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-rw-r--r--graphics/mcf2graph/mcf_library.mcf29
1 files changed, 15 insertions, 14 deletions
diff --git a/graphics/mcf2graph/mcf_library.mcf b/graphics/mcf2graph/mcf_library.mcf
index 61909067d0..3235ad1292 100644
--- a/graphics/mcf2graph/mcf_library.mcf
+++ b/graphics/mcf2graph/mcf_library.mcf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file mcf_library.mcf by Akira Yamaji 2022.10.10
+% molecular library file mcf_library.mcf by Akira Yamaji 2022.11.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
@@ -620,7 +620,7 @@ Cat:biological;EN:Febrifugine;MW:301.34;EXA:1
%------------------------------------------------------------------------------
Cat:biological;EN:Hypericin;MW:504.44;EXA:1
:
-<30,Ph,{-4,-3,(11,4),(16',17),19,(23',24),(22,29)}=?6,
+<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
;
@@ -706,7 +706,7 @@ Cat:biological;EN:Sesamine;MW:354.35;EXA:1
%------------------------------------------------------------------------------
Cat:biological;EN:Morphine;MW:285.343;EXA:1
:
-<30,Ph,{2,-4}=?6,(1,12)=?5[2],-1:O,-1=zb,
+<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
;
%------------------------------------------------------------------------------
@@ -728,7 +728,7 @@ Cat:biological;EN:Colchicine;MW:399.443;EXA:1
%------------------------------------------------------------------------------
Cat:biological;EN:Lycorine;MW:287.315;EXA:1
:
-<30,Ph,{-4,-2}=?6,{6,(9,12)}=?5,13=dl,8:N,{15,17}:O,
+<30,Ph,{-4,-2}=?6,{6,9--12}=?5,13=dl,8:N,{15,17}:O,
{9'^180,10^60}:*/H,{13,14'}:*/OH
;
%------------------------------------------------------------------------------
@@ -881,18 +881,17 @@ Cat:synthetic;EN:Chrysene;MW:228.3;EXA:-
%------------------------------------------------------------------------------
Cat:synthetic;EN:Pyrene;MW:202.25;EXA:-
:
-<30,Ph2,{6,4}=Ph,(16,7)=?6[3],-2=dl
+<30,Ph2,{6,4}=Ph,{16---7}=?6,-2=dl
;
%------------------------------------------------------------------------------
Cat:synthetic;EN:Coronene;MW:300.35;EXA: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
+<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:synthetic;EN:Kekulene;MW:600.7;EXA:1
:
-<30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,(-2',5'),(5',-4')}=?6,
+<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
;
%==============================================================================
@@ -1181,7 +1180,7 @@ Cat:antibiotics;EN:Emamectine;MW:886.133;EXA:1
:
<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,@-2,?6,-6=wf,-1=zb,-5=dl,
+ {-1,-3,-7}=dl,{-11-- -10}=?6,@-2,?6,-6=wf,-1=zb,-5=dl,
{-1,-6}:O,-3:*/_,@-2,\,*/_,!2,
17:/_,19:/*_,@18,\,O,!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##,
@-3,\,O,60,?6`.7,-5:O,#.5,-4:*/_,-3:/*NH!,-2:*/O!
@@ -1199,7 +1198,7 @@ Cat:antibiotics;EN:Spinosad;MW:731.968;EXA:2
Cat:antibiotics;EN:Natamycin;MW:665.733;EXA:1
:
<-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,
+ 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:*/_,{14^60,16}:*/OH,
@10,*\^15,O,90,?6`.7,-1:O,#.5,{-3,-5'}:*/OH,-4:/*NH2,-2:/*_
@@ -1881,7 +1880,7 @@ Cat:pesticide;EN:Pyrimethanil;MW:199.257;EXA:-
%------------------------------------------------------------------------------
Cat:pesticide;EN:Pyroquilon;MW:173.2;EXA:-
:
-<30,Ph,3=?6,10:N,9://O,(11,4)=?5
+<30,Ph,3=?6,10:N,9://O,{11_4}=?5
;
%------------------------------------------------------------------------------
Cat:pesticide;EN:Vinclozolin;MW:286.108;EXA:-
@@ -2307,10 +2306,12 @@ Cat:pesticide;EN:Indoxacarb;MW:527.837;EXA:-
<-6,Ph,3=?5,9=?6,15=dl,10:O,{12,13}:N,1:/Cl,8`1^-54:/COO!,
@12,\,//O,!,N,/COO!,!,Ph,@-3,\,O,!,CF3
;
+%------------------------------------------------------------------------------
Cat:pesticide;EN:Oxamyl;MW:219.3;EXA:-
:
<-30,!,N,?!,//O,!,/S!,!!,N,!,O,!,//O,!,NH,!
;
+%------------------------------------------------------------------------------
Cat:pesticide;EN:Oryzalin;MW:346.4;EXA:-
:
<30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3
@@ -2635,7 +2636,7 @@ Cat:antibacterial;EN:Sulfapyrizine;MW:249.288;EXA:-
%------------------------------------------------------------------------------
Cat:antibacterial;EN:Marbofloxacin;MW:362.361;EXA:-
:
-<30,Ph,{3,(2,7)}=?6,9=dl,6:/F,{7,13}:N,11:O,9:/COOH,10://O,13:/_,
+<30,Ph,{3,2--7}=?6,9=dl,6:/F,{7,13}:N,11:O,9:/COOH,10://O,13:/_,
@1,\,|,?6,{1,4}:N,4:/_
;
%------------------------------------------------------------------------------
@@ -2651,7 +2652,7 @@ Cat:antibacterial;EN:Trimethoprim;MW:290.323;EXA:-
%------------------------------------------------------------------------------
Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:-
:
-<30,Ph,{3,(2,7)}=?6,9=dl,7:N,11:O,
+<30,Ph,{3,2--7}=?6,9=dl,7:N,11:O,
6:/F,9:/COOH,10://O,13:/_,@1,\,|,?6,{1,4}:N,4:/_
;
%------------------------------------------------------------------------------
@@ -2770,7 +2771,7 @@ Cat:antibacterial;EN:Flubendazole;MW:313.288;EXA:-
%------------------------------------------------------------------------------
Cat:antibacterial;EN:Flumequine;MW:261.225;EXA:-
:
-<30,Ph,{3,(2,7)}=?6,9=dl,7:N,6:/F,9:/COOH,10://O,13:/_
+<30,Ph,{3,2--7}=?6,9=dl,7:N,6:/F,9:/COOH,10://O,13:/_
;
%------------------------------------------------------------------------------
34;Cat:antibacterial;EN:Sulfanitran;MW:335.334;EXA:-