diff options
Diffstat (limited to 'graphics/mcf2graph/mcf_library.mcf')
-rw-r--r-- | graphics/mcf2graph/mcf_library.mcf | 12 |
1 files changed, 6 insertions, 6 deletions
diff --git a/graphics/mcf2graph/mcf_library.mcf b/graphics/mcf2graph/mcf_library.mcf index 3235ad1292..bf01583d62 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 2022.11.06 +% molecular library file mcf_library.mcf by Akira Yamaji 2022.11.12 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line "%" comment out @@ -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,-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 ; %------------------------------------------------------------------------------ @@ -881,7 +881,7 @@ Cat:synthetic;EN:Chrysene;MW:228.3;EXA:- %------------------------------------------------------------------------------ Cat:synthetic;EN:Pyrene;MW:202.25;EXA:- : -<30,Ph2,{6,4}=Ph,{16---7}=?6,-2=dl +<30,Ph2,{6,4}=Ph,16---7=?6,-2=dl ; %------------------------------------------------------------------------------ Cat:synthetic;EN:Coronene;MW:300.35;EXA:1 @@ -1180,7 +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! @@ -1198,7 +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:/*_ @@ -1880,7 +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:- |