path: root/graphics/mcf2graph/mcf_data_base.mcf

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% molecular data base file    mcf_data_base.mcf   by Akira Yamaji   2021.04.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%  tag1:var1;tag2:var2;tag3:var3 .....
%  first character of line '%' comment out
%  first character of line '+' begin MCF , end MCF
%  Cat = Category
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%==============================================================================
% molecular data for mcf_example.tex  No.1-155
%==============================================================================
Cat:biological;EN:Adenine;MW:135.13
+
<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+------------------------------------------------------------------------------
Cat:biological;EN:Guanine;MW:151.13
+
<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2
+------------------------------------------------------------------------------
Cat:biological;EN:Cytosine;MW:111.10
+
<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
+------------------------------------------------------------------------------
Cat:biological;EN:Thymine;MW:126.11
+
<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
+------------------------------------------------------------------------------
Cat:biological;EN:Uracil;MW:112.09
+
<30,?6,6=dl,{3,5}://O,{2,4}:NH
+------------------------------------------------------------------------------
Cat:biological;EN:Geraniol;MW:154.25
+
<30,!8,OH,{2,6}=dr,{2,6}:/_
+------------------------------------------------------------------------------
Cat:biological;EN:Limonene;MW:136.24
+
<30,?6,2=dl,2:/_,@5,*\,/_,!!
+------------------------------------------------------------------------------
Cat:biological;EN:l-Menthol;MW:156.27
+
<30,?6,2:/*?!,5:*/_,3:*/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Vanillin;MW:152.15
+
<30,Ph,2:/OH,3:/O!,5:/CHO
+------------------------------------------------------------------------------
Cat:biological;EN:Allicin;MW:162.28
+
<-30,!!,!2,SO,!,S,!2,!!
+------------------------------------------------------------------------------
Cat:biological;EN:Stearic acid;MW:284.48
+
<30,!17,COOH
+------------------------------------------------------------------------------
Cat:biological;EN:Linoleic acid;MW:280.45
+
<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr
+------------------------------------------------------------------------------
Cat:biological;EN:Sphingosine;MW:299.50
+
<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
+------------------------------------------------------------------------------
Cat:biological;EN:Tocopherol;MW:430.717
+
<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_
+------------------------------------------------------------------------------
Cat:biological;EN:Carotene;MW:536.8726
+
<30,?6,4=dl,3:??,5:/_,
  @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,?6,-6=dl,-5:/_,-1:??
+------------------------------------------------------------------------------
Cat:biological;EN:Adrenalin;MW:183.21
+
<30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,!
+------------------------------------------------------------------------------
Cat:biological;EN:Caffeine;MW:194.194
+
<30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!
+------------------------------------------------------------------------------
Cat:biological;EN:Nicotine;MW:162.23
+
<30,Ph,2:N,@4,\,?5,8:N!
+------------------------------------------------------------------------------
Cat:biological;EN:Capsaicin;MW:305.418
+
<30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl
+------------------------------------------------------------------------------
Cat:biological;EN:Thiamine;MW:300.81
+
<30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
  @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15
+------------------------------------------------------------------------------
Cat:biological;EN:Gibberellin A3;MW:346.379
+
<18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb,
  @5,40~zf`1,O,50,//O^180,&14~zb,
  2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60
+------------------------------------------------------------------------------
Cat:biological;EN:Cholesterol;MW:386.664
+
<30,?6,{-4,-2}=?6,-4=?5,7=dl,
 1:*/OH,{4,12}:*/_^60,10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,@-1,17,/*_,!4,?!
+------------------------------------------------------------------------------
Cat:biological;EN:Riboflavin;MW:376.37
+
<30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
  @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH
+------------------------------------------------------------------------------
Cat:biological;EN:Resveratrol;MW:228.24
+
<30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Glutathione;MW:307.33
+
<-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH
+------------------------------------------------------------------------------
Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876
+
<30,Ph,{1,2,3,4,5,6}:/Ph
+------------------------------------------------------------------------------
Cat:synthetic;EN:Kekulene;MW:600.7
+
<30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6,
{8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl
+------------------------------------------------------------------------------
Cat:synthetic;EN:18-Crown-6;MW:264.32
+
<-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
+
<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
+
<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
+
<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
+
<30,Ph,{2,4,6}:N,{1,3,5}:/NH2
+------------------------------------------------------------------------------
Cat:synthetic;EN:Sudan red 1;MW:248.28
+
<30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph
+------------------------------------------------------------------------------
Cat:synthetic;EN:Basic blue 1;MW:319.86
+
<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_,@(4.2,1.5),Cl,n_^15
+------------------------------------------------------------------------------
Cat:synthetic;EN:Disperse violet 1;MW:238.25
+
<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2
+------------------------------------------------------------------------------
Cat:synthetic;EN:Vat blue 1;MW:262.27
+
<30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O
+------------------------------------------------------------------------------
Cat:pesticide;EN:Atrazine;MW:215.7
+
<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!
+------------------------------------------------------------------------------
Cat:pesticide;EN:BHC;MW:290.83
+
<30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:pp-DDT;MW:354.49
+
<30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Endrin;MW:380.91
+
<30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
  @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Acrinathrin;MW:541.45
+
<-30,?3,2^-35:*/_,2^35:/*_,
 @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph
+------------------------------------------------------------------------------
Cat:pesticide;EN:Cafenstrole;MW:350.4
+
<30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2
+------------------------------------------------------------------------------
Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19
+
<30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2,
  @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
+------------------------------------------------------------------------------
Cat:pesticide;EN:Carboxin;MW:235.301
+
<30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph
+------------------------------------------------------------------------------
Cat:pesticide;EN:Clomazone;MW:239.7
+
<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O
+------------------------------------------------------------------------------
Cat:pesticide;EN:Halfenprox;MW:477.4
+
<30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,60,Ph
+------------------------------------------------------------------------------
Cat:pesticide;EN:Paraquat;MW:257.16
+
Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90,@(5,1),Cl,n_^15,@(-0.5,1),Cl,n_^15
+------------------------------------------------------------------------------
Cat:pesticide;EN:Picolinafen;MW:376.331
+
<30,Ph,5:/CF3,@3,\,O,!,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F
+------------------------------------------------------------------------------
Cat:pesticide;EN:Quinoxyfen;MW:308.13
+
<30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F
+------------------------------------------------------------------------------
Cat:pesticide;EN:Quitozene;MW:295.3
+
<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2
+------------------------------------------------------------------------------
Cat:pesticide;EN:Bitertanol;MW:337.4
+
<30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N
+------------------------------------------------------------------------------
Cat:pesticide;EN:Bifenox;MW:342.14
+
<30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2
+------------------------------------------------------------------------------
Cat:pesticide;EN:Simeconazole;MW:293.417
+
<36,?5,{1,3,5}:N,{1,4}=dl,@3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F
+------------------------------------------------------------------------------
Cat:pesticide;EN:Fenamidone;MW:311.403
+
<18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph
+------------------------------------------------------------------------------
Cat:pesticide;EN:Fenpyroximate;MW:421.49
+
<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me,@3,\^-15,O,!,Ph,
 @4,\,!~dr,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4
+------------------------------------------------------------------------------
Cat:pesticide;EN:Chlorsulron;MW:380.648
+
<30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Enrofloxacin;MW:359.401
+
<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:N,4:/!
+------------------------------------------------------------------------------
Cat:pesticide;EN:Fenitrothion;MW:277.23
+
<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2
+------------------------------------------------------------------------------
Cat:pesticide;EN:Fipronil;MW:437.2
+
<30,Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,
  @-2,\,S,//O,!,CF3
+------------------------------------------------------------------------------
Cat:pesticide;EN:Flumequine;MW:261.225
+
<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_
+------------------------------------------------------------------------------
Cat:pesticide;EN:Imazalil;MW:297.2
+
<-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Imidacloprid;MW:255.662
+
<30,Ph,1:N,6:/Cl,@3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)
+------------------------------------------------------------------------------
Cat:pesticide;EN:Kresoxim-Methyl;MW:313.348
+
<30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Nalidixic acid;MW:232.239
+
<30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Oryzalin;MW:346.4
+
<30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Oxadiazon;MW:345.2
+
<30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Oxadixyl;MW:278.3
+
<30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Oxyfluorfen;MW:361.701
+
<30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Sulfadimidine;MW:278.33
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Sulfamerazine;MW:264.303
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Sulfadoxine;MW:310.328
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Sulfamethoxazole;MW:253.276
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Thiamethoxam;MW:291.71
+
<30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Thiamphenicol;MW:355
+
<30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Pyridaphenthion;MW:340.334
+
<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph
+------------------------------------------------------------------------------
Cat:pesticide;EN:Permethrin;MW:391.288
+
<-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl),@3,\,//O,!,O,!2,|,Ph,@3,\,O,-60,Ph
+------------------------------------------------------------------------------
Cat:pesticide;EN:Isoprothiolane;MW:290.392
+
<-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!
+------------------------------------------------------------------------------
Cat:pesticide;EN:Oxine-Copper;MW:351.852
+
Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||,@4,&12~vf,@23,&12~vf
+------------------------------------------------------------------------------
Cat:pesticide;EN:Tetraconazole;MW:372.145
+
<-6,?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Endosulfan;MW:406.904
+
<26,?7,7=?6[13],@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
+
<30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Oxadiargyl;MW:341.19
+
<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Oxaziclomefone;MW:376.277
+
<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Trimetoprim;MW:290.323
+
<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Ciprofloxacin;MW:331.347
+
<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Danofloxacin;MW:357.385
+
<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,
 @1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_
+------------------------------------------------------------------------------
Cat:pesticide;EN:Marbofloxacin;MW:362.361
+
<30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!,
 @1,\,|,?6,1:N,4:N!
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Ofloxacin;MW:361.373
+
<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_,
 @1,\,|,?6,{1,4}:N,4:/_
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Ormetoprim;MW:274.324
+
<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Amoxicillin;MW:365.4042
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
 @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Ampicillin;MW:349.405
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, 
 @4,*\^15,NH,!,//O,!,/*NH2,!,Ph       
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Benzyl-Penicillin;MW:334.4
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
 @4,*\^15,NH,!,//O,!,!,Ph
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Mecillinam;MW:325.4264
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
 @4,*\^15,N,!!,!,?7,-7:N
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Nafcillin;MW:414.4748
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
 @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2  
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Oxacillin;MW:401.4363
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
 @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,@-1,\^-24,Ph
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cloxacillin;MW:435.8813
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
  @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,@-1,\^-24,Ph,-5:/Cl
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Dicloxacillin;MW:470.3264
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
  @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
  @-1,\^-24,Ph,{-1,-5}:/Cl
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefalexin;MW:347.3889
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,6:/_,
 @4,*\^15,NH,!,//O,!,*/NH2,!,Ph
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefalonium;MW:458.5107
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40,
  @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
  @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefazorin;MW:454.51
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
  @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
  @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefquinome;MW:528.6
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40,
  @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
  @6,\,!,Ph,-2=?6,-10:N,-10:p_^180
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Ceftiofur;MW:523.5626
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
  @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
  @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefuroxime;MW:424.3852
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
  @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O,@6,\,!,O,!,//O,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Apramycin;MW:539.58
+
<30,?6,-4=?6,{2,10}:O,@1,\*,O,60~zb,?6,@9,\*,O,-60~zb,?6,-5:O,
  {7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt,
  -4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Gentamycin;MW:477.596
+
<-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\*,O,0~zb,?6,-5:O,{2,4}:*/NH2,20:/*NH2,6:*/OH,
  11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Kanamycin;MW:484.499
+
<-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\,O,0,?6,-5:O,
  {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:DihydroStreptmycin;MW:583.574
+
<54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6,
  {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
  @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Fradiomycin;MW:614.644
+
<30,?6,3:O,2:/*!NH2,1:*/OH,6:/*OH,5:*/NH2,
  @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
  @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
  @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Streptmycin;MW:581.574
+
<54,?5,3:O,4:/*_,5:/OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6,
  @5,\^-48,!!,O,{10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
  @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Neospiramycin;MW:698.9
+
<-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:/*_,6:/*O!>vt,
  @-6,\*,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
  @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH,@8,\*,!,!!,O
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Emamectine;MW:886.133
+
<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60,
  @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
  {-1,-3,-7}=dl,(-11,-10)=?6[4],@-2,?6,-6=wf,-1=zb,-5=dl,
  {-1,-6}:O,-3:*/_,@-2,\,*/_,!2,
  17:/_,19:/*_,@18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!,
  @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Spinosad;MW:731.968
+
<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}:*/H,{-2^-60}:/*H,-2=?5,2:O,{3^25,7^-25}://O,1:/!,
 @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!,8~wf:/Me,5^-65~wf:/H,
 @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?!
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Spiramycin;MW:843.1
+
<-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}:/*_,5:/*OH,3://O,6:/*O!>vt,
 @-6,\*^-30,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
 @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,
   @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,
 @8,\*,!,!!,O
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Natamycin;MW:665.733
+
<-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[4],##,
 {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:*/_,{14^60,16}:*/OH,
 @10,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Tylocin;MW:916.10
+
<-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:/*_,6:/*_,-6://O,-3:/_,
 @-1,*\,-60,O,0~wb,?6`.7,-5:O,-3:/*OH,-4:*/_,{-1,-2}:/*O!,
 @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,
   @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,
 @8,\*,!,!!,O
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Tilmicosin;MW:869.133
+
<-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}:/*_,14:/_,
 @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_,
 @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_,
 @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Chlortetracyclin;MW:478.88
+
<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl,
 {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Oxytetracyclin;MW:460.434
+
<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH,
{5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Tetracyclin;MW:444.435
+
<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,
 {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Doxycyclin;MW:444.43
+
<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_,
 {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,@17,\,//O,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Tiamulin;MW:493.74
+
<-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb,
 {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60,
 @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Rifampicin;MW:822.94
+
<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,|,-8=?6,{2,4}=dl,{1,4}:/OH,
 #1,@-2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
 */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8),
 -4:/*O!,@-6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N!
+------------------------------------------------------------------------------
Cat:biological;EN:Trenbolone;MW:270.37
+
<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60
+------------------------------------------------------------------------------
Cat:biological;EN:Luciferin;MW:280.33
+
<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
+
<-36,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,@6,22,70,&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:/!!,25:/*COO!,26://O,
 @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
+------------------------------------------------------------------------------
Cat:biological;EN:Quercetin;MW:302.24
+
<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
+
<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~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H,
 @14,\*,|,?5,{1,4}=dl,3:O
+------------------------------------------------------------------------------
Cat:biological;EN:Cromolyn;MW:468.37
+
<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
@$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH
+------------------------------------------------------------------------------
Cat:biological;EN:Emetine;MW:480.649
+
<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,             
@-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O! 
+------------------------------------------------------------------------------
Cat:biological;EN:Acronycine;MW:321.376
+
<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
+
<30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N
+------------------------------------------------------------------------------
Cat:biological;EN:Febrifugine;MW:301.346
+
<30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Mitomycine C;MW:334.332
+
<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,\,!,O,60,//O,!,NH2
+------------------------------------------------------------------------------
Cat:biological;EN:Podophyllotoxin;MW:414.41
+
<0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,       
@10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H  
+------------------------------------------------------------------------------
Cat:biological;EN:Warfarin;MW:308.333
+
<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,!
+------------------------------------------------------------------------------
Cat:biological;EN:Genistein;MW:270.24
+
<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Baicalein;MW:270.24
+
<30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph
+------------------------------------------------------------------------------
Cat:biological;EN:Reserpine;MW:608.688
+
<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,{15^-60,16^60}:/*H,                       
@20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr  
+------------------------------------------------------------------------------
Cat:biological;EN:Rotenone;MW:394.423
+
<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr,            
{2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!! 
+------------------------------------------------------------------------------
Cat:biological;EN:Pyrethrin I;MW:328.452
+
<30,?3,{3^35~wf,3^-35~zf}:/_,@1,*\,!!,?!,
@2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl
+------------------------------------------------------------------------------
Cat:biological;EN:Oseltamivir;MW:312.40
+
<30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2
+------------------------------------------------------------------------------
Cat:biological;EN:Paclitaxel;MW:853.918
+
?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:/*H^-60,9:*/_^60,10://O,
@1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
@7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr
+------------------------------------------------------------------------------
Cat:biological;EN:Mevastatin;MW:390.52
+
<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,                      
@10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2 
+------------------------------------------------------------------------------
Cat:biological;EN:Sesamine;MW:354.35
+
<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12
+------------------------------------------------------------------------------
Cat:biological;EN:Morphine;MW:285.343
+
<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-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
+
<30,Ph,3=Ph,7:N,6:/O!,
@10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb
+------------------------------------------------------------------------------
Cat:biological;EN:Atoropin;MW:289.375
+
<30,O,!,//O,!,!,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv 
+------------------------------------------------------------------------------
Cat:biological;EN:Colchicine;MW:399.443
+
<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!
+------------------------------------------------------------------------------
Cat:biological;EN:Lycorine;MW:287.315
+
<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O,
9:/*H^180,10:*/H^60,13:*/OH,14:/*OH
+------------------------------------------------------------------------------
Cat:biological;EN:Ibotenic acid;MW:158.113
+
<18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!,COOH
+------------------------------------------------------------------------------
Cat:biological;EN:illudin S;MW:264.3
+
<30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_,
 {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35
+------------------------------------------------------------------------------
Cat:biological;EN:Muscarine;MW:174.26
+
<18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,!
+------------------------------------------------------------------------------
Cat:biological;EN:Psilocybin;MW:284.248
+
<30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH,@7,\,!,-60,N?!
+------------------------------------------------------------------------------
Cat:biological;EN:Tetrodotoxine;MW:319.27
+
#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,{2,6^180}:NH
+------------------------------------------------------------------------------
Cat:biological;EN:Aflatoxin B1;MW:312.27
+
<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
  2:/O!,{8,11}://O,{15^-54,16^54}:*/H
+------------------------------------------------------------------------------
%==============================================================================
% other molecular data
%==============================================================================
Cat:antibiotics;EN:Vancomycin;MW:1449.25
+
<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
  Ph,-4:/Cl,@-3,\,O,!,Ph,@-4,\,O,!,Ph,-1^15:/Cl,@-3,\,/*OH,*/H^-60,&1,
  @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
  Ph,{-2,-4}:/OH,@-1,\,Ph,-5:/OH,@-2,&4,##,
  {3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
  @10,*\^-60,60,//O,!,NH2,@13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
  @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
  @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Maitotoxin;MW:3425.86
+
<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,@-3,\,!3,?6,{-4,-3,-3,-3}=?6,@-3,\,?6,-3=?6,
  @-3,\,!3,60,<-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,{47,57,71}:/*H^60,
  {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
  {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60,
  {6,46,50,53,60,67,74}:*/H^-60,
  {9,18,85,93,112,139,143,147}:*/_`1^60,
  {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
  @$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
           @6,\,O,30,SOO,30,"O{Na}",
  @$36,-45~zf,O,30,SOO,30,"O{Na}",
  @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
+------------------------------------------------------------------------------
Cat:biological;EN:Okadaic acid;MW:805.00
+
<30,?6,@4,?6,@-4,\,!3,<-12,?5,@-3,<-12,?6,-3=?6,@-3,*\,!3,
  ?6,@-4,?6,@6,\,!,/*Me^-40,*/OH^20,!,//O,!1,OH,
  3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
  32:*/H^60,10:/Me,{12,31}:*/_,27://_,37:/*_,28:/OH,{3,29}:/*OH
+------------------------------------------------------------------------------