CONTROL:
"!ClBrN1;Cl,Br,N"
"!ClBr1;Cl,Br"
"!Donor;[Cu],[Zn],[Sr],[Co],[Cr],[Fe],[Ni],[Cd],[Zr],[Mn],[Hg],[Mg],[Ru],[Pd],[Pt],[Cu]{2+},[Cr]{3+},[Fe]{2+},[Fe]{3+},[Ni]{2+},[Co]{2+},[Cu]{+},[V],[Cr]{+}"
"!M191;[Zn],[Cd],[Mn]"
"!M192;[Sr],[Cr],[Zr]"
"!Hlg;F,Cl,Br,I"
"!M10;[Li],[Na],K,[Rb],[Cs],[Sr],N{H4}"
"!M15;[Be],[Ca],[Mg],[Sr],[Ba]"
"!M17;[Pb],[Ti]"
"!M18;[Al],[Mn],[Cr],[Bi],[Sc],[Ga],[In],[Gd],[Lu],[Sb],[Fe],[Ce],[Yb],[Nd]"
"!M19;[Cu],[Zn],[Co],[Fe],[Ni],[Cd],[Mn],[Ag],[Hg]"
"!MN2;[Cu],[Zn],[Sr],[Co],[Cr],[Fe],[Ni],[Cd],[Zr],[Mn],[Hg]"
"!OF1;O,F"
"!AK;C,N"
"!AN;F,Cl,Br,I,O,S,B,N(=O)(=O)O,O=S(=O)(O)O,O=P(O)(O)O"
"!M1;[Li],[Na],[K],N{H4},[Rb],[Cs],[Sr{H}],[Cu{H}],[Zn{H}],[Co{H}],[Fe{V2}{H}],[Ni{H}],[Cd{H}],[Mn{{V2}{H}],[Ag],[Hg{H}]"
"!M2;[Be],[Ca],[Mg],[Ba],[Sr]"
"!M3;[Al],[Mn],[Cr],[Bi],[Sc],[Ga],[In],[Gd],[Lu],[Sb],[Fe],[Ce],[Yb],[Nd]"
"!M4;[Ce],[Pb],[Ti]"
"!Ox;O,S{V2},P,N{V3},[B],F,Cl,Br,I"
"!Oy;O,S,N,F,Cl,Br,I"

ID	Type	P	Probability_Group	ExpertGroup	Source	Forbidden	TotalForbidden	Product	TransformationName	Reliability	Comment	ModelName	MetabolizeWay	ExpertTransformation	EnzymList	ForbbidenIDsInLowerLevel	Kinetic Type	Model information	Reliability type	Application all	Application OK 	Expert reliability	Count of Application in LLNA	Count of Application in GP	 help file for reaction	Application Alert OK	All Alert Count
1	Abiotic	1.0000000000	0	0	N{V5}{ar}{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	-	N{V5}{ar}=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
2	Abiotic	1.0000000000	0	0	C{-}N{+}#N	-	-	C=N#N		1.0000				0			Constant		Undefined	0	0	0	0	0		00
3	Abiotic	1.0000000000	0	0	N{-}=N{+}=N	-	-	N#N=N		1.0000				0			Constant		Undefined	0	0	0	0	0		00
4	Abiotic	1.0000000000	0	0	N{+}(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-} R{2+}.Cl{-} R{3+}.Cl{-} Cl{3+}(.Cl{-}).Cl{-}	-	N(=O)=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
5	Abiotic	1.0000000000	0	0	C(=O)N{-}N{+}#N	-	-	C(=O)N=N#N		1.0000				0			Constant		Undefined	0	0	0	0	0		00
6	Abiotic	1.0000000000	0	0	C(=O)(O{-})C(C)N{+}{H3}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	C(=O)(O{H})C(C)N{H2}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
7	Abiotic	1.0000000000	0	0	CS{+}(C)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CS(C)=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
8	Abiotic	1.0000000000	0	0	CN{+}(C)(C)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CN(C)(C)=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
9	Abiotic	1.0000000000	0	0	CS{2+}(O{-})(O{-})O	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CS(=O)(=O)O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
10	Abiotic	1.0000000000	0	0	CS{2+}(C)(O{-})O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CS(C)(=O)=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
11	Abiotic	1.0000000000	0	0	CS(C)(O{-})O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CS(C)(=O)=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
12	Abiotic	1.0000000000	0	0	N=N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	-	N=N=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
13	Abiotic	1.0000000000	0	0	N=N{+}N{-}	-	-	N=N=N		1.0000				0			Constant		Undefined	0	0	0	0	0		00
14	Abiotic	1.0000000000	0	0	C=N{+}N{-}	-	-	C=N=N		1.0000				0			Constant		Undefined	0	0	0	0	0		00
15	Abiotic	1.0000000000	0	0	C=N{+}C{-}	-	-	C=N=C		1.0000				0			Constant		Undefined	0	0	0	0	0		00
16	Abiotic	1.0000000000	0	0	C=N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+} O{-}N{+}(=C)NC=O	-	C=N=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
17	Abiotic	1.0000000000	0	0	C#N{+}N{-}	-	-	C#N=N		1.0000				0			Constant		Undefined	0	0	0	0	0		00
18	Abiotic	1.0000000000	0	0	C#N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	C#N=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
19	Abiotic	1.0000000000	0	0	C#N{+}C{-}	-	-	C#N=C		1.0000				0			Constant		Undefined	0	0	0	0	0		00
20	Abiotic	1.0000000000	0	0	CP{+}(C)(C)O{-}	-	-	CP(C)(C)=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
21	Abiotic	1.0000000000	0	0	N{+}(=O)(O{-})O	-	-	N(=O)(=O)O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
22	Abiotic	1.0000000000	0	0	C{+}O{-}	-	-	C=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
23	Abiotic	1.0000000000	0	0	CO{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+} S{V4}{+} c1cco{+}cc1	CO{H}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
24	Abiotic	1.0000000000	0	0	C{-}P{+}(C)(C)C	-	-	C=P(C)(C)C		1.0000				0			Constant		Undefined	0	0	0	0	0		00
25	Abiotic	1.0000000000	0	0	O=S(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	N{+} c1cco{+}cc1 S{V4}{+}	O=S(=O)O{H}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
26	Abiotic	1.0000000000	0	0	O{-}P{V5}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	N{+} c1cco{+}cc1 S{V4}{+}	P{V5}O{H}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
27	Abiotic	1.0000000000	0	0	O{-}P{V3}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	N{+} c1cco{+}cc1 S{V4}{+}	P{V3}O{H}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
28	Abiotic	1.0000000000	0	0	C(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	N{+} S{V4}{+} c1cco{+}cc1	C(=O)O{H}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
41	Abiotic	1.0000000000	0	0	N{V5}ON(=O)=O	-	-	N{V5}{+}.O{-}N(=O)=O		1.0000				0			Constant		Undefined	0	0	0	0	0		00
46	Abiotic	1.0000000000	0	0	N{+}(=AK)(AK)AN	AK=N{V5}{+}.O{-}	-	N{H}(=AK)(AK)AN		1.0000				0			Constant		Undefined	0	0	0	0	0		00
47	Abiotic	1.0000000000	0	0	N{H}(=AK)(AK)AN	N(=O)=O	-	N{H}{+}(=AK)(AK).AN{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
48	Abiotic	1.0000000000	0	0	N{+}(#C)AN	-	-	N{H}(#C)AN		1.0000				0			Constant		Undefined	0	0	0	0	0		00
49	Abiotic	1.0000000000	0	0	N{H}(#C)AN	N(=O)=O	-	N{H}{+}(#C).AN{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
50	Abiotic	1.0000000000	0	0	N(=AK)(AK)(AN)AK	N(=O)=O	-	N{+}(=AK)(AK)(.AN{-})AK		1.0000				0			Constant		Undefined	0	0	0	0	0		00
51	Abiotic	1.0000000000	0	0	N(AK)(AK)(AK)(AN)AK	N(=O)=O	-	N{+}(AK)(AK)(AK)(.AN{-})AK		1.0000				0			Constant		Undefined	0	0	0	0	0		00
52	Abiotic	1.0000000000	0	0	N(#C)(AN)AK	N(=O)=O	-	N{+}(#C)(.AN{-})AK		1.0000				0			Constant		Undefined	0	0	0	0	0		00
53	Abiotic	1.0000000000	0	0	N(=AK)(AN)=AK	N(=O)=O	-	N{+}(=AK)(.AN{-})=AK		1.0000				0			Constant		Undefined	0	0	0	0	0		00
54	Abiotic	1.0000000000	0	0	c1cn(AN)(AK)ccc1	N(=O)=O	-	c1cn{+}(.AN{-})(AK)ccc1		1.0000				0			Constant		Undefined	0	0	0	0	0		00
55	Abiotic	1.0000000000	0	0	c1cn{H}(AN)ccc1	N(=O)=O	-	c1cn{H}{+}(.AN{-})ccc1		1.0000				0			Constant		Undefined	0	0	0	0	0		00
56	Abiotic	1.0000000000	0	0	c1cn{+}(AN)ccc1	N(=O)=O	-	c1cn{H}(AN)ccc1		1.0000				0			Constant		Undefined	0	0	0	0	0		00
57	Abiotic	1.0000000000	0	0	M10Ox	OC(C)O OC{H}C	M10(R)(R)(R)R	M10{+}.Ox{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
58	Abiotic	1.0000000000	0	0	M19OF1	OC(C)O OC{H}C	M191(R)(R)(R)R	M19{+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
60	Abiotic	1.0000000000	0	0	OyM15	[Be]S [Be]I OC{H}C OC(C)O	M15(R)(R)(R)R	Oy{-}.M15{+}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
61	Abiotic	1.0000000000	0	0	OyM15{+}	[Be]S [Be]I OC{H}C OC(C)O	M15(R)(R)(R)R	Oy{-}.M15{+}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
59	Abiotic	1.0000000000	0	0	M191ClBr1	[Cd]Br OC{H}C OC(C)O	M191(R)(R)(R)R	M191{+}.ClBr1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
62	Abiotic	1.0000000000	0	0	M18OF1	OC{H}C OC(C)O	M18(R)(R)(R)R	M18{+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
63	Abiotic	1.0000000000	0	0	M18{+}OF1	OC{H}C OC(C)O	M18(R)(R)(R)R	M18{2+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
64	Abiotic	1.0000000000	0	0	M18{2+}OF1	OC{H}C OC(C)O	M18(R)(R)(R)R	M18{3+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
65	Abiotic	1.0000000000	0	0	M19{+}OF1	[Ag] OC{H}C OC(C)O	M19(R)(R)(R)R	M19{2+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
66	Abiotic	1.0000000000	0	0	M191{+}ClBr1	OC{H}C OC(C)O	M191(R)(R)(R)R	M191{2+}.ClBr1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
67	Abiotic	1.0000000000	0	0	M192OF1	OC{H}C OC(C)O	M192(R)(R)(R)R	M192{+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
68	Abiotic	1.0000000000	0	0	M192{+}OF1	OC{H}C OC(C)O	M192(R)(R)(R)R	M192{+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
69	Abiotic	1.0000000000	0	0	[Sr]{+}S	OC{H}C OC(C)O	[Sr](R)(R)(R)R	[Sr]{+}.S{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
70	Abiotic	1.0000000000	0	0	[Sr]{+}I	OC{H}C OC(C)O	[Sr](R)(R)(R)R	[Sr]{+}.I{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
71	Abiotic	1.0000000000	0	0	ClBrN1M192	[Cr]Br OC(C)O OC{H}C	M192(R)(R)(R)R	ClBrN1{-}.M192{+}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
72	Abiotic	1.0000000000	0	0	[Ce]Oy	OC{H}C OC(C)O	[Ce](R)(R)(R)(R)R	[Ce]{+}.Oy{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
73	Abiotic	1.0000000000	0	0	[Ce]{+}Oy	OC{H}C OC(C)O	[Ce](R)(R)(R)(R)R	[Ce]{2+}.Oy{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
74	Abiotic	1.0000000000	0	0	[Ce]{2+}Oy	OC(C)O OC{H}C	[Ce](R)(R)(R)(R)R	[Ce]{3+}.Oy{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
75	Abiotic	1.0000000000	0	0	[Ce]{3+}Oy	OC{H}C OC(C)O	[Ce](R)(R)(R)(R)R	[Ce]{4+}.Oy{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
76	Abiotic	1.0000000000	0	0	M17OF1	OC{H}C OC(C)O	M17(R)(R)(R)(R)R	M17{+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
77	Abiotic	1.0000000000	0	0	M17{+}OF1	OC{H}C OC(C)O	M17(R)(R)(R)(R)R	M17{2+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
78	Abiotic	1.0000000000	0	0	M17{2+}OF1	OC(C)O OC{H}C	M17(R)(R)(R)(R)R	M17{3+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
79	Abiotic	1.0000000000	0	0	M17{3+}OF1	OC{H}C OC(C)O	M17(R)(R)(R)(R)R	M17{4+}.OF1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
80	Abiotic	1.0000000000	0	0	[Ti]ClBrN1	OC(C)O OC{H}C	[Ti](R)(R)(R)(R)R	[Ti]{+}.ClBrN1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
81	Abiotic	1.0000000000	0	0	[Ti]{+}ClBrN1	OC{H}C OC(C)O	[Ti](R)(R)(R)(R)R	[Ti]{2+}.ClBrN1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
82	Abiotic	1.0000000000	0	0	[Ti]{2+}ClBrN1	OC{H}C OC(C)O	[Ti](R)(R)(R)(R)R	[Ti]{3+}.ClBrN1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
83	Abiotic	1.0000000000	0	0	[Ti]{3+}ClBrN1	OC(C)O OC{H}C	[Ti](R)(R)(R)(R)R	[Ti]{4+}.ClBrN1{-}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
84	Abiotic	1.0000000000	0	0	N{V5}{+}O{-}	O{-}N{+}(=C)NC=O	-	N{V5}=O		1.0000	New transformation , added by RV at 06.03.2013			0			Constant		Undefined	0	0	0	0	0		00
85	Abiotic	1.0000000000	0	0	N{-}=N{+}=C	-	-	N#N=C		1.0000	New transformation , added by RV at 06.03.2013			0			Constant		Undefined	0	0	0	0	0		00
86	Abiotic	1.0000000000	0	0	N(O{-})O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-}	-	N(=O)=O		1.0000	New transformation , added by RV at 06.03.2013			0			Constant		Undefined	0	0	0	0	0		00
87	Abiotic	1.0000000000	0	0	O{-}S(=O)(=O)O{-}.N{+}	N{+}.O{-}	-	O{H}S(=O)(=O)O{-}.N{+}		1.0000	New transformation , added by RV at 06.03.2013			0			Constant		Undefined	0	0	0	0	0		00
88	Abiotic	1.0000000000	0	0	O=P(O{-})(O{-})O{-}.N{+}	N{+}.O{-}	-	O=P(O{H})(O{H})O{-}.N{+}		1.0000	New transformation , added by RV at 06.03.2013			0			Constant		Undefined	0	0	0	0	0		00
29	Abiotic	1.0000000000	0	0	O=O{+}O{-}	-	-	O=O=O		1.0000	Ozone equalizatioin , Add from RV 12.03.2013			0			Constant		Undefined	0	0	0	0	0		00
31	Abiotic	1.0000000000	0	0	O=Cl(=O)(=O)O{-}	-	O{-}.R{+} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-}	O=Cl(=O)(=O)O{H}		1.0000	Perchlorate equalization , add from RV 12.03.2103			1			Constant		Undefined	0	0	0	0	0		00
30	Abiotic	1.0000000000	0	0	O=ClO{-}	-	O{-}.R{+} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-}	Cl(=O)O{H}		1.0000	Chlorite equalization , add from RV 12.03.2013			1			Constant		Undefined	0	0	0	0	0		00
32	Abiotic	1.0000000000	0	0	N{H}{V5}	N{V5}=O N{+} N{H4}{V5}O DonorN{V5} N{H4}{V5}S	Donor(N{V3})N{V3} Donor(N{V5})N{V5} DonorN{V3} DonorN{V5}	N{V5}{+}		1.0000				0			Constant		Undefined	0	0	0	0	0		00
33	Abiotic	1.0000000000	0	0	P{H}{V3}(Any_Atom)Any_Atom	P{V3}=O	-	P{V3}{+}(Any_Atom)Any_Atom		1.0000				0			Constant		Undefined	0	0	0	0	0		00
34	Abiotic	1.0000000000	0	0	P{H}{V5}(Any_Atom)(Any_Atom)(Any_Atom)Any_Atom	P{V5}=O P{V5}(N)N	-	P{V5}{+}(Any_Atom)(Any_Atom)(Any_Atom)Any_Atom		1.0000				0			Constant		Undefined	0	0	0	0	0		00
35	Abiotic	1.0000000000	0	0	S{H}{V4}(C)(C)C	-	-	S{V4}{+}(C)(C)C		1.0000				0			Constant		Undefined	0	0	0	0	0		00
37	Abiotic	1.0000000000	0	0	S{H}{V4}(C)(O)C	-	-	S{V4}{+}(C)(O)C		1.0000				0			Constant		Undefined	0	0	0	0	0		00



