH,!`1.1,NH,!`1.1,?O!,?Cl!Cl
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxadiargyl;MW:341.19;LV:1
:
^30,Ph,1'3:/Cl,6:/O!2'!t,4:,!,<?5,2=dl,1'2:N,4:O,5:?O,3:/??!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxaziclomefone;MW:376.277;LV:1
:
^30,?6,6=dl,4:N,2:O,1:?,5:?O,6:/Ph,4:,!??,!Ph,-4'-2:/Cl
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pyrrolnitrin;MW:257.07;LV:1
:
^30,Ph,3:,!,?5,8'11=db,1'11:/Cl,9:NH,2:/NO2
;
%******************************************************************************
CAT:antibiotics;EN:Vancomycin;MW:1449.25;LV:9
:
^-30,!12`1,1'3'12=zf,7=wf,`1,60,60,Ph,-3:,!O!,Ph,-4:,!O!,Ph,-3:,!,:1,
 7:,:26,$1:,60,60,NH,60,-60,Ph,-1:,!Ph,-2:,:4,`,
 36'3^40'6'9'12:?O,2'5'8'11:NH,1'4^180'*7^-60'*10^60'*14^60'35^-60:*/H,
 41'43'46:/OH,14'*35:*/OH,17'34^15:/Cl,38^180:*/COOH,
 10:,-60~wf,60,?O!,NH2,13:,!w,NH!,?O!,/??!,*/H^60,!z,NH!,
 23:,!O,!z,`.7,<?6,2:O,3^10:*/!OH,*4'5:*/OH,`,
 -1:,!z,O,!wb,`.7,<?6,6:O,*3^35'5:?w,3^-35:/NH2,4:/*OH
;
%------------------------------------------------------------------------------
CAT:marine toxine;EN:Okadaic acid;MW:805.00;LV:9
:
^30,?6,4:,?6,-4:,!4,^-12,?5,-3:,^-12,?6,-3=?6,-3:,!w,!3,
 ?6,-4:,?6,6:,!2,?z^-40,*/OH^20,!?O!,OH,
 3'38=wb,11=dl,15=dr,17'19=wf,5'7'16'24'25'33'42:O,
 32:*/H^60,10:?,12'31'*37:?w,27:?d,28:/OH,3'29:/*OH
;
%------------------------------------------------------------------------------
CAT:marine toxine;EN:Ciguatoxine-1B;MW:1111.31;LV:9
:
^30,?7,-5'-3=?6,-3'-3=?7,-4=?9,-3=?7,-4=?6,-3=?8,-5=?6,-3=?7,-4=?6,-2:,?5,
 -5=zf,-1=wb,6'19'28'32=db,2'11'12'20'21'32'33'41'42'51'52'60'64:O,
 1:/*H^60,3'9'13'18'22'30'34'39'43'49'53:/*H^-60,
 4'10'14'19'23^75'31^55'40'44'50'54:*/H^60,
 35^60'*46'56'*57'58:?w`.8,*8'36'*55'62:*/OH,
 1:,!,!dl,!,/*OH,!2,OH
;
%------------------------------------------------------------------------------
CAT:marine toxine;EN:Ciguatoxine-3C;MW:1023.25;LV:9
:
^30,?7,-5'-3=?6,-3=?7,-3=?8,-5=?9,-3=?7,-4=?6,-3=?8,-5=?6,-3=?7,-4=?6,-2:,?5,
 -5=zf,-1=wb,6'19'28'33=db,2'11'12'20'21'33'34'42'43'52'53'61'65:O,
 3'9'13'18^-65'22'31^-70'35^-55'40^-65'44'50'54:/*H^-60,
 4'10'14'19'23^75'32^65'41'45'51'55:*/H^60,
 36^60'*47'57'*58'59:?w`.8,*8'37'*56:*/OH
;
%------------------------------------------------------------------------------
CAT:marine toxine;EN:Maitotoxin;MW:3425.86;LV:9
:
^55.8,?6,-4=?7,-4'-3'-3'-3=?6,-3:,!4,?6,-4'-3'-3'-3=?6,-3:,!,?6,-3=?6,
 -3:,!4,60,^-30,?6,-3=?6,-3:,30,^30,?6,-3'-3=?6,-3=?7,-4'-3'-3=?6,
 -2:,!,?6,-3=?6,-3=?7,-3'-3=?6,-3=?8,-3=dl,-5'-3'-3'-3=?6,
 5'7'15'16'23'24'32'40'41'48'49'58'59'72'73'82'83'90'91'99'
   100'107'113'114'122'123'130'131'140'141'148'149:O,
 1^60'2'26'28'29'51'54'61'63'68'75^60'78'109:*/OH,
 11'20'35'45'52'55'65'69'86:/*OH,
 3'8'13'17'21'33'38'42'56'70'84'92'101'106'111'128'138'142'146'150:/*H^-60,
 4'14'22'34'39'43'*47'*57'*71'81'89'98'102'116'121'125'129'133:*/H^60,
 6'46'50'53'60'67'74:*/H^-60,
 9'18'85'93'112'139'143'147:?w^60`1,80'88'97'*108'115'120'124:?z^-60`1,
 $6:,!,<!11,60~dr,-60,60,OH,*2'7'10:*/OH,1'3'*8:?w,11:?d,12:?,6:,!O,30,SO3Na,
 $36:,-45~zf,O,30,SO3Na,
 $150:,!,<!7,1'2:/*OH,4:?w,5:?z,7=dl
;
%------------------------------------------------------------------------------