texlive[73704] Master/texmf-dist: mcf2graph (2feb25)
commits+karl at tug.org
commits+karl at tug.org
Sun Feb 2 22:00:14 CET 2025
Revision: 73704
https://tug.org/svn/texlive?view=revision&revision=73704
Author: karl
Date: 2025-02-02 22:00:14 +0100 (Sun, 02 Feb 2025)
Log Message:
-----------
mcf2graph (2feb25)
Modified Paths:
--------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
trunk/Master/texmf-dist/metapost/mcf2graph/main_lib.mcf
trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mp
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,6 +1,12 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2025-01-13
+ Changelog of mcf2graph software package by Akira Yamaji 2025-02-02
*******************************************************************************
+[ver. 5.18 / 2025-02-02]
+ -fix bug in MOL file output
+ -update mcf2graph.mp
+ -update main_lib.mcf
+ -update MCF manual,example
+
[ver. 5.17 / 2025-01-13]
-fix bug in group length inside group
-delete group command **
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with MetaPost
Author : Akira Yamaji
- version : 5.17 2025-01-13
+ version : 5.18 2025-02-02
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -50,7 +50,7 @@
(9) >mpost -s ahlength=7 filename.mp => output report file
5. License
- mcf2graph ver 5.17 Copyright (c) 2013-2025 Akira Yamaji
+ mcf2graph ver 5.18 Copyright (c) 2013-2025 Akira Yamaji
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF metapost souce file example by Akira Yamaji 2025.01.13
+% MCF metapost souce file example by Akira Yamaji 2025.02.02
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%------------------------------------------------------------------------------
%%%%ahlength:=3; %%% output figure(expanded)
@@ -7,8 +7,8 @@
%%%%ahlength:=6; %%% output MOL(V3000) ** max 500files
%%%%ahlength:=7; %%% output report
%------------------------------------------------------------------------------
-input mcf2graph; %%% it must be version 5.17
-message "* mcf_template 2025.01.13";
+input mcf2graph; %%% it must be version 5.18
+message "* mcf_template 2025.02.02";
message "";
%------------------------------------------------------------------------------
%%%%sw_output:=Fig+Report;
@@ -27,7 +27,7 @@
%%%%sw_comment:=1; loadm("CAT=biological","MW>=100","MW<=250","a:MW");
%%%%savem("temp.mcf"); % save to temp.mcf
%%%%loadm("EN<>*"); % select all
-loadm("EXA=1"); % select EXA=1
+loadm("EXA=9"); % select EXA=1
%------------------------------------------------------------------------------
for i=1 upto ucount: beginfigm $(i) \\ endfigm endfor
%******************************************************************************
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2025.01.13
+% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2025.02.02
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.17
+% ** mcf2graph.mf must be version 5.18
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
%-------------------------------------------------------------------------
@@ -12,31 +12,23 @@
\mplibnumbersystem{double}
\mpliblegacybehavior{disabled}
%-------------------------------------------------------------------------
-\pagestyle{headings}
-\topmargin=-22mm
-\oddsidemargin=-12mm
-\textwidth=190mm
-\textheight=280mm
-\parindent=0mm
-\newcount\headeroff
-\headeroff=0
-\makeatletter
+%\pagestyle{headings}
+\topmargin=-27mm%
+\oddsidemargin=-12mm%
+\textwidth=190mm%
+\textheight=280mm%
+\parindent=0mm%
+\newcount\headeroff%
+\headeroff=0%
+\makeatletter%
%-------------------------------------------------------------------------
\begin{document}
-\ifnum\z@=\headeroff%
\begin{center}
- {\Huge\sf Molecular Coding Format examples} \vspace{5mm} \\
- Author : Akira Yamaji \quad Date : \today \\
- Located at : http://www.ctan.org/pkg/mcf2graph
+ {\Huge\sf Molecular Coding Format examples} \vspace{4mm} \\
+ Author : Akira Yamaji \quad Date : \today \quad
+ Located at : http://www.ctan.org/pkg/mcf2graph \\
\end{center}
-{\small *use 'mcf2grapf.mp' ver 5.17 \quad
- *typeset with LuaLaTeX \quad
- *use molecular library file 'main\_lib.mcf' \\
- ** FM(fm):molecular formula (calculated) \quad
- * MW(mw):molecular weight (calculated)} \vspace{3mm} \\
-\fi%
%-------------------------------------------------------------------------
-\noindent%
\newbox \fig at box%
\newcount \fig at num%
\newcount \col at num%
@@ -45,7 +37,6 @@
\fig at num=0%
\col at num=0%
\unitlength=0.01mm%
-\noindent%
%-------------------------------------------------------------------------
\newif\ifCONT@%
\CONT at true%
@@ -52,60 +43,99 @@
%-------------------------------------------------------------------------
\begin{mplibcode}
input mcf2graph;
- fsize:=(35mm,24mm);
- max_blength:=4mm;
+ def make_frame=
+ draw (0,0)--(185mm,0)--(185mm,h)--(0,h)--cycle wpcs thickness_frame;
+ draw (w,h-header_h)--(185mm,h-header_h) wpcs thickness_frame;
+ draw (w,h)--(w,0) wpcs thickness_frame;
+ for col_w=85mm,110mm,130mm,150mm:
+ draw (col_w,h)--(col_w,h-header_h) wpcs thickness_frame;
+ endfor
+ enddef;
+%--------------------------------------------------------------
+ loadm("EN=Benzene");
+ fig_num:=0;
+ beginfigm
+ fsize:=(50mm,8mm);
+ fmargin:=(6mm,2mm);
+ mposition:=(1,0.5);
+ max_blength:=3.5mm;
+ row_h:=3.8mm;
+ header_h:=3.8mm;
+ getm(fig_num);
+ if checkm(mc)=0:
+ drawm(scantokens(mc))
+ ext(
+ defaultfont:="uhvr8r"; defaultscale:=0.5;
+ label.lrt("[No]",(0,h));
+ defaultscale:=0.6;
+ label.lrt("Name",(w,h));
+ label.rt("Molecular structure",(0mm,0.5h));
+ label.lrt("Category",(85mm,h));
+ label.lrt("Molecular Weight",(110mm,h));
+ label.lrt("MW calculated",(130mm,h));
+ label.lrt("Composition Formula calculated",(150mm,h));
+ label.lrt("Molecular Coding Format",(50mm,h-11.5));
+ make_frame;
+ )
+ fi
+ endfigm
+%--------------------------------------------------------------
loadm("EXA=1");
+ fig_num:=0;
+ fsize:=(50mm,15.2mm);
+ fmargin:=(8mm,0.5mm);
+ max_blength:=3.3mm;
+ row_h:=3.8mm;
+ header_h:=3.8mm;
\end{mplibcode}
-%-------------------------------------------------------------------------
+%------------------------------------------------------------------------------
+\CONT at true%
+\fig at num=0%
+\noindent%
\loop%
\advance\fig at num\@ne\relax%
-\advance\col at num\@ne\relax%
-\ifnum\fig at num=516 \CONT at false%
+\ifnum\fig at num=539 \CONT at false%
\else%
-\sbox{\fig at box}{%
-\begin{mplibcode}
+\begin{mplibcode}%
beginfigm
getm(fig_num);
if checkm(mc)=0:
drawm(scantokens(mc))
+ ext(
+ defaultfont:="uhvr8r"; defaultscale:=0.8;
+ label.lrt("["&decimal(fig_num)&"]",(0,2h)) scaled 0.5;
+ if length(EN)>20: defaultscale:=20/length(EN)*0.8; label.lrt(EN,(w,h)); defaultscale:=0.8;
+ else: label.lrt(EN,(w,h));
+ fi
+ label.lrt(CAT,(85mm,h));
+ label.lrt(MW,(110mm,h));
+ label.lrt(mw,(130mm,h));
+ label.lrt(fm,(150mm,h));
+ make_frame;
+ defaultfont:="cmtt9"; defaultscale:=1; row_h:=10;
+ for i=1 upto mc_row:
+ label.lrt(mc[i],(w+mc_indent[i]*4.25,h-(i-1)*row_h-11.5));
+ endfor
+ )
VerbatimTeX("\gdef\EN{"&EN&"}");
- VerbatimTeX("\gdef\MW{"&MW&"}");
- VerbatimTeX("\gdef\mw{"&mw&"}");
- VerbatimTeX("\gdef\fm{"&fm&"}");
- fi
+ fi
endfigm
-\end{mplibcode}
-}%
+\end{mplibcode}\vspace{-1.2pt}\\
%------------------------------------------------------------------------
- \message{[\the\fig at num:\EN]}%
- \begin{picture}(3750,3350)%
- \put(20,3000){\footnotesize\bf \EN}%
- \put(20,2750){\labelM MW:\MW { / }fm:\fm}%
- \put(20,2530){\labelM mw:\mw { / }[\the\fig at num]}%
- \put(0,0){\makebox(3750,2530){\usebox{\fig at box}}}%
- \end{picture}%
- \ifnum\col at num=5 \\ \col at num=\z@ \fi%
\fi%
-%------------------------------------------------------------------------
-\ifCONT@\repeat%
-\newpage
+\message{[\the\fig at num:\EN]}%
+\ifCONT@ \repeat%
+%------------------------------------------------------------------------------
+\newpage%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{mplibcode}
loadm("EXA=2");
fig_num:=0;
- fsize:=(50mm,33mm);
- fmargin:=(4mm,4mm);
+ fsize:=(50mm,34mm);
+ fmargin:=(2mm,2mm);
max_blength:=4mm;
row_h:=3.8mm;
header_h:=3.8mm;
- def make_frame=
- draw (0,0)--(185mm,0)--(185mm,h)--(0,h)--cycle wpcs thickness_frame;
- draw (w,h-header_h)--(185mm,h-header_h) wpcs thickness_frame;
- draw (w,h)--(w,0) wpcs thickness_frame;
- for col_w=85mm,110mm,130mm,150mm:
- draw (col_w,h)--(col_w,h-header_h) wpcs thickness_frame;
- endfor
- enddef;
\end{mplibcode}
%------------------------------------------------------------------------------
\noindent%
@@ -113,7 +143,7 @@
\fig at num=0%
\loop%
\advance\fig at num\@ne\relax%
-\ifnum\fig at num=41 \CONT at false%
+\ifnum\fig at num=25 \CONT at false%
\else%
\begin{mplibcode}%
beginfigm
@@ -121,15 +151,10 @@
if checkm(mc)=0:
drawm(scantokens(mc))
ext(
- defaultfont:="cmtt9";
- label.lrt("["&decimal(fig_num)&"]",(0,h));
- label.llft(EXA,(w,h));
- if length(EN)>23:
- nA:=defaultscale;
- defaultscale:=23/length(EN); label.lrt(EN, (w,h));
- defaultscale:=nA;
- else:
- label.lrt(EN, (w,h));
+ defaultfont:="uhvr8r"; defaultscale:=0.8;
+ label.lrt("["&decimal(fig_num)&"]",(0,2h)) scaled 0.5;
+ if length(EN)>20: defaultscale:=20/length(EN); label.lrt(EN,(w,h)); defaultscale:=1;
+ else: label.lrt(EN,(w,h));
fi
label.lrt(CAT,(85mm,h));
label.lrt(MW,(110mm,h));
@@ -136,18 +161,21 @@
label.lrt(mw,(130mm,h));
label.lrt(fm,(150mm,h));
make_frame;
- if mc_row>12: defaultscale:=0.6; row_h:=5.25;
- ef mc_row>8: defaultscale:=0.8; row_h:=6.5;
- else: row_h:=10;
+ if mc_row>12: defaultscale:=0.6; row_h:=5.8;
+ ef mc_row>7: defaultscale:=0.8; row_h:=6.5;
+ ef mc_row>6: row_h:=10;
+ ef mc_row>5: row_h:=11;
+ else: row_h:=12;
fi
+ defaultfont:="cmtt9";
for i=1 upto mc_row:
- label.lrt(mc[i],(w+mc_indent[i]*4.25,h-(i-1)*row_h-11.5));
+ label.lrt(mc[i],(w+mc_indent[i]*4.25,h-(i-1)*row_h-12));
endfor
)
VerbatimTeX("\gdef\EN{"&EN&"}");
- fi
+ fi
endfigm
-\end{mplibcode}\vspace{-1.5pt}\\
+\end{mplibcode}\vspace{-1.2pt}\\
%------------------------------------------------------------------------
\fi%
\message{[\the\fig at num:\EN]}%
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2025.01.13
+% Molecular Coding Format manual by Akira Yamaji 2025.02.02
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.17
+% ** mcf2graph.mf must be version 5.18
% ** use main_lib.mcf
% ** typeset by LuaLaTeX(luamplib)
%----------------------------------------------------------------------------
@@ -37,7 +37,7 @@
\author{Akira Yamaji}
\date{\today}
\maketitle
-\begin{center} mcf2graph version 5.17 \end{center}
+\begin{center} mcf2graph version 5.18 \end{center}
\begin{center} Located at http://www.ctan.org/pkg/mcf2graph \end{center}
\begin{center} Suggestion or request mail to: mcf2graph at gmail.com \end{center}
%-----------------------------------------------------------------------------
@@ -1879,6 +1879,30 @@
sw_numbering:=Atom+Bond; \(<-30,!9)
endfigm
\end{mplibcode}
+%------------------------------------------------------
+\begin{verbatim}
+sw_numbering:=Atom+Bond;
+\end{verbatim}
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm
+ #(60mm,12mm);
+ ratio_chain_ring:=1;
+ sw_numbering:=Atom+Bond; \(<-30,!9,3'5'7'9:?w`.66)
+endfigm
+\end{mplibcode}
+%------------------------------------------------------
+\begin{verbatim}
+sw_numbering:=Atom+Bond+All;
+\end{verbatim}
+%------------------------------------------------------
+\begin{mplibcode}
+beginfigm
+ #(60mm,12mm);
+ ratio_chain_ring:=1;
+ sw_numbering:=Atom+Bond+All; \(<-30,!9,3'5'7'9:?w`.66)
+endfigm
+\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Trimming mode}
\index{sw\_trimming}%
@@ -2042,9 +2066,6 @@
beginfigm
\(Ph)
endfigm
-beginfigm
- \(Ph)
-endfigm
\end{verbatim}
%------------------------------------------------------
\quad
@@ -2060,9 +2081,6 @@
beginfigm
\(Ph)
endfigm
-beginfigm
- \(Ph)
-endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
\newpage
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf template file mcf_template.mcf by Akira Yamaji 2025.01.13
+% mcf template file mcf_template.mcf by Akira Yamaji 2025.02.02
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% must use version 5.17
+% must use version 5.18
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
% first character of line ":" start MCF
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF compile template file by Akira Yamaji 2025.01.13
+% MCF compile template file by Akira Yamaji 2025.02.02
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%------------------------------------------------------------------------------
%%%%ahlength:=3; %%% output figure(expanded)
@@ -7,8 +7,8 @@
%%%%ahlength:=6; %%% output MOL(V3000) ** max 500files
%%%%ahlength:=7; %%% output report
%------------------------------------------------------------------------------
-input mcf2graph; %%% it must be version 5.17
-message "* mcf_template 2025.01.13";
+input mcf2graph; %%% it must be version 5.18
+message "* mcf_template 2025.02.02";
message "";
%------------------------------------------------------------------------------
%%%%sw_output:=Fig+Report;
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/main_lib.mcf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/main_lib.mcf 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/main_lib.mcf 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file main_lib.mcf by Akira Yamaji 2025.01.13
+% molecular library file main_lib.mcf by Akira Yamaji 2025.02.02
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% must use version 5.17
+% must use version 5.18
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
% first character of line ":" start MCF
@@ -12,7 +12,7 @@
% CAT = CATegory,EN = Name,MW = Molecular weight
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%==============================================================================
-CAT:Example;EN:Example 0;MW:0;EXA:-;
+CAT:nucleic acid;EN:Adenine;MW:135.13;EXA:-
=
sw_frame:=Atom;
:
@@ -119,7 +119,7 @@
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Glutamine;MW:146.15;EXA:1
:
-<30,NH2,!wb,!COOH, at 2,!2`1,!,?O!,NH2
+<30,NH2,!wb,!COOH, at 2,!2`1,!?O!,NH2
;
%------------------------------------------------------------------------------
CAT:amino acid;EN:L-Asparagine;MW:132.12;EXA:1
@@ -204,7 +204,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Fumarate;MW:116.07;EXA:1
:
-<30,COOH,!,!d,!COOH
+<30,COOH,!!d,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Malate;MW:134.09;EXA:1
@@ -224,7 +224,7 @@
%------------------------------------------------------------------------------
CAT:sugar;EN:Glucose 2;MW:180.16;EXA:1
:
-<-30,OH,!2,*/OH,!,/*OH,!,/*OH,!,/*OH,!,?O!,H
+<-30,OH,!2,*/OH,!,/*OH,!,/*OH,!,/*OH,!?O!,H
;
%------------------------------------------------------------------------------
CAT:sugar;EN:D-Glucose;MW:180.16;EXA:1
@@ -383,7 +383,7 @@
<30,?6,3:/?!,6:?,3'5=db
;
%------------------------------------------------------------------------------
-CAT:biological;EN:beta-Terpinene;MW:136.24;EXA:-
+CAT:biological;EN:beta-Terpinene;MW:136.24;EXA:1
:
<30,?6,3:/?!,6:?d,3=db
;
@@ -393,7 +393,7 @@
<30,?6,3:/?!,6:?,3'6=db
;
%------------------------------------------------------------------------------
-CAT:biological;EN:delta-Terpinene;MW:136.24;EXA:-
+CAT:biological;EN:delta-Terpinene;MW:136.24;EXA:1
:
<30,?6,3://?!,6:?,5=db
;
@@ -423,7 +423,7 @@
<18,?5,2:O,1:?O,3^-12:/!4
;
%------------------------------------------------------------------------------
-CAT:biological;EN:gamma-Undecalactone;MW:184.27;EXA:-
+CAT:biological;EN:gamma-Undecalactone;MW:184.27;EXA:1
:
<18,?5,2:O,1:?O,3^-12:/!6
;
@@ -438,7 +438,7 @@
<30,?6,3:??,5:?,5=db, at 2,180~zf`1,&4~zb
;
%------------------------------------------------------------------------------
-CAT:biological;EN:beta-Pinene;MW:136.24;EXA:-
+CAT:biological;EN:beta-Pinene;MW:136.24;EXA:1
:
<30,?6,3:??,5:?d, at 2,180~zf`1,&4~zb
;
@@ -460,7 +460,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Benzyl-acetate;MW:150.18;EXA:1
:
-<30,Ph, at 4,!,?O!,O!,!,Ph
+<30,Ph, at 4,!?O!,O!,!,Ph
;
%------------------------------------------------------------------------------
CAT:biological;EN:Benzyl-benzoate;MW:212.25;EXA:1
@@ -494,7 +494,7 @@
-3^-12:/!2'OH,8:p_^72
;
%------------------------------------------------------------------------------
-CAT:biological;EN:Riboflavin;MW:376.37;EXA:2
+CAT:biological;EN:Riboflavin;MW:376.37;EXA: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
@@ -525,10 +525,10 @@
<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;EXA:2
+CAT:biological;EN:Folic acid;MW:441.3975;EXA:1
:
<30,?6,3=Ph2,1=dl,2'7'10:N,6:NH,5:?O,1:/NH2,
- @9,!,!NH!,Ph, at -3,!,?O,!NH!,/*COOH,!3,COOH
+ @9,!,!NH!,Ph, at -3,!?O,!NH!,/*COOH,!3,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Carotene;MW:536.8726;EXA:1
@@ -556,13 +556,13 @@
<30,Ph,1:/OH,6:/O!, at 4,!,!NH!,?O,!7,?!,-3=dl
;
%------------------------------------------------------------------------------
-CAT:biological;EN:Gibberellin A3;MW:346.379;EXA:2
+CAT:biological;EN:Gibberellin A3;MW:346.379;EXA:1
:
<18,?5,3=?7,5=#1.2'?6, at 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;EXA:2
+CAT:biological;EN:Cholesterol;MW:386.664;EXA: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, at -1,17,?z,!4,?!
@@ -570,12 +570,12 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Resveratrol;MW:228.24;EXA:1
:
-<30,Ph, at 4,!,!d,!Ph,2'6'-3:/OH
+<30,Ph, at 4,!!d!,Ph,2'6'-3:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Glutathione;MW:307.33;EXA:1
:
-<-30,COOH,!,/*NH2,!3,?O,!NH!,*/!SH,!,?O!,NH,!2,COOH
+<-30,COOH,!,/*NH2,!3,?O,!NH!,*/!SH,!?O!,NH,!2,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Trenbolone;MW:270.37;EXA:1
@@ -611,7 +611,7 @@
<30,Ph,3=?5, at -2,!d,?5,-3=Ph2,7'14:NH,9'11:?O,1'-2:/Br
;
%------------------------------------------------------------------------------
-CAT:biological;EN:Carminic Acid;MW:492.39;EXA:2
+CAT:biological;EN:Carminic Acid;MW:492.39;EXA: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
@@ -629,12 +629,12 @@
%==============================================================================
CAT:biological;EN:Apigenin;MW:270.24;EXA:1
:
-<30,Ph,2'6:/OH,3=?6,9=dl,10:O,7:?O, at 9,!,Ph,-3:/OH
+<30,Ph,2'6:/OH,3=?6,9=dl,10:O,7:?O, at 9,!Ph,-3:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Luteolin;MW:286.24;EXA:1
:
-<30,Ph,2'6:/OH,3=?6,9=dl,10:O,7:?O, at 9,!,Ph,-2'-3:/OH
+<30,Ph,2'6:/OH,3=?6,9=dl,10:O,7:?O, at 9,!Ph,-2'-3:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Flavone;MW:222.24;EXA:1
@@ -664,13 +664,13 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Quercetin;MW:302.24;EXA:1
:
-<30,Ph,3=?6, at 9,!,Ph,9=dl,10:O,7:?O,2'6'8'13'14:/OH
+<30,Ph,3=?6, at 9,!Ph,9=dl,10:O,7:?O,2'6'8'13'14:/OH
;
%==============================================================================
-CAT:biological;EN:Limonin;MW:470.518;EXA:2
+CAT:biological;EN:Limonin;MW:470.518;EXA: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,{4^60'*8^60}:?w,18:??,{1^60'5^180'16^60}:/*H,
+ 3'12'21:?O,4'*8:?w^60,18:??,{1^60'5^180'16^60}:/*H,
@14,!z,|,?5,1'4=dl,3:O
;
%------------------------------------------------------------------------------
@@ -682,7 +682,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Emetine;MW:480.649;EXA:1
:
-<30,Ph,-4'-4=?6,8:N,1'6:/O!,-2:/*!,{7^-60'12^-60}:/*H,
+<30,Ph,-4'-4=?6,8:N,1'6:/O!,-2:/*!,7'12:/*H^-60,
@-3,!,!zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,2'4=dl,-2'-3:/O!
;
%------------------------------------------------------------------------------
@@ -693,7 +693,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Piperine;MW:285.343;EXA:1
:
-<30,Ph,-1=?5,-1'-3:O, at 4,!,!d,!,!d,!,?O!,?6,-6:N
+<30,Ph,-1=?5,-1'-3:O, at 4,!!d,!,!d,!?O!,?6,-6:N
;
%------------------------------------------------------------------------------
CAT:biological;EN:Febrifugine;MW:301.34;EXA:1
@@ -701,7 +701,7 @@
<30,Ph,3=?6,8=dl, at 9,!3,!zb,?6,7'9:N,-5:NH,10'12:?O,-1:*/OH
;
%------------------------------------------------------------------------------
-CAT:biological;EN:Hypericin;MW:504.44;EXA:2
+CAT:biological;EN:Hypericin;MW:504.44;EXA: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
@@ -723,7 +723,7 @@
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;EXA:2
+CAT:biological;EN:Podophyllotoxin;MW:414.41;EXA:1
:
<0,?5,2'5:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3:?O,
@10,!z,Ph,-2'-3'-4:/O!,13:/*OH,{11^-60'*12^60}:*/H
@@ -744,7 +744,7 @@
<30,Ph,3=?6,9=dl,10:O,1'2'6:/OH,7:?O,8:/Ph
;
%------------------------------------------------------------------------------
-CAT:biological;EN:Reserpine;MW:608.688;EXA:2
+CAT:biological;EN:Reserpine;MW:608.688;EXA: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
@@ -771,7 +771,7 @@
:
?6,5=dl, at 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,
+ @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!
;
%------------------------------------------------------------------------------
@@ -793,7 +793,7 @@
@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;EXA:2
+CAT:biological;EN:Quinine;MW:324.424;EXA:1
:
<30,Ph,3=Ph,7:N,6:/O!,
@10,!,*/OH,/*H^-60,!,|,?6,2:N,1^60:*/H,4:*/!d, at 2,165~zf,60,&5~zb
@@ -804,12 +804,12 @@
<30,O!,?O!2,Ph, at 1,-60~zb,?7`1.1, at -2,190~wf`1.25,N?,&-5~wb,$3:/!OH~wv
;
%------------------------------------------------------------------------------
-CAT:biological;EN:Colchicine;MW:399.443;EXA:2
+CAT:biological;EN:Colchicine;MW:399.443;EXA: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;EXA:2
+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,{*9^180'10^60}:*/H,13'*14:*/OH
;
@@ -819,9 +819,9 @@
<18,?5,4=dl,3:O,2:NH,1:?O,4^-24:/?NH2'!COOH
;
%------------------------------------------------------------------------------
-CAT:biological;EN:Illudin S;MW:264.3;EXA:2
+CAT:biological;EN:Illudin S;MW:264.3;EXA:1
:
-<30,?6,3=?5, at 6,?3,4'7=dl,2:?O,5:?,{1^35'8^35}:?w,{*1^-35'9}:*/OH,8^-35:/*!OH
+<30,?6,3=?5, at 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;EXA:1
@@ -831,13 +831,13 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Psilocybin;MW:284.248;EXA:1
:
-<30,Ph,3=?5,8=dl,9:NH, at 2,!,O,-60,P,?O^-45,/OH^45,90,OH,7:/!2'N?!>lr
+<30,Ph,3=?5,8=dl,9:NH, at 2,!O,-60,P,?O^-45,/OH^45,90,OH,7:/!2'N?!>lr
;
%------------------------------------------------------------------------------
CAT:marine toxine;EN:Tetrodotoxine;MW:319.27;EXA:2
:
#1,<60,-90,60,-30`1.15,150,60,&1, at 3,-135,60,-30`1.15,150,&4,
- @10,!,O,60`1.33,60,&$3~si_, at 8,-15~si_,O,&12,##,
+ @10,!O,60`1.33,60,&$3~si_, at 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
;
%------------------------------------------------------------------------------
@@ -846,22 +846,22 @@
<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;EXA:-
+CAT:mycotoxin;EN:Aflatoxin B2;MW:314.3;EXA: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;EXA:2
+CAT:mycotoxin;EN:Aflatoxin G1;MW:328.27;EXA: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;EXA:-
+CAT:mycotoxin;EN:Aflatoxin G2;MW:330.29;EXA: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;EXA:-
+CAT:mycotoxin;EN:Aflatoxin M1;MW:328.3;EXA: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
;
@@ -913,14 +913,14 @@
<30,Ph,3=?6, at 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:338.40;EXA:-
+CAT:biological;EN:Dihydroxybergamotin;MW:338.40;EXA:1
:
-<30,Ph,3=?6,6=?5,10'13=db,7'13:O,8:?O, at 5,!,O,!2,!d,?,!3,/OH,!,??,!OH
+<30,Ph,3=?6,6=?5,10'13=db,7'13:O,8:?O, at 5,!O,!2,!d,?,!3,/OH,!??,!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Bergamotin;MW:338.40;EXA:1
:
-<30,Ph,3=?6,6=?5,10'13=db,7'13:O,8:?O, at 5,!,O,!2,!d,?,!3,!d,?!
+<30,Ph,3=?6,6=?5,10'13=db,7'13:O,8:?O, at 5,!O,!2,!d,?,!3,!d,?!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Alkannin;MW:288.29;EXA:1
@@ -988,7 +988,7 @@
<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;EXA:2
+CAT:aromatic;EN:Kekulene;MW:600.7;EXA: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
@@ -1034,33 +1034,33 @@
%==============================================================================
CAT:pigment;EN:Tartrazine;MW:534.3;EXA:1
:
-<30,Ph,1:/SO3Na, at 4,!,N,!d,N,!,<-12,?5,-2'-5=dl,-2'-3:N,-1:/COONa,-4:/OH,
+<30,Ph,1:/SO3Na, at 4,!N,!d,N!,<-12,?5,-2'-5=dl,-2'-3:N,-1:/COONa,-4:/OH,
-3:/Ph'(4:/SO3Na)
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse yellow 3;MW:269.30;EXA:1
:
-<30,Ph,2:?,5:/OH, at 4,!,N,!d,N,!Ph,-3:/NH!'?O!
+<30,Ph,2:?,5:/OH, at 4,!N,!d,N,!Ph,-3:/NH!'?O!
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse orenge 30;MW:450.27;EXA:1
:
-<30,Ph,1:/NO2,3'5:/Cl, at 4,!,N,!d,N,!Ph, at -3,!,N,/!2'CN,!3,?O,!O!
+<30,Ph,1:/NO2,3'5:/Cl, at 4,!N,!d,N,!Ph, at -3,!N,/!2'CN,!3,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Disperse red 65;MW:371.82;EXA:1
:
-<30,Ph,1:/NO2,3:/Cl, at 4,!,N,!d,N,!Ph,-1:?, at -3,!,N,/!2'CN,!2
+<30,Ph,1:/NO2,3:/Cl, at 4,!N,!d,N,!Ph,-1:?, at -3,!N,/!2'CN,!2
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Erythrosine;MW:835.9;EXA:1
:
-<30,Ph,3'9=?6,8'13'16=dl,10:O,-2:?O,1'5'12'14:/I, at 7,!,Ph,-1:/COOH,6:/OH
+<30,Ph,3'9=?6,8'13'16=dl,10:O,-2:?O,1'5'12'14:/I, at 7,!Ph,-1:/COOH,6:/OH
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Sudan red 1;MW:248.28;EXA:1
:
-<30,Ph,1=Ph,4:/OH, at 3,!,N,!d,N,!Ph
+<30,Ph,1=Ph,4:/OH, at 3,!N,!d,N,!Ph
;
%------------------------------------------------------------------------------
CAT:pigment;EN:Basic blue 1;MW:319.86;EXA:1
@@ -1142,78 +1142,76 @@
%==============================================================================
CAT:antibiotics;EN:Amoxicillin;MW:365.4042;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
+<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;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
- @4,15~wf,NH!,?O!,/*NH2,!Ph
+<45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??, at 4,15~wf,NH!,?O!,/*NH2,!Ph
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Penicillin G;MW:334.4;EXA:2
+CAT:antibiotics;EN:Penicillin G;MW:334.4;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??, at 4,15~wf,NH!,?O!2,Ph
+<45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??, at 4,15~wf,NH!,?O!2,Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Penicillin V;MW:350.3895;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??, at 4,15~wf,NH!,?O!2,O,!Ph
+<45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??, at 4,15~wf,NH!,?O!2,O,!Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Mecillinam;MW:325.4264;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
- @4,15~wf,N,!d,!,?7,-7:N
+<45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??, at 4,15~wf,N,!d,!,?7,-7:N
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Nafcillin;MW:414.4748;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
- @4,15~wf,NH!,?O,!Ph,-2=Ph,-9:/O!2
+<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;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
+<45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,
@4,15~wf,NH!,?O!,<-24,?5,-2'-5=dl,-2:N,-3:O,-4:?, at -1,-24,Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cloxacillin;MW:435.8813;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
+<45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,
@4,15~wf,NH!,?O!,<-24,?5,-2'-5=dl,-2:N,-3:O,-4:?, at -1,-24,Ph,-5:/Cl
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Dicloxacillin;MW:470.3264;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
+<45,?4,2=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH,6:??,
@4,15~wf,NH!,?O!,<-24,?5,-2'-5=dl,-2:N,-3:O,-4:?,-1^-24:/Ph'(2'6:/Cl)
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefalexin;MW:347.3889;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,6:?,
+<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;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15, at 5,!z,?O!,O,n_^40,
+<45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1:?O^15, at 5,!z,?O!,O,n_^40,
@4,15~wf,NH!,?O!2,?5,-1'-3=dl,-4:S, at 6,!2,|,Ph,1:N,1:p_^180,4:/?O!'NH2
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Cefazorin;MW:454.51;EXA:2
+CAT:antibiotics;EN:Cefazorin;MW:454.51;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1^15:?O,5:/*COOH,
+<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'-2'-3'-5:N,
@6,!2,S,!,?5,-3'-5=dl,-1:S,-2:?,-3'-4:N
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Cefoperazone;MW:645.67;EXA:1
+CAT:antibiotics;EN:Cefoperazone;MW:645.67;EXA:2
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
+<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,-3'-6:N,-4'-5:?O,-3:/!,
@6,!2,S,!,?5,-3'-5=dl,-1:?,-1'-2'-3'-4:N,
;
@@ -1220,7 +1218,7 @@
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefquinome;MW:528.6;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15, at 5,!z,?O!,O,n_^40,
+<45,?4,2=?6,6=db,2:N,8:S,3^45:/*H,1:?O^15, at 5,!z,?O!,O,n_^40,
@4,15~wf,NH!,?O!,//N!'O!,!,?5,-2'-5=dl,-3:S,-1:N,-2:/NH2,
@6,!2,Ph,-2=?6,-10:N,-10:p_^180
;
@@ -1227,14 +1225,14 @@
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Ceftiofur;MW:523.5626;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
+<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,-2'-5=dl,-3:S,-1:N,-2:/NH2,
- @6,!2,S,!,?O!,?5,-1'-3=dl,-4:O
+ @6,!2,S,!?O!,?5,-1'-3=dl,-4:O
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefuroxime;MW:424.3852;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
+<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'-3=dl,-4:O, at 6,!2,O!,?O!,NH2
;
%------------------------------------------------------------------------------
@@ -1252,16 +1250,16 @@
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Kanamycin;MW:484.499;EXA:1
:
-<-30,?6, at 1,!z,O,0~zb,?6,-5:O, at 5,!,O,0,?6,-5:O,
+<-30,?6, at 1,!z,O,0~zb,?6,-5:O, at 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;EXA:1
+CAT:antibiotics;EN:Neomycin;MW:614.644;EXA:2
:
<30,?6,3:O,2:/*!NH2,1'*6:*/OH,5:*/NH2,
@4,!w,O,!wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
@-1,!z,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
- @-2,!z^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2'*-3:*/OH,-4:/*!NH2>60
+ @-2,-24~zf,O,-60~zb,?6,-5:O,-1:/*NH2,-2'*-3:*/OH,-4:/*!NH2>60
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Streptmycin;MW:581.574;EXA:2
@@ -1291,11 +1289,11 @@
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tobramycin;MW:467.51;EXA:1
:
-<-30,?6, at 1,!z,O,0~zb,?6,-5:O, at 5,!,O,0,?6,-5:O,
+<-30,?6, at 1,!z,O,0~zb,?6,-5:O, at 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;EXA:1
+CAT:antibiotics;EN:Spiramycin;MW:843.1;EXA:2
:
<-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,
@@ -1304,7 +1302,7 @@
@-3,!z`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35'-3}:*/OH,{-2^-35'-4}:?z,##,
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Neospiramycin;MW:698.9;EXA:1
+CAT:antibiotics;EN:Neospiramycin;MW:698.9;EXA:2
:
<-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,
@@ -1312,22 +1310,22 @@
@7,!z,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-4:?w,-1'-3:/*OH,##,
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Josamycin;MW:827.995;EXA:1
+CAT:antibiotics;EN:Josamycin;MW:827.995;EXA:2
:
<-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,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:?w,##,
@-3,!z`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35'-4}:?z,##,
- @-3,!w,O,60,?O,60,-60,?,!,
+ @-3,!w,O,60,?O,60,-60,?,!
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Leucomycin A5;MW:771.942;EXA:1
+CAT:antibiotics;EN:Leucomycin A5;MW:771.942;EXA:2
:
<-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,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:?w,##,
@-3,!z`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35'-4}:?z,##,
- @-3,!w,O,60,?O,60,-60,60,
+ @-3,!w,O,60,?O,60,-60,60
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Erythromycin;MW:733.93;EXA:2
@@ -1339,14 +1337,14 @@
@$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;EXA:1
+CAT:antibiotics;EN:Emamectine;MW:886.133;EXA:2
:
<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, at -2,?6,-6=wf,-1=zb,-5=dl,
-1'-6:O,-3:?w, at -2,!,?w,!2,
- 17:?,19:?z, at 18,!,O!,?6`.7,-1:O,#.5,-2:?w,-4:*/O!,##,
- @-3,!,O,60,?6`.7,-5:O,#.5,-4:?w,-3:/*NH!,-2:*/O!
+ 17:?,19:?z, at 18,!O!,?6`.7,-1:O,#.5,-2:?w,-4:*/O!,##,
+ @-3,!O,60,?6`.7,-5:O,#.5,-4:?w,-3:/*NH!,-2:*/O!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Spinosad;MW:731.968;EXA:2
@@ -1354,7 +1352,7 @@
<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,-1:O,#.5,-2:?w,{*-3'-4'-5}:*/O!,8:?w,5^-65:*/H,##,
+ @-2,!z,O,66~zb,?6`.7,-1:O,#.5,-2:?w,*-3'-4'-5:*/O!,8:?w,5^-65:*/H,##,
@9,!z,O,!zb,|,?6`.7,6:O,#.5,5:?z,4:*/N?!
;
%------------------------------------------------------------------------------
@@ -1367,13 +1365,13 @@
@10,15~wf,O,90,?6`.7,-1:O,#.5,-3'*-5:*/OH,-4:/*NH2,-2:?z
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Tylocin;MW:916.10;EXA:1
+CAT:antibiotics;EN:Tylocin;MW:916.10;EXA:2
:
<-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,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:?w,##,
- @-3,!z`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35'-3}:*/OH,{-2^-35'-4}:?z,##,
+ @-3,!z`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35'-3}:*/OH,{-2^-35'-4}:?z,##
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tilmicosin;MW:869.133;EXA:2
@@ -1385,12 +1383,12 @@
@8,!z,!2,?6`.7,-6:N,#.5,-2'-4:?w
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Mirosamicin;MW:727.8791;EXA:1
+CAT:antibiotics;EN:Mirosamicin;MW:727.8791;EXA:2
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
@8,!z,O,0,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:?w,##,
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,-5:O,#.5,-3:/*OH,-4:?w,-1'-2:/O!
+ @1,!w,!O,!wb,?6`.7,-5:O,#.5,-3:/*OH,-4:?w,-1'-2:/O!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Chlortetracyclin;MW:478.88;EXA:1
@@ -1399,7 +1397,7 @@
{5'7~zf^35'13~wf^60'14'16}:/OH,15:*/N?!,17:/?O!'NH2
;
%------------------------------------------------------------------------------
-CAT:antibiotics;EN:Oxytetracyclin;MW:460.434;EXA:2
+CAT:antibiotics;EN:Oxytetracyclin;MW:460.434;EXA: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
@@ -1430,7 +1428,7 @@
#1, at -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!, at -6,-30,O!,?O!,@$11,!,!d,N,!,|,?6,1:N,4:N?
+ -4:/*O!, at -6,-30,O!,?O!,@$11,!!d,N!,|,?6,1:N,4:N?
;
%==============================================================================
CAT:pesticide;EN:BHC;MW:290.83;EXA:1
@@ -1443,7 +1441,7 @@
<30,Ph,6:/Cl, at 3,!,/?Cl?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
-CAT:pesticide;EN:op-DDT;MW:354.49;EXA:-
+CAT:pesticide;EN:op-DDT;MW:354.49;EXA:1
:
<30,Ph,4:/Cl, at 3,!,/?Cl?Cl!Cl,!Ph,-3:/Cl
;
@@ -1460,13 +1458,13 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:XMC;MW:179.2;EXA:1
:
-<30,Ph,1'5:?, at 3,!,O!,?O!,NH!
+<30,Ph,1'5:?, at 3,!O!,?O!,NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Acrinathrin;MW:541.45;EXA:1
:
<-30,?3,{2^-35,*2^35}:?w,
- @1,!,!d,!,?O,!O!,/?F?F!F,!,?F?F!F, at 3,!,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
+ @1,!!d,!?O,!O!,/?F?F!F,!,?F?F!F, at 3,!?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azaconazole;MW:300.139;EXA:1
@@ -1476,7 +1474,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Acetochlor;MW:269.769;EXA:1
:
-<30,Ph,2:?,4:/!, at 3,!,N,/?O!2'Cl,!2,O!2
+<30,Ph,2:?,4:/!, at 3,!N,/?O!2'Cl,!2,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Atrazine;MW:215.7;EXA:1
@@ -1506,7 +1504,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Uninnazole-P;MW:291.779;EXA:1
:
-<30,Ph,6:/Cl, at 3,!,!d,!,/OH,!,??!, at 8,!,|,?5,2'4=dl,1'2'4:N
+<30,Ph,6:/Cl, at 3,!!d,!,/OH,!,??!, at 8,!,|,?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Esprocarb;MW:265.4;EXA:1
@@ -1521,7 +1519,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethofenprox;MW:376.5;EXA:1
:
-<30,Ph, at 5,!,O,!Ph, at 10,!,O!3,??,!Ph,-3:/O!2
+<30,Ph, at 5,!O!,Ph, at 10,!,O!3,??,!Ph,-3:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Endrin;MW:380.91;EXA:1
@@ -1537,12 +1535,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxadixyl;MW:278.3;EXA:1
:
-<30,Ph,2'4:?, at 3,!,N,!1,?O!2,O!, at 7,!,|,?5,1:N,2:O,5:?O
+<30,Ph,2'4:?, at 3,!N,!1,?O!2,O!, at 7,!,|,?5,1:N,2:O,5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxyfluorfen;MW:361.701;EXA:1
:
-<30,Ph,6:/?F?F!F,4:/Cl, at 3,!,O,!Ph,-3:/NO2,-4:/O!2
+<30,Ph,6:/?F?F!F,4:/Cl, at 3,!O!,Ph,-3:/NO2,-4:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cafenstrole;MW:350.4;EXA:1
@@ -1552,18 +1550,18 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carfentrazone-ethyl;MW:412.19;EXA:1
:
-<30,Ph,4:/F,6:/Cl, at 1,!2,/Cl,!,?O!,O!2,
+<30,Ph,4:/F,6:/Cl, at 1,!2,/Cl,!?O!,O!2,
@3,!,|,?5,4=dl,1'3'5:N,-4:?O,-3:/?F!F,-2:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carboxin;MW:235.301;EXA:1
:
-<30,?6,3=dl,2:S,5:O,4:?, at 3,!,?O,!NH!,Ph
+<30,?6,3=dl,2:S,5:O,4:?, at 3,!?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quinoxyfen;MW:308.13;EXA:1
:
-<30,Ph,4=Ph,10:N,2'6:/Cl, at 7,!,O,!Ph,-3:/F
+<30,Ph,4=Ph,10:N,2'6:/Cl, at 7,!O!,Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quitozene;MW:295.3;EXA:1
@@ -1588,12 +1586,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorfenson;MW:303.153;EXA:1
:
-<30,Ph, at 3,!,O!,S?O?O,!Ph,6'12:/Cl
+<30,Ph, at 3,!O!,S?O?O,!Ph,6'12:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorpropham;MW:213.7;EXA:1
:
-<30,Ph,6:/Cl, at 4,!,NH!,?O!,O,!?!
+<30,Ph,6:/Cl, at 4,!NH!,?O!,O,!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorbenside;MW:269.183;EXA:1
@@ -1608,7 +1606,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorantraniliprole;MW:483.15;EXA:1
:
-<30,Ph,1:/Cl,3:?, at 5,!,?O,60,NH!, at 4,!,NH!,?O!,<24,?5,-1'-3=db,-3'-4:N,-2:/Br,
+<30,Ph,1:/Cl,3:?, at 5,!?O,60,NH!, at 4,!NH!,?O!,<24,?5,-1'-3=db,-3'-4:N,-2:/Br,
@-4,24,Ph,-5:N,-1:/Cl
;
%------------------------------------------------------------------------------
@@ -1624,7 +1622,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlornitrofen;MW:318.5;EXA:1
:
-<30,Ph,6:/NO2, at 3,!,O,!,Ph,-1'-3'-5:/Cl
+<30,Ph,6:/NO2, at 3,!O!,Ph,-1'-3'-5:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fthalide;MW:271.9;EXA:1
@@ -1634,7 +1632,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azoxystrobin;MW:403.4;EXA:1
:
-<30,Ph,2:/CN, at 3,!,O,!Ph,-1'-3:N, at -4,!,O,!Ph, at -5,!,/?O!'O!,!d,!O!
+<30,Ph,2:/CN, at 3,!O!,Ph,-1'-3:N, at -4,!O!,Ph, at -5,!,/?O!'O!,!d,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiuram;MW:240.43;EXA:1
@@ -1649,7 +1647,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Penflufen;MW:317.41;EXA:1
:
-<30,Ph, at 3,!,NH!,?O!,?5,-1'-4=db,-2'-3:N,-2'-4:?,-1:/F, at 4,!,?,60,!?!
+<30,Ph, at 3,!NH!,?O!,?5,-1'-4=db,-2'-3:N,-2'-4:?,-1:/F, at 4,!?,60,!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:MCPA;MW:200.62;EXA:1
@@ -1696,22 +1694,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diethofencarb;MW:267.3;EXA:1
:
-<30,Ph, at 4,!,NH!,?O!,O,!?!,1'6:/O!2
+<30,Ph, at 4,!NH!,?O!,O,!?!,1'6:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diclofop-methyl;MW:341.2;EXA:1
:
-<30,Ph,4'6:/Cl, at 3,!,O,!Ph, at -4,!,O,!?!,?O,!O!
+<30,Ph,4'6:/Cl, at 3,!O!,Ph, at -4,!O,!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalothrin;MW:449.86;EXA:1
:
-<-30,?3,{2^-35'*2^35}:?w, at 1,!,!d,/?F?F!F,!Cl, at 3,!,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
+<-30,?3,{2^-35'*2^35}:?w, at 1,!!d,/?F?F!F,!Cl, at 3,!?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;EXA:1
:
-<30,Ph,1:/CN,4:/F, at 3,!,O,!Ph, at -3,!,O,!?!,?O!,O,!4
+<30,Ph,1:/CN,4:/F, at 3,!O!,Ph, at -3,!O,!?!,?O!,O,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diphenamid;MW:239.3;EXA:1
@@ -1722,12 +1720,12 @@
CAT:pesticide;EN:Cyfluthrin;MW:434.3;EXA:1
:
<-30,?3,{2^-35'*2^35}:?w,
- @1,!,!d,/Cl,!Cl, at 3,!,?O,!O!,/CN,!Ph,-3:/F,-4:/O!'Ph>rl
+ @1,!!d,/Cl,!Cl, at 3,!?O,!O!,/CN,!Ph,-3:/F,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diflufenican;MW:394.29;EXA:1
:
-<30,Ph,1'5:/F, at 4,!,NH!,?O,!Ph,6:N,-5:/O!'Ph'(-3:/?F?F!F)
+<30,Ph,1'5:/F, at 4,!NH!,?O,!Ph,6:N,-5:/O!'Ph'(-3:/?F?F!F)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyproconazole;MW:291.8;EXA:1
@@ -1737,7 +1735,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cypermethrin;MW:416.3;EXA:1
:
-<-30,?3,{2^-35'*2^35}:?w, at 1,!,!d,/Cl,!Cl, at 3,!,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
+<-30,?3,{2^-35'*2^35}:?w, at 1,!!d,/Cl,!Cl, at 3,!?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Simazine;MW:201.7;EXA:1
@@ -1752,7 +1750,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethenamid;MW:275.8;EXA:1
:
-<-6,?5,3'5=dl,2:S,3'5:?, at 4,!,N,!,?O!2,Cl,6:/?!2'O!
+<-6,?5,3'5=dl,2:S,3'5:?, at 4,!,N!,?O!2,Cl,6:/?!2'O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Simetryn;MW:213.3;EXA:1
@@ -1762,7 +1760,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimepiperate;MW:263.4;EXA:1
:
-<30,Ph, at 3,!,??,!S!,?O!,?6,-6:N
+<30,Ph, at 3,!??,!S!,?O!,?6,-6:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diazinon;MW:304.35;EXA:1
@@ -1783,7 +1781,7 @@
CAT:pesticide;EN:Thifluzamide;MW:528.08;EXA:1
:
<-12,?5,3'5=dl,2:S,5:N,3:/?F?F!F,1:?,
- @4,!,?O,!NH!,<6,Ph,-5'-1:/Br,-3:/O!'?F?F!F
+ @4,!?O,!NH!,<6,Ph,-5'-1:/Br,-3:/O!'?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dieldrin;MW:380.895;EXA:1
@@ -1830,12 +1828,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebufenpyrad;MW:333.86;EXA:1
:
-<6,?5,3'5=dl,1'2:N,4:/Cl,5:/!,2:?, at 3,!,?O!,NH,!2,Ph,-3:/??!
+<6,?5,3'5=dl,1'2:N,4:/Cl,5:/!,2:?, at 3,!?O!,NH,!2,Ph,-3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tefluthrin;MW:418.736;EXA:1
:
-<-30,?3,{2^-35'*2^35}:?w, at 1,!,!d,/?F?F!F,!Cl, at 3,!,?O!,O!2,|,Ph,2'3'5'6:/F,4:?
+<-30,?3,{2^-35'*2^35}:?w, at 1,!!d,/?F?F!F,!Cl, at 3,!?O!,O!2,|,Ph,2'3'5'6:/F,4:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Terbutryn;MW:241.4;EXA:1
@@ -1860,7 +1858,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triallate;MW:304.7;EXA:1
:
-<-30,!?!,N,/?!,!,?O!,S!2,/Cl,!d,/Cl,!Cl
+<-30,!?!,N,/?!,!?O!,S!2,/Cl,!d,/Cl,!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethylvinphos;MW:331.52;EXA:1
@@ -1870,12 +1868,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Trifluralin;MW:335.3;EXA:1
:
-<30,Ph,1'3:/NO2,5:/?F?F!F, at 2,!,N,/!2,!3
+<30,Ph,1'3:/NO2,5:/?F?F!F, at 2,!N,/!2,!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Napropamide;MW:271.4;EXA:1
:
-<-30,Ph,4=Ph, at 10,!,O!,?!,?O!,N?2,!2
+<-30,Ph,4=Ph, at 10,!O!,?!,?O!,N?2,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Nitrothal-isopropyl;MW:295.3;EXA:1
@@ -1895,28 +1893,28 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Picolinafen;MW:376.331;EXA:1
:
-<30,Ph,5:/?F?F!F, at 3,!,O,!Ph,-5:N, at -4,!,?O,!NH!,Ph,-3:/F
+<30,Ph,5:/?F?F!F, at 3,!O!,Ph,-5:N, at -4,!?O,!NH!,Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bitertanol;MW:337.4;EXA:1
:
-<30,Ph, at 3,!,Ph, at -3,!,O!2,/OH,!,??!, at 14,!,|,?5,2'4=dl,1'2'4:N
+<30,Ph, at 3,!Ph, at -3,!,O!2,/OH,!,??!, at 14,!,|,?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bifenox;MW:342.14;EXA:1
:
-<30,Ph,4'6:/Cl, at 3,!,O,!Ph,-4:/?O!'O!,-3:/NO2
+<30,Ph,4'6:/Cl, at 3,!O!,Ph,-4:/?O!'O!,-3:/NO2
;
%------------------------------------------------------------------------------
-CAT:pesticide;EN:Bifenthrin;MW:422.88;EXA:2
+CAT:pesticide;EN:Bifenthrin;MW:422.88;EXA:1
:
-<-30,?3,{2^-35'*2^35}:?w, at 1,!,!d,/Cl,!,?F?F!F, at 3,!,?O,!O!,-60,Ph,-1:?,-2:/Ph
+<-30,?3,{2^-35'*2^35}:?w, at 1,!!d,/Cl,!,?F?F!F, at 3,!?O,!O!,-60,Ph,-1:?,-2:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraflufen-ethyl;MW:413.174;EXA:1
:
<30,Ph,6:/Cl,4:/F, at 3,!,|,?5,1'4=dl,2'3:N,-3:?,5:/Cl,
- @-2,!,O!,/F,!F,@$1,!,O!2,?O!,O!2
+ @-2,!O!,/F,!F,@$1,!,O!2,?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyridaben;MW:364.9;EXA:1
@@ -1931,22 +1929,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyributicarb;MW:330.4;EXA:1
:
-<30,Ph,5:/??!, at 3,!,?O!,S!,N?!,Ph,-5:N,-4:/O!
+<30,Ph,5:/??!, at 3,!?O!,S!,N?!,Ph,-5:N,-4:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyriproxyfen;MW:321.5;EXA:1
:
-<30,Ph, at 5,!,O,!Ph, at -3,!,O!2,?!,O,-60,Ph,-5:N
+<30,Ph, at 5,!O!,Ph, at -3,!,O!2,?!,O,-60,Ph,-5:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:1
:
-<30,Ph,2:/O!'?O!, at 5,!,?,!d,N,!O!, at 3,!,O!,|,Ph,2'6:N,3'5:/O!
+<30,Ph,2:/O!'?O!, at 5,!?,!d,N,!O!, at 3,!O!,|,Ph,2'6:N,3'5:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyrimethanil;MW:199.257;EXA:1
:
-<30,Ph, at 3,!,NH!,|,Ph,2'6:N,3'5:?
+<30,Ph, at 3,!NH!,|,Ph,2'6:N,3'5:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyroquilon;MW:173.2;EXA:1
@@ -1959,7 +1957,7 @@
<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;EXA:2
+CAT:pesticide;EN:Fipronil;MW:437.2;EXA:1
:
<30,Ph,2'4:/Cl,6:/?F?F!F, at 3,!,|,?5,2'4=dl,1'2:N,3:/CN,5:/NH2,-2:/S?O'!'?F?F!F
;
@@ -1966,7 +1964,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenomiphos;MW:303.36;EXA:1
:
-<30,!2,O!,P,?O,/NH'!?!^160,!,O,!Ph,-4:?,-3:/S!
+<30,!2,O!,P,?O,/NH'!?!^160,!O!,Ph,-4:?,-3:/S!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenarimol;MW:331.2;EXA:1
@@ -1976,27 +1974,27 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenothiocarb;MW:253.4;EXA:1
:
-<30,Ph, at 3,!,O,!5,S,!,?O!,N?!
+<30,Ph, at 3,!O,!5,S,!?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fensulfothion;MW:308.35;EXA:1
:
-<30,!2,O!,P,?S,/O!2^160>rl,!,O,!Ph,-3:/S'?O!
+<30,!2,O!,P,?S,/O!2^160>rl,!O!,Ph,-3:/S'?O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenitrothion;MW:277.23;EXA:1
:
-<-30,!O!,P,?S,/O!^160,!,O,!Ph,-4:?,-3:/NO2
+<-30,!O!,P,?S,/O!^160,!O!,Ph,-4:?,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Parathion-methyl;MW:263.2;EXA:1
:
-<-30,!O!,P,?S,/O!^160,!,O,!Ph,-3:/NO2
+<-30,!O!,P,?S,/O!^160,!O!,Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Parathion;MW:291.3;EXA:1
:
-<30,!2,O!,P,?S,/O!2^160>rl,!O,!Ph,-3:/NO2
+<30,!2,O!,P,?S,/O!2^160>rl,!O!,Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenthion;MW:278.33;EXA:1
@@ -2011,7 +2009,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phenthoate;MW:320.358;EXA:1
:
-<-30,!O!,P,?S,/O!^160,!,S,!,/Ph,!,?O!,O!2
+<-30,!O!,P,?S,/O!^160,!,S,!,/Ph,!?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Prothyophos;MW:329.18;EXA:1
@@ -2026,7 +2024,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Profenofos;MW:373.6;EXA:1
:
-<30,!2,O!,P,?S,/O!3^160>rl,!O,!Ph,-5:/Cl,-3:/Br
+<30,!2,O!,P,?S,/O!3^160>rl,!O!,Ph,-5:/Cl,-3:/Br
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromophos;MW:365.99;EXA:1
@@ -2051,7 +2049,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Malathion;MW:330.35;EXA:1
:
-<-30,!O!,P,?S,/O!^160,!S!,/!?O!'O!2`1,!,?O!,O!2
+<-30,!O!,P,?S,/O!^160,!S!,/!?O!'O!2`1,!?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methidathion;MW:302.32;EXA:1
@@ -2061,7 +2059,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mevinphos;MW:224.15;EXA:1
:
-<-30,!O!,P,?O,/O!^160,!O,!?,!d,!,?O!,O!
+<-30,!O!,P,?O,/O!^160,!O,!?,!d,!?O!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorpyrifos;MW:350.59;EXA:1
@@ -2111,7 +2109,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:EPN;MW:323.303;EXA:1
:
-<30,!2,O!,P,?S,/Ph^170,!,O,!Ph,-3:/NO2
+<30,!2,O!,P,?S,/Ph^170,!O!,Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Anilofos;MW:367.9;EXA:1
@@ -2131,7 +2129,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Edifenphos;MW:310.37;EXA:1
:
-<30,Ph, at 3,!,O!,P,?S,/O!2>rl^160,!,S,!Ph
+<30,Ph, at 3,!O!,P,?S,/O!2>rl^160,!,S,!Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethoprophos;MW:242.33;EXA:1
@@ -2156,27 +2154,27 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pirimiphos-methyl;MW:305.333;EXA:1
:
-<-30,!O!,P,?S,/O!^160,!O,!Ph,-5'-3:N,-2:?,-4:/N?2'!2
+<-30,!O!,P,?S,/O!^160,!O!,Ph,-5'-3:N,-2:?,-4:/N?2'!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyanophos;MW:243.22;EXA:1
:
-<-30,!O!,P,?S,/O!^160,!,O,!Ph,-3:/CN
+<-30,!O!,P,?S,/O!^160,!O!,Ph,-3:/CN
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dichlofenthion;MW:315.2;EXA:1
:
-<30,!2,O!,P,?S,/O!2^160>rl,!,O,!Ph,-5'-3:/Cl
+<30,!2,O!,P,?S,/O!2^160>rl,!O!,Ph,-5'-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenvalerate;MW:419.91;EXA:1
:
-<30,Ph,6:/Cl, at 3,!,/?!,!,?O,!O!,/CN,!Ph,-4:/O'!Ph>rl
+<30,Ph,6:/Cl, at 3,!,/?!,!?O,!O!,/CN,!Ph,-4:/O'!Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpropathrin;MW:349.4;EXA:1
:
-<-30,?3,{1^35'2^-35}:?w,{1^-35'2^35}:?z, at 3,!,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
+<-30,?3,{1^35'2^-35}:?w,{1^-35'2^35}:?z, at 3,!?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpropimorph;MW:303.49;EXA:1
@@ -2191,7 +2189,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bupirimate;MW:316.42;EXA:1
:
-<30,Ph,4'6:N,1:?, at 3,!,O!,S?O?O,!,N?!,2:/!3,5:/NH!2
+<30,Ph,4'6:N,1:?, at 3,!O!,S?O?O,!,N?!,2:/!3,5:/NH!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Buprofezin;MW:305.4;EXA:1
@@ -2201,7 +2199,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flamprop-methyl;MW:335.8;EXA:1
:
-<30,Ph,1:/Cl,6:/F, at 3,!,N,/?O!'Ph>rl,!?!,?O,!O!
+<30,Ph,1:/Cl,6:/F, at 3,!N,/?O!'Ph>rl,!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluacrypyrim;MW:426.392;EXA:1
@@ -2221,17 +2219,17 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flucythrinate;MW:451.5;EXA:1
:
-<30,Ph, at 6,!,O!,/F,!,F, at 3,!,/?!,!,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
+<30,Ph, at 6,!O!,/F,!,F, at 3,!,/?!,!?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flutolanil;MW:323.3;EXA:1
:
-<30,Ph,2:/?F?F!F, at 3,!,?O,!NH!,Ph,-1:/O'!?!
+<30,Ph,2:/?F?F!F, at 3,!?O,!NH!,Ph,-1:/O'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluvalinate;MW:502.92;EXA:1
:
-<30,Ph,5:/Cl,1:/?F?F!F, at 4,!,NH!,/?!,!,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
+<30,Ph,5:/Cl,1:/?F?F!F, at 4,!NH!,/?!,!?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flumioxazin;MW:354.337;EXA:1
@@ -2241,7 +2239,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pretilachlor;MW:311.85;EXA:1
:
-<30,Ph,2'4:/!, at 3,!,N,/?O!2'Cl`1,!3,O!3
+<30,Ph,2'4:/!, at 3,!N,/?O!2'Cl`1,!3,O!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Procymidone;MW:284.136;EXA:1
@@ -2251,7 +2249,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propachlor;MW:211.689;EXA:1
:
-<30,Ph, at 3,!,N,/?!,!,?O!2,Cl
+<30,Ph, at 3,!N,/?!,!,?O!2,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propazine;MW:229.7;EXA:1
@@ -2266,7 +2264,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propyzamide;MW:256.1;EXA:1
:
-<30,Ph,1'5:/Cl, at 3,!,?O,!NH,!??!,!t
+<30,Ph,1'5:/Cl, at 3,!?O,!NH,!??!,!t
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propiconazole;MW:342.22;EXA:1
@@ -2291,7 +2289,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromobutide;MW:312.2;EXA:1
:
-<30,Ph, at 3,!,??,!NH!,?O!,/Br,!??!
+<30,Ph, at 3,!??,!NH!,?O!,/Br,!??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromopropylate;MW:428.12;EXA:1
@@ -2316,10 +2314,10 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benoxacor;MW:260.1;EXA:1
:
-<90,Ph,3=?6,7:N,10:O,8:?, at 7,!,?O!,/Cl,!Cl
+<90,Ph,3=?6,7:N,10:O,8:?, at 7,!?O!,/Cl,!Cl
;
%------------------------------------------------------------------------------
-CAT:pesticide;EN:Heptachlor;MW:373.35;EXA:2
+CAT:pesticide;EN:Heptachlor;MW:373.35;EXA:1
:
<30,?6`1.3,3=?5,6'8=dl, at 2,210~wf`1.5,&5~wb,{1'2'5'6'9'10^-210'10^-150}:/Cl
;
@@ -2326,7 +2324,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Permethrin;MW:391.30;EXA:1
:
-<-30,?3,{2^-35'*2^35}:?w, at 1,!,!d,/Cl,!Cl, at 3,!,?O!,O!2,Ph,-4:/O!'Ph>rl
+<-30,?3,{2^-35'*2^35}:?w, at 1,!!d,/Cl,!Cl, at 3,!?O!,O!2,Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Penconazole;MW:284.184;EXA:1
@@ -2346,7 +2344,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benfuresate;MW:256.3;EXA:1
:
-<30,Ph,3=?5,7:O,9:??, at 6,!,O!,S?O?O,!2
+<30,Ph,3=?5,7:O,9:??, at 6,!O!,S?O?O,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bensulide;MW:397.5;EXA:1
@@ -2366,7 +2364,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Metolachlor;MW:283.8;EXA:1
:
-<30,Ph,5:/!,3:?, at 4,!,N,/?!2'O!,!,?O!2,Cl
+<30,Ph,5:/!,3:?, at 4,!N,/?!2'O!,!,?O!2,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mefenacet;MW:298.4;EXA:1
@@ -2381,17 +2379,17 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mepronil;MW:269.3;EXA:1
:
-<30,Ph,2:?, at 3,!,?O,!NH!,Ph,-2:/O'!?!
+<30,Ph,2:?, at 3,!?O,!NH!,Ph,-2:/O'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Molinate;MW:187.3;EXA:1
:
-<47,?7,3:N, at 3,!,?O!,S!2
+<47,?7,3:N, at 3,!?O!,S!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Resmethrin;MW:338.4;EXA:1
:
-<-30,?3,{2^-35'*2^35}:?w, at 1,!,!d,?!,3:/?O!'O!2,|,?5,3'5=dl,2:O,3:/!Ph
+<-30,?3,{2^-35'*2^35}:?w, at 1,!!d,?!,3:/?O!'O!2,|,?5,3'5=dl,2:O,3:/!Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lenacil;MW:234.3;EXA:1
@@ -2401,20 +2399,20 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Halfenprox;MW:477.4;EXA:1
:
-<30,Ph, at 6,!,O!,/F^35,/F^-35,!,Br, at 3,!,!??!,O!2,Ph,-2:/O!'Ph>rl
+<30,Ph, at 6,!O!,/F^35,/F^-35,!,Br, at 3,!,!??!,O!2,Ph,-2:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Paraquat;MW:257.16;EXA:1
:
-Ph, at 4,!,Ph,1'10:N?,1:p_^-90,10:p_^90, at 1,@(0'1.2),Cl,n_^15, at 10,@(0'1.2),Cl,n_^15
+Ph, at 4,!Ph,1'10:N?,1:p_^-90,10:p_^90, at 1,@(0'1.2),Cl,n_^15, at 10,@(0'1.2),Cl,n_^15
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxine-Copper;MW:351.852;EXA:1
:
-Ph,4:N,5=Ph, at -4,!,O,-60,<90,Cu,-90,O,60,Ph,-2=Ph,10:N, at 4,&12~vf, at 23,&12~vf
+Ph,4:N,5=Ph, at -4,!O,-60,<90,Cu,-90,O,60,Ph,-2=Ph,10:N, at 4,&12~vf, at 23,&12~vf
;
%------------------------------------------------------------------------------
-CAT:pesticide;EN:Endosulfan;MW:406.904;EXA:2
+CAT:pesticide;EN:Endosulfan;MW:406.904;EXA:1
:
<26,?7,7=#1.3'?6, at 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
@@ -2422,8 +2420,13 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Uniconazole-P;MW:291.779;EXA:1
:
-<30,Ph,6:/Cl, at 3,!,!d,!,/OH,!??!, at 8,!,|,?5,2'4=dl,1'2'4:N
+<30,Ph,6:/Cl, at 3,!!d,!,/OH,!??!, at 8,!,|,?5,2'4=dl,1'2'4:N
;
+%------------------------------------------------------------------------------
+CAT:pesticide;EN:Dimesulfazet;MW:336.33;EXA:1
+:
+<-60,Ph, at 3,!2,?4,-4:N,-2:??,-3:?O, at 4,30,NH!,S?O?O,!,?F?F!F
+;
%******************************************************************************
CAT:pesticide;EN:Azinphos-methyl;MW:317.318;EXA:1
:
@@ -2432,7 +2435,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azoxystorbin;MW:403.394;EXA:1
:
-<30,Ph,2:/CN, at 3,!,O,!Ph,-1'-3:N, at -4,!,O,!Ph, at -5,!,//!O!,!,?O!,O!
+<30,Ph,2:/CN, at 3,!O!,Ph,-1'-3:N, at -4,!O!,Ph, at -5,!,//!O!,!?O!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aramite;MW:334.859;EXA:1
@@ -2442,12 +2445,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldicarb;MW:190.3;EXA:1
:
-<-30,!,S,!,??,!,!d,N,!O!,?O,!NH!
+<-30,!,S,!??,!!d,N,!O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldoxycarb;MW:222.3;EXA:1
:
-<30,!,?O,!NH!,O!,N,!d,!,??,!,S?O?O,!
+<30,!?O,!NH!,O!,N,!d,!??,!,S?O?O,!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Isoxaflutole;MW:359.319;EXA:1
@@ -2475,10 +2478,10 @@
<30,Ph,3=?5,7'9:?O,8^55>lr:/!, at 8,-30,!2,Ph,-2:/Cl, at 11,?3,-2:O
;
%------------------------------------------------------------------------------
-CAT:pesticide;EN:Indoxacarb;MW:527.837;EXA:2
+CAT:pesticide;EN:Indoxacarb;MW:527.837;EXA: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!
+ @12,!?O!,N,!Ph,-3:/O!'?F?F!F,{8^-54`1'15}:/?O!'O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxamyl;MW:219.3;EXA:1
@@ -2493,17 +2496,17 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carbaryl;MW:201.22;EXA:1
:
-<30,Ph,5=Ph, at 4,!,?O,!O!,NH!
+<30,Ph,5=Ph, at 4,!?O,!O!,NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carpropamid;MW:334.665;EXA:1
:
-<-30,?3,1:?,{2^-35'*2^35}:*/Cl,3^70:/!, at 3,!,?O!,NH,!?!,Ph,-3:/Cl
+<-30,?3,1:?,{2^-35'*2^35}:*/Cl,3^70:/!, at 3,!?O!,NH,!?!,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cumyluron;MW:302.802;EXA:1
:
-<30,Ph, at 4,!,??,!NH!,?O!,NH,!2,Ph,-1:/Cl
+<30,Ph, at 4,!??,!NH!,?O!,NH,!2,Ph,-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cloquintocet-methyl;MW:335.83;EXA:1
@@ -2518,12 +2521,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chromafenozide;MW:394.515;EXA:1
:
-<30,?6,3=?6,5:O,7'9'11=dl,7:?, at 8,!,?O,!NH!,N,/??!,!,?O,!Ph,-4'-3:?
+<30,?6,3=?6,5:O,7'9'11=dl,7:?, at 8,!?O,!NH!,N,/??!,!?O,!Ph,-4'-3:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clomeprop;MW:324.2;EXA:1
:
-<30,Ph,4'6:/Cl,5:?, at 3,!,O,!?!,?O,!NH!,Ph
+<30,Ph,4'6:/Cl,5:?, at 3,!O,!?!,?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chloridazon;MW:221.6;EXA:1
@@ -2533,27 +2536,27 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chloroxuron;MW:290.745;EXA:1
:
-<30,Ph,6:/Cl, at 3,!,O,!Ph, at -3,!,NH!,?O!,N?!
+<30,Ph,6:/Cl, at 3,!O!,Ph, at -3,!NH!,?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyazofamid;MW:324.783;EXA:1
:
-<18,?5,2'5=dl,2'4:N,1:/Cl,3:/CN, at 4,!,S?O?O,!,N?!, at 5,!,Ph,-3:?
+<18,?5,2'5=dl,2'4:N,1:/Cl,3:/CN, at 4,!,S?O?O,!,N?!, at 5,!Ph,-3:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diuron;MW:233.1;EXA:1
:
-<30,Ph,1'6:/Cl, at 3,!,NH!,?O!,N?!
+<30,Ph,1'6:/Cl, at 3,!NH!,?O!,N?!
;
%------------------------------------------------------------------------------
-CAT:pesticide;EN:Cyflufenamid;MW:412.36;EXA:2
+CAT:pesticide;EN:Cyflufenamid;MW:412.36;EXA:1
:
-<30,Ph,4^20:/?F?F!F,1'2:/F, at 3,!2,NH!,?O!2,Ph, at -10,!d,N,!,<-12,O!2,?3
+<30,Ph,4^20:/?F?F!F,1'2:/F, at 3,!2,NH!,?O!2,Ph, at -10,!d,N!,<-12,O!2,?3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diflubenzuron;MW:310.7;EXA:1
:
-<30,Ph,2'4:/F, at 3,!,?O,!NH!,?O,!NH!,Ph,-3:/Cl
+<30,Ph,2'4:/F, at 3,!?O,!NH!,?O,!NH!,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyprodinil;MW:225.295;EXA:1
@@ -2573,22 +2576,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethomorph;MW:387.86;EXA:1
:
-<30,?6,1:O,4:N, at 4,!,?O!,!d`1,/Ph'(4:/Cl),!,|,Ph,4'5:/O!
+<30,?6,1:O,4:N, at 4,!?O!,!d`1,/Ph'(4:/Cl),!,|,Ph,4'5:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Silafluofen;MW:408.588;EXA:1
:
-<30,Ph, at 5,!,O,!Ph,-1:/F, at 10,!4,Si,??,!Ph,-3:/O!2
+<30,Ph, at 5,!O!,Ph,-1:/F, at 10,!4,Si,??,!Ph,-3:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Di-allate;MW:270.212;EXA:1
:
-<-30,!?!,N,!,?O!,S,!2,!d,!Cl,3:/?!,7:/Cl
+<-30,!?!,N!,?O!,S,!2,!d,!Cl,3:/?!,7:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Daimuron;MW:268.4;EXA:1
:
-<30,Ph, at 4,!,??,!NH!,?O,!NH!,Ph,-3:?
+<30,Ph, at 4,!??,!NH!,?O,!NH!,Ph,-3:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiacloprid;MW:252.72;EXA:1
@@ -2613,12 +2616,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebufenozide;MW:352.5;EXA:1
:
-<30,Ph,6:/!, at 3,!,?O,!NH!,N,/??!,!,?O,!Ph,-4'-2:?
+<30,Ph,6:/!, at 3,!?O,!NH!,N,/??!,!?O,!Ph,-4'-2:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Teflubenzuron;MW:381.1;EXA:1
:
-<30,Ph,2'4:/F, at 3,!,?O,!NH!,?O,!NH!,|,Ph,3'5:/Cl,4'6:/F
+<30,Ph,2'4:/F, at 3,!?O,!NH!,?O,!NH!,|,Ph,3'5:/Cl,4'6:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tridemorph;MW:297.5;EXA:1
@@ -2628,104 +2631,104 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triflumuron;MW:358.701;EXA:1
:
-<30,Ph,4:/Cl, at 3,!,?O,!NH!,?O,!NH!,Ph,-2:/O!'?F?F!F
+<30,Ph,4:/Cl, at 3,!?O,!NH!,?O,!NH!,Ph,-2:/O!'?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Naproanilide;MW:291.35;EXA:1
:
-<30,Ph,4=Ph, at 8,!,O,!?!,?O,!NH!,Ph
+<30,Ph,4=Ph, at 8,!O,!?!,?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Novaluron;MW:492.706;EXA:1
:
-<30,Ph,2'4:/F, at 3,!,?O,!NH!,?O,!NH!,
- Ph,-4:/Cl, at -3,!,O!,/F^-35,/F^35,!,/F,!O!,?F?F!F
+<30,Ph,2'4:/F, at 3,!?O,!NH!,?O,!NH!,
+ Ph,-4:/Cl, at -3,!O!,/F^-35,/F^35,!,/F,!O!,?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraclostrobin;MW:387.817;EXA:1
:
-<30,Ph, at 3,!2,O!,<12,|,?5,2'5=dl,4'5:N, at 4,12,Ph,-3:/Cl,||, at 2,!,N,/O!,!?O,!O!
+<30,Ph, at 3,!2,O!,<12,|,?5,2'5=dl,4'5:N, at 4,12,Ph,-3:/Cl,||, at 2,!N,/O!,!?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pirimicarb;MW:238.291;EXA:1
:
-<30,Ph,1'5:N,2'3:?,6:/N?!, at 4,!,O!,?O!,N?!
+<30,Ph,1'5:N,2'3:?,6:/N?!, at 4,!O!,?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenoxycarb;MW:301.35;EXA:1
:
-<30,Ph, at 5,!,O,!Ph, at -3,!,O!3,NH!,?O!,O!2
+<30,Ph, at 5,!O!,Ph, at -3,!,O!3,NH!,?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenobucarb;MW:207.3;EXA:1
:
-<30,Ph,5:/?!2, at 4,!,O!,?O,!NH!
+<30,Ph,5:/?!2, at 4,!O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ferimzone;MW:254.337;EXA:1
:
-<30,Ph,4:?, at 3,!,?,!d,N,!NH!,|,Ph,2'6:N,3'5:?
+<30,Ph,4:?, at 3,!?,!d,N,!NH!,|,Ph,2'6:N,3'5:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenamidone;MW:311.403;EXA:1
:
-<18,?5,4=dl,3'5:N,2:?O, at 3,!,NH!,Ph,4:/S!,1^52:?w,1^-48:/*Ph
+<18,?5,4=dl,3'5:N,2:?O, at 3,!NH!,Ph,4:/S!,1^52:?w,1^-48:/*Ph
;
%------------------------------------------------------------------------------
-CAT:pesticide;EN:Fenpyroximate;MW:421.49;EXA:2
+CAT:pesticide;EN:Fenpyroximate;MW:421.49;EXA:1
:
-<-6,?5,3'5=db,1'2:N,2'5:?, at 3,-15,O,!Ph, at 4,!,!d,N!,O!2,Ph, at -3,!,?O,-60,O,!4
+<-6,?5,3'5=db,1'2:N,2'5:?, at 3,-15,O,!Ph, at 4,!!d,N!,O!2,Ph, at -3,!?O,!O,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phenmedipham;MW:300.32;EXA:1
:
-<30,Ph,5:?, at 3,!,NH!,?O!,O,!Ph,-4:/NH!'?O!'O!
+<30,Ph,5:?, at 3,!NH!,?O!,O,!Ph,-4:/NH!'?O!'O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Butafenacil;MW:474.817;EXA:1
:
-<30,?6,5=dl,1'3:N,1:?,2'4:?O,6:/?F?F!F, at 3,!,Ph,-3:/Cl,
- @-2,!,?O,!O!,??,!,?O!,O!2,!d
+<30,?6,5=dl,1'3:N,1:?,2'4:?O,6:/?F?F!F, at 3,!Ph,-3:/Cl,
+ @-2,!?O,!O!,??!,?O!,O!2,!d
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flufenacet;MW:363.331;EXA:1
:
-<6,?5,2'5=dl,1'2:N,4:S,5:/?F?F!F, at 3,!,O!,-60,?O!,N,/?!,!Ph,-3:/F
+<6,?5,2'5=dl,1'2:N,4:S,5:/?F?F!F, at 3,!O!,!?O!,N,/?!,!Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flufenoxuron;MW:488.77;EXA:1
:
-<30,Ph,2'4:/F, at 3,!,?O,!NH!,?O,!NH!,Ph,-1:/F, at -3,!,O,!Ph,-3:/?F?F!F,-1:/Cl
+<30,Ph,2'4:/F, at 3,!?O,!NH!,?O,!NH!,Ph,-1:/F, at -3,!O!,Ph,-3:/?F?F!F,-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluridone;MW:329.3;EXA:1
:
-<30,?6,3'6=dl,2:N,2:?,5:?O, at 4,!,Ph,-4:/?F?F!F,6:/Ph
+<30,?6,3'6=dl,2:N,2:?,5:?O, at 4,!Ph,-4:/?F?F!F,6:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propaquizafop;MW:443.884;EXA:1
:
-<90,Ph,3=?6,8'10=dl,7'10:N,1:/Cl, at 8,!,O,!Ph, at -3,!,O,!?!,?O,!O,!3,O!,N,!dr,?!
+<90,Ph,3=?6,8'10=dl,7'10:N,1:/Cl, at 8,!O!,Ph, at -3,!O,!?!,?O,!O,!3,O!,N,!dr,?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexaflumuron;MW:461.14;EXA:1
:
-<30,Ph,2'4:/F, at 3,!,?O,!NH!,?O,!NH!,|,Ph,3'5:/Cl, at 4,!,O!,/F^-35,/F^35,!,/F,!F
+<30,Ph,2'4:/F, at 3,!?O,!NH!,?O,!NH!,|,Ph,3'5:/Cl, at 4,!O!,/F^-35,/F^35,!,/F,!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexathiazox;MW:352.877;EXA:1
:
-<30,?6, at 3,!,NH!,?O!,<-24,|,?5,1:N,3:S,2:?O,5:?, at 4,!,Ph,-3:/Cl
+<30,?6, at 3,!NH!,?O!,<-24,|,?5,1:N,3:S,2:?O,5:?, at 4,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pencycuron;MW:328.84;EXA:1
:
-<30,Ph,6:/Cl, at 3,!2,N,/?5,!,?O,!NH!,Ph
+<30,Ph,6:/Cl, at 3,!2,N,/?5,!?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bendiocarb;MW:223.228;EXA:1
:
-<30,Ph,5=?5,7'9:O,8:??, at 4,!,O!,?O,!NH!
+<30,Ph,5=?5,7'9:O,8:??, at 4,!O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pentoxazone;MW:353.774;EXA:1
@@ -2735,7 +2738,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Boscalid;MW:343.21;EXA:1
:
-<30,Ph,5:N,4:/Cl, at 3,!,?O,!NH!,Ph, at -1,!,Ph,-3:/Cl
+<30,Ph,5:N,4:/Cl, at 3,!?O,!NH!,Ph, at -1,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methabenzthiazuron;MW:221.3;EXA:1
@@ -2745,28 +2748,28 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methoxyfenozide;MW:368.48;EXA:1
:
-<30,Ph,2:?,1:/O!, at 3,!,?O,!NH!,N,/??!,!,?O,!Ph,-4'-2:?
+<30,Ph,2:?,1:/O!, at 3,!?O,!NH!,N,/??!,!?O,!Ph,-4'-2:?
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Monolinuron;MW:214.6;EXA:1
:
-<30,Ph,6:/Cl, at 3,!,NH!,?O!,N?!,O!
+<30,Ph,6:/Cl, at 3,!NH!,?O!,N?!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lactofen;MW:461.78;EXA:1
:
-<30,Ph,4:/Cl,6:/?F?F!F, at 3,!,O,!Ph,-3:/NO2, at -4,!,?O!,O,!?!,?O!,O!2
+<30,Ph,4:/Cl,6:/?F?F!F, at 3,!O!,Ph,-3:/NO2, at -4,!?O!,O,!?!,?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Linuron;MW:249.1;EXA:1
:
-<30,Ph,1'6:/Cl, at 3,!,NH!,?O!,N?!,O!
+<30,Ph,1'6:/Cl, at 3,!NH!,?O!,N?!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lufenuron;MW:511.15;EXA:1
:
<30,Ph,2'4:/F,
- @3,!,?O,!NH!,?O,!NH!,Ph,-1'-4:/Cl, at -3,!,O!,/F^35,/F^-35,!,/F,!,?F?F!F
+ @3,!?O,!NH!,?O,!NH!,Ph,-1'-4:/Cl, at -3,!O!,/F^35,/F^-35,!,/F,!,?F?F!F
;
%******************************************************************************
CAT:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:1
@@ -2829,7 +2832,7 @@
<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;EXA:2
+CAT:antibacterial;EN:Enrofloxacin;MW:359.401;EXA:1
:
<30,Ph,3=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10:?O, at 1,!,?6,-6:N,-3:N?2
;
@@ -2892,7 +2895,7 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Pirimethamin;MW:248.714;EXA:1
:
-<30,Ph,6:/Cl, at 3,!,Ph,-2'-4:N,-1:/!,-3'-5:/NH2
+<30,Ph,6:/Cl, at 3,!Ph,-2'-4:N,-1:/!,-3'-5:/NH2
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxibendazole;MW:249.27;EXA:1
@@ -2932,7 +2935,7 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Flubendazole;MW:313.288;EXA:1
:
-<30,Ph,3=?5,9=dl,7:NH,9:N, at 1,!,?O,!Ph,-2:/F,8:/NH!'?O!'O!
+<30,Ph,3=?5,9=dl,7:NH,9:N, at 1,!?O,!Ph,-2:/F,8:/NH!'?O!'O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Flumequine;MW:261.225;EXA:1
@@ -2942,17 +2945,17 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfanitran;MW:335.334;EXA:1
:
-<30,Ph, at 1,!,NH!,?O!, at 4,!,S?O?O,!NH!,Ph,-3:/NO2
+<30,Ph, at 1,!NH!,?O!, at 4,!,S?O?O,!NH!,Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Xylazine;MW:220.334;EXA:1
:
-<30,?6,3=dl,2:S,4:N, at 3,!,NH!,Ph,-5'-1:?
+<30,?6,3=dl,2:S,4:N, at 3,!NH!,Ph,-5'-1:?
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Famphur;MW:325.3;EXA:1
:
-<-30,!O!,P,?S,/O!^160,!,O,!Ph,-3:/S?O?O!'N?!
+<-30,!O!,P,?S,/O!^160,!O!,Ph,-3:/S?O?O!'N?!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Lincomycin;MW:406.54;EXA:1
@@ -2988,7 +2991,7 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:1
:
-<30,?6,6=dl,4:N,2:O,1:?,5:?O,6:/Ph, at 4,!,??,!Ph,-4'-2:/Cl
+<30,?6,6=dl,4:N,2:O,1:?,5:?O,6:/Ph, at 4,!??,!Ph,-4'-2:/Cl
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pyrrolnitrin;MW:257.07;EXA:1
@@ -2998,12 +3001,12 @@
%******************************************************************************
CAT:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2
:
-<-30,#1,!12,1'3'12=zf,7=wf,60,60,Ph, at -3,!,O,!Ph, at -4,!,O,!Ph, at -3,!,&1,
- @7,&26,@$1,60,60,NH,60,-60,Ph, at -1,!,Ph, at -2,&4,##,
+<-30,#1,!12,1'3'12=zf,7=wf,60,60,Ph, at -3,!O!,Ph, at -4,!O!,Ph, at -3,!,&1,
+ @7,&26,@$1,60,60,NH,60,-60,Ph, at -1,!Ph, at -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, at 13,!w,NH!,?O!,/??!,*/H^60,!z,NH!,
- @23,!,O,!z,|,?6`.7,2:O,3^10:*/!OH,*4'5:*/OH,
+ @23,!O,!z,|,?6`.7,2:O,3^10:*/!OH,*4'5:*/OH,
@-1,!z,O,!wb,|,?6`.7,6:O,{*3^35'5}:?w,3^-35:/NH2,4:/*OH
;
%------------------------------------------------------------------------------
@@ -3010,7 +3013,7 @@
CAT:marine toxine;EN:Okadaic acid;MW:805.00;EXA:2
:
<30,?6, at 4,?6, at -4,!4,<-12,?5, at -3,<-12,?6,-3=?6, at -3,!w,!3,
- ?6, at -4,?6, at 6,!2,?z^-40,*/OH^20,!,?O!,OH,
+ ?6, at -4,?6, at 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
;
@@ -3025,7 +3028,7 @@
@1,!,!dl,!,/*OH,!2,OH
;
%------------------------------------------------------------------------------
-CAT:marine toxine;EN:Ciguatoxine-3C;MW:1023.25;EXA:1
+CAT:marine toxine;EN:Ciguatoxine-3C;MW:1023.25;EXA:2
:
<30,?7,-5'-3=?6,-3=?7,-3=?8,-5=?9,-3=?7,-4=?6,-3=?8,-5=?6,-3=?7,-4=?6, at -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,
@@ -3047,7 +3050,7 @@
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:?, at 6,!,O,30,SO3Na,
+ @$6,!,|,!11,60~dr,-60,60,OH,*2'7'10:*/OH,1'3'*8:?w,11:?d,12:?, at 6,!O,30,SO3Na,
@$36,-45~zf,O,30,SO3Na,
@$150,!,|,!7,1'2:/*OH,4:?w,5:?z,7=dl
;
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mp
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mp 2025-02-02 20:58:21 UTC (rev 73703)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mp 2025-02-02 21:00:14 UTC (rev 73704)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 5.17 Copyright (c) 2013-2025 Akira Yamaji
+% mcf2graph ver 5.18 Copyright (c) 2013-2025 Akira Yamaji
%
% Permission is hereby granted, free of charge, to any person obtaining a copy of this software
% and associated documentation files (the "Software"), to deal in the Software without restriction,
@@ -22,7 +22,7 @@
% This package is located at : http://www.ctan.org/pkg/mcf2graph
% Suggestion or request mail to : mcf2graph at gmail.com
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 5.17 2025.01.13";
+message "* This is mcf2graph ver 5.18 2025.02.02";
tracingstats:=1; prologues:=3;
%-------------------------------------------------------------------------------------------------
newinternal string EN_,tempc,temps,blanks,line_s,atom_s,forbiddens,firstc,file_output;
@@ -127,7 +127,8 @@
def_com(-4090)(_com,_jp_atom,_jp_absA,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_tmp_line,_tmp_rot,
_tmp_env,_tmp_len,_chg_len,_set_len,_get_len,_ring_len,_rot_ang,_adj_ang,_chg_env,_set_colorA,
_set_colorB,_group_si,_group_dm,_group_wf,_group_zf,_set_adr,_mk_bond,_set_atom,_arrange_ang,
- _chg_atom,_fuse,_fuse_ext,_size_atom,_numeric,_numeric_inv,_jump_at,_set_add,_chg_add,_nop,
+ _chg_atom,_fuse,_fuse_ext,_size_atom,_numeric,_numeric_inv,_numeric_rot,
+ _jump_at,_set_add,_chg_add,_nop,
_mark,_moff,_term,_len_s,_len_e,_len_ss,_len_ee,_group_s,_group_e,_rest,_charge,_from,_until,
si,dl,dl_,dr,dr_,db,dm,dm_,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,wf_r,wb_r,bd_r,arc_lb,arc_br,
arc_lbr,arc_ltr,si_,wf_,wb_,zf_,zb_,wv_,bd_);
@@ -531,8 +532,8 @@
ef b==_nop:: message_unknown(block_cnt);
fi
ef f_type==1::
- CC(_group_s)
if a>=pcode_emb_start::
+ CC(_group_s)
for i==1 upto pcode_cnt[a]::
if pcode_x[a][i]==_numeric:: CA(bx,by,pcode_y[a][i])
ef pcode_x[a][i]==_numeric_inv::
@@ -542,8 +543,9 @@
else:: CP(pcode_x[a][i],pcode_y[a][i])
fi
endfor
- else:: CA(bx,by,a) fi
- CC(_group_e)
+ CC(_group_e)
+ else:: CC(_group_s) CA(bx,by,a) CC(_group_e)
+ fi
ef f_type==2:: cntC:=cntC+1; color_list[cntC]:=b; CA(_set_colorA,cntC,a)
fi
pcode_cnt[pcode_int]:=pcode_cnt[pcode_int]; pcode_int
@@ -902,7 +904,7 @@
cntB:=cntB+1;
if nA>-3700: angB[cntB]:=angT:=(angT+nA) mod 360; else: angB[cntB]:=angT:=nA+4095; fi
if f=1:
- if lenB[cntB]=_size_atom: posBe:=sfrt(posBs,1.12atom_wd,angT);
+ if lenB[cntB]=_size_atom: posBe:=sfrt(posBs,1.1atom_wd,angT);
else:
nA:=lenB[cntB]; if nA<0: nB:=glu_atom(adrT)+glu_atom(cntA+1); nA:=abs(nA); else: nB:=0; fi
posBe:=sfrt(posBs,nA*blen+nB,angT);
@@ -1117,6 +1119,7 @@
def circ_O = Z_o..(.8aW,fH-qP)..tension 1.5..(.2aW,fH-qP)..Z_m..
(.2aW,1.5hP)..tension 1.5..(.8aW,1.5hP)..cycle enddef;
def circ_Oh = (hP,qH)..Z_x..(fW,qH)..Z_y..cycle enddef;
+def circ_sOh = (hP,qH)..Z_x..(.98fW,qH)..Z_y..cycle enddef;
def circ_Oa = (hP,0.35aH)..Z_x..(fW,0.35aH)..(hW,.7aH)..cycle enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def draw_char(expr s,p)=
@@ -1137,7 +1140,7 @@
ef s="I": dwv Z_x--Z_s; dwh (hW-fP,hP)--(hW+fP,hP); dwh (hW-fP,fH)--(hW+fP,fH);
ef s="l": dwv Z_g--Z_f; dwh Z_s--Z_r; dwh Z_x--Z_z;
ef s="2": cdw (hP,1.3hP)..(.4fW,.35fH)..(fW,.65aH)..Z_s..(hP,.65aH); dwh Z_d--Z_a;
- ef s="3": cdw sbp(0,.75)circ_Oh; cdw sbp(.25,.95)circ_Oh shifted (0,hH-hP);
+ ef s="3": cdw sbp(0,.75)circ_Oh; cdw sbp(.25,.95)circ_sOh shifted (.2hP,hH-hP);
dwh (.3aW,hH)--(.7aW,hH);
ef s="4": dwh Z_j--Z_k; dwv Z_l--(0.75aW,aH)--(1.2hP,qH+hP); dwv (.75aW+qP,aH)--(1.7hP,qH+hP);
ef s="-": dwh Z_m--Z_o;
@@ -1451,24 +1454,26 @@
NO_ATOM:=`("",0,0);
tbl_atom_end:=tbl_cnt;
%-----------------------------------------------------------------------------------------------
- !:=!1:='((_mk_bond,_arrange_ang));
- if f_expand=1:
- CH3:='(/H,/H^60,/H^-60); NH:='(N,/H); NH2:='(N,/H^60,/H^-60); NO2:='(N,//O^60,//O^-60);
- OH:='(O,!,H); NO:='(N,//O); CONH2:='(//O,!,NH2); SH:='(S,!,H); SO2H:='(S,//O^60,/OH^-60);
- SO3H:='(S,/OH,//O^60,//O^-60); CHO:='(//O^-60,/H^60); COOH:='(//O^-60,/OH^60); CN:='(!~tm,N);
- ONa:='(O,!,Na); SO3Na:='(S,/ONa,//O^60,//O^-60);
- else:
+ if f_expand=0:
CH3:=``("C{H_3_}")(C,H,H,H); CH2:=``("C{H_3_}")(C,H,H); CN:=``("CN")(C,N); OH:=``("OH")(O,H);
COOH:=``("COOH")(C,O,O,H); COONa:=``("COO{Na}")(C,O,O,Na); CHO:=``("CHO")(C,H,O);
NO:=``("NO")(N,O); NO2:=``("N{O_2_}")(N,O,O); NH2:=``("N{H_2_}")(N,H,H);
- SH:= ``("SH")(S,H); SO2H:=``("S{O_2_}H")(S,O,O,H); SO3H:=``("S{O_3_}H")(S,O,O,O,H);
+ SH:=``("SH")(S,H); SO2H:=``("S{O_2_}H")(S,O,O,H); SO3H:=``("S{O_3_}H")(S,O,O,O,H);
ONa:=``("O{Na}")(O,Na); SO3Na:=``("S{O_3_}{Na}")(S,O,O,O,Na);
fi
%-----------------------------------------------------------------------------------------------
tbl_group_end:=tbl_cnt; pcode_atm_end:=pcode_num;
- ?:='((_group_si,NO_ATOM)); ?wf:=?w:='((_group_wf,NO_ATOM)); ?zf:=?z:='((_group_zf,NO_ATOM));
- ?dm:=?d:='((_group_dm,NO_ATOM)); ?O:='((_group_dm,O)); ?S:='((_group_dm,S)); NH:='(N,/H~nl);
- ?NH:='((_group_dm,NH));
+ !:=!1:='((_mk_bond,_arrange_ang));
+ if f_expand=1:
+ NH:='(N,/H); CH3:='(/H,/H^60,/H^-60); NH2:='(N,/H^60,/H^-60); NO2:='(N,//O^60,//O^-60);
+ OH:='(O,!,H); NO:='(N,!~dm,O); SH:='(S,!,H); SO2H:='(S,//O,!,OH);
+ SO3H:='(S,//O^35,//O^-35,!,OH); CHO:='(//O,!,H); COOH:='(//O,!,OH); CN:='(!~tm,N);
+ ONa:='(O,!,Na); SO3Na:='(S,//O^35,//O^-35,!,Na);
+ else: NH:='(N,/H~nl);
+ fi
+ ?:='((_group_si,NO_ATOM)); ?wf:=?w:='((_group_wf,NO_ATOM));
+ ?zf:=?z:='((_group_zf,NO_ATOM)); ?dm:=?d:='((_group_dm,NO_ATOM));
+ ?O:='((_group_dm,O)); ?S:='((_group_dm,S)); ?NH:='((_group_dm,NH));
%-----------------------------------------------------------------------------------------------
?H:='(/H); ?F:='(/F); ?Cl:='(/Cl); ?OH:='(/OH); ?OH:='(/COOH); ?NH2:='(/NH2);
for i=3 upto 20: ?[i]:='((_com,_len_ss),(_get_len,_ring_len),<((-180 DIV i)-90)
@@ -1477,12 +1482,12 @@
Ph:=Ph1:='(?6,-2=dl,-4=dl,-6=dl); Ph2:='(?6,-1=dl,-3=dl,-5=dl);
%-----------------------------------------------------------------------------------------------
!db:=!d:='(!~db); !tm:=!t:='(!~tm); !wf:=!w:='(!~wf); !zf:=!z:='(!~zf); !wb:='(!~wb);
- !zb:='(!~zb); !dl:='(!~dl); !dr:='(!~dr); !dm:='(!~dm);
+ !zb:='(!~zb); !dl:='(!~dl); !dr:='(!~dr); !dm:='(!~dm); !!d:='(!,!db); !!d!:='(!,!db,!);
for i==2 upto 20:
![i]:='((_com,_len_ss),(_get_len,_tmp_len),! for j==2 upto i::,! endfor ,(_com,_len_ee));
endfor
?!:='(?,!); ?!d:='(?,!d); ?!2:='(?,!2); ??!:='(?,?^60,60); ??:='(?^35,?^-35);
- !?:='(!,?); !?!:='(!?,!); !??!:='(!,??,!); ?2:='(/!); !?2:='(!,?2); ?2!:='(?2,!);
+ !?:='(!,?); !?!:='(!?,!); !??!:='(!,??,!); !??:='(!,??); ?2:='(/!); !?2:='(!,?2); ?2!:='(?2,!);
n_:='((_set_add,MIS)); p_:='((_set_add,PLS));
mark_adress:='((_com,_mark)); reset_adress:='((_com,_moff)); reset_length:='((_com,_len_e));
%-----------------------------------------------------------------------------------------------
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