CONTROL:
"!Hlg;F,Cl,Br,I"
"!MN2;[Cu],[Zn],[Sr],[Co],[Cr],[Fe],[Ni],[Cd],[Zr],[Mn],[Hg]"
"!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"

ID	Type	P	Probability_Group	ExpertGroup	Source	Forbidden	TotalForbidden	Product	TransformationName	Reliability	Comment	ModelName	MetabolizeWay	ExpertTransformation	EnzymList	ForbbidenIDsInLowerLevel	Kinetic Type	Model information
1	Abiotic	1.000000	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|0				0			Constant	
2	Abiotic	1.000000	0	0	C{-}N{+}#N	-	-	C=N#N		1.0000|0|0				0			Constant	
3	Abiotic	1.000000	0	0	N{-}=N{+}=N	-	-	N#N=N		1.0000|0|0				0			Constant	
4	Abiotic	1.000000	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|0				0			Constant	
5	Abiotic	1.000000	0	0	C(=O)N{-}N{+}#N	-	-	C(=O)N=N#N		1.0000|0|0				0			Constant	
6	Abiotic	1.000000	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|0				0			Constant	
7	Abiotic	1.000000	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|0				0			Constant	
8	Abiotic	1.000000	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|0				0			Constant	
9	Abiotic	1.000000	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|0				0			Constant	
10	Abiotic	1.000000	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|0				0			Constant	
11	Abiotic	1.000000	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|0				0			Constant	
12	Abiotic	1.000000	0	0	N=N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	-	N=N=O		1.0000|0|0				0			Constant	
13	Abiotic	1.000000	0	0	N=N{+}N{-}	-	-	N=N=N		1.0000|0|0				0			Constant	
14	Abiotic	1.000000	0	0	C=N{+}N{-}	-	-	C=N=N		1.0000|0|0				0			Constant	
15	Abiotic	1.000000	0	0	C=N{+}C{-}	-	-	C=N=C		1.0000|0|0				0			Constant	
16	Abiotic	1.000000	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|0				0			Constant	
17	Abiotic	1.000000	0	0	C#N{+}N{-}	-	-	C#N=N		1.0000|0|0				0			Constant	
18	Abiotic	1.000000	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|0				0			Constant	
19	Abiotic	1.000000	0	0	C#N{+}C{-}	-	-	C#N=C		1.0000|0|0				0			Constant	
20	Abiotic	1.000000	0	0	CP{+}(C)(C)O{-}	-	-	CP(C)(C)=O		1.0000|0|0				0			Constant	
21	Abiotic	1.000000	0	0	N{+}(=O)(O{-})O	-	-	N(=O)(=O)O		1.0000|0|0				0			Constant	
22	Abiotic	1.000000	0	0	C{+}O{-}	-	-	C=O		1.0000|0|0				0			Constant	
23	Abiotic	1.000000	0	0	CO{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+}	CO{H}		1.0000|0|0				0			Constant	
24	Abiotic	1.000000	0	0	C{-}P{+}(C)(C)C	-	-	C=P(C)(C)C		1.0000|0|0				0			Constant	
25	Abiotic	1.000000	0	0	O=S(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+}	O=S(=O)O{H}		1.0000|0|0				0			Constant	
26	Abiotic	1.000000	0	0	O{-}P{V5}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+}	P{V5}O{H}		1.0000|0|0				0			Constant	
27	Abiotic	1.000000	0	0	O{-}P{V3}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+}	P{V3}O{H}		1.0000|0|0				0			Constant	
28	Abiotic	1.000000	0	0	C(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+} N{+}	N{+}	C(=O)O{H}		1.0000|0|0				0			Constant	
29	Abiotic	1.000000	0	0	M1Ox	OC{H}C OC(C)O	M1(R)(R)(R)R	M1{+}.Ox{-}		1.0000|0|0				0			Constant	
30	Abiotic	1.000000	0	0	M2Ox	OC{H}C OC(C)O	M2(R)(R)(R)R CCCCCCCC	M2{+}.Ox{-}		1.0000|0|0				0			Constant	
31	Abiotic	1.000000	0	0	M2{+}Ox	OC{H}C OC(C)O	M2(R)(R)(R)R CCCCCCCC	M2{2+}.Ox{-}		1.0000|0|0				0			Constant	
32	Abiotic	1.000000	0	0	MN2Ox	OC{H}C OC(C)O MN2(=R)(=R)(R)R{-}	MN2(R)(R)(R)R CCCCCCCC MN2(=R)(=R)(R)R MN21(O)OCCN=NCCO1 c1ccc2c(c1)OMN2(O)Oc1c(cccc1)N=N2	MN2{+}.Ox{-}		1.0000|0|0				0			Constant	
33	Abiotic	1.000000	0	0	MN2{+}Ox	OC{H}C OC(C)O	MN2(R)(R)(R)R CCCCCCCC  MN21(O)OCCN=NCCO1 c1ccc2c(c1)OMN2(O)Oc1c(cccc1)N=N2	MN2{2+}.Ox{-}		1.0000|0|0				0			Constant	
34	Abiotic	1.000000	0	0	M3Ox	OC{H}C OC(C)O	M3(R)(R)(R)R CCCCCC M3(=R)(=R)(R)R M3(=R)(=R)(R)R{-} M31(O)Oc2c(cccc2)N=Nc2ccccc2O1	M3{+}.Ox{-}		1.0000|0|0				0			Constant	
35	Abiotic	1.000000	0	0	M3{+}Ox	OC{H}C OC(C)O	M3(R)(R)(R)R CCCCCC M31(O)Oc2c(cccc2)N=Nc2ccccc2O1	M3{2+}.Ox{-}		1.0000|0|0				0			Constant	
36	Abiotic	1.000000	0	0	M3{2+}Ox	OC{H}C OC(C)O	M3(R)(R)(R)R CCCCC M31(O)Oc2c(cccc2)N=Nc2ccccc2O1	M3{3+}.Ox{-}		1.0000|0|0				0			Constant	
37	Abiotic	1.000000	0	0	M4Ox	OC{H}C OC(C)O	M4(R)(R)(R)(R)R CCCCC	M4{+}.Ox{-}		1.0000|0|0				0			Constant	
38	Abiotic	1.000000	0	0	M4{+}Ox	OC{H}C OC(C)O	M4(R)(R)(R)(R)R CCCCC	M4{2+}.Ox{-}		1.0000|0|0				0			Constant	
39	Abiotic	1.000000	0	0	M4{2+}Ox	OC{H}C OC(C)O	M4(R)(R)(R)(R)R CCCCC	M4{3+}.Ox{-}		1.0000|0|0				0			Constant	
40	Abiotic	1.000000	0	0	M4{3+}Ox	OC{H}C OC(C)O	M4(R)(R)(R)(R)R CCCCC	M4{4+}.Ox{-}		1.0000|0|0				0			Constant	
41	Abiotic	1.000000	0	0	N{V5}ON(=O)=O	-	-	N{V5}{+}.O{-}N(=O)=O		1.0000|0|0				0			Constant	
42	Abiotic	1.000000	0	0	P{V5}Hlg	P{V5}=O P{V5}=S	OP(C)(=O)F	P{V5}{+}.Hlg{-}		1.0000|0|0				0			Constant	
43	Abiotic	1.000000	0	0	S{V4}Hlg	S{V4}=O S{V4}=P	-	S{V4}{+}.Hlg{-}		1.0000|0|0				0			Constant	
44	Abiotic	1.000000	0	0	N{+}(AK)(AK)(AK)AN	-	-	N{H}(AK)(AK)(AK)AN		1.0000|0|0				0			Constant	
45	Abiotic	1.000000	0	0	N{H}(AK)(AK)(AK)AN	N(=O)=O	-	N{H}{+}(AK)(AK)(AK).AN{-}		1.0000|0|0				0			Constant	
46	Abiotic	1.000000	0	0	N{+}(=AK)(AK)AN	AK=N{V5}{+}.O{-}	-	N{H}(=AK)(AK)AN		1.0000|0|0				0			Constant	
47	Abiotic	1.000000	0	0	N{H}(=AK)(AK)AN	N(=O)=O	-	N{H}{+}(=AK)(AK).AN{-}		1.0000|0|0				0			Constant	
48	Abiotic	1.000000	0	0	N{+}(#C)AN	-	-	N{H}(#C)AN		1.0000|0|0				0			Constant	
49	Abiotic	1.000000	0	0	N{H}(#C)AN	N(=O)=O	-	N{H}{+}(#C).AN{-}		1.0000|0|0				0			Constant	
50	Abiotic	1.000000	0	0	N(=AK)(AK)(AN)AK	N(=O)=O	-	N{+}(=AK)(AK)(.AN{-})AK		1.0000|0|0				0			Constant	
51	Abiotic	1.000000	0	0	N(AK)(AK)(AK)(AN)AK	N(=O)=O	-	N{+}(AK)(AK)(AK)(.AN{-})AK		1.0000|0|0				0			Constant	
52	Abiotic	1.000000	0	0	N(#C)(AN)AK	N(=O)=O	-	N{+}(#C)(.AN{-})AK		1.0000|0|0				0			Constant	
53	Abiotic	1.000000	0	0	N(=AK)(AN)=AK	N(=O)=O	-	N{+}(=AK)(.AN{-})=AK		1.0000|0|0				0			Constant	
54	Abiotic	1.000000	0	0	c1cn(AN)(AK)ccc1	N(=O)=O	-	c1cn{+}(.AN{-})(AK)ccc1		1.0000|0|0				0			Constant	
55	Abiotic	1.000000	0	0	c1cn{H}(AN)ccc1	N(=O)=O	-	c1cn{H}{+}(.AN{-})ccc1		1.0000|0|0				0			Constant	
56	Abiotic	1.000000	0	0	c1cn{+}(AN)ccc1	N(=O)=O	-	c1cn{H}(AN)ccc1		1.0000|0|0				0			Constant	



