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-rw-r--r--graphics/mcf2graph/mcf_data_base.mcf11
1 files changed, 6 insertions, 5 deletions
diff --git a/graphics/mcf2graph/mcf_data_base.mcf b/graphics/mcf2graph/mcf_data_base.mcf
index 8d41567570..7e088381ab 100644
--- a/graphics/mcf2graph/mcf_data_base.mcf
+++ b/graphics/mcf2graph/mcf_data_base.mcf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.09.20
+% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.10.10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
@@ -1977,13 +1977,14 @@ Cat:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:1
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Trimetoprim;MW:290.323;EXA:1
+Cat:antibacterial;EN:Trimethoprim;MW:290.323;EXA:1
+
-<30,Ph,{1,5}:N,6:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!
+<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:1
+
-<30,Ph,3=?6,(2,7)=?6[4],7:N,11:O,9:/COOH,10://O,13:/_,@1,\,|,?6,{1,4}:N,4:/!
+<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:Ciprofloxacin;MW:331.347;EXA:1
+
@@ -2042,7 +2043,7 @@ Cat:antibacterial;EN:Sulfamethoxazole;MW:253.276;EXA:1
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Pirimethamin;MW:248.714;EXA:1
+
-<30,?6,{1,4}=dl,{1,5}:N,4:/!,6://NH,@3,\,Ph,-3:/Cl
+<30,Ph,6:/Cl,@3,\,Ph,{-2,-4}:N,-1:/!,{-3,-5}:/NH2
+------------------------------------------------------------------------------
Cat:antibacterial;EN:Oxibendazole;MW:249.27;EXA:-
+