CONTROL:
"!Hlg;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	c1ccccn{+}1O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	-	c1ccccn1=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	
32	Abiotic	1.000000	0	0	N{-}=N{+}=C	-	-	N#N=C		1.0000|0|0				0			Constant	
4	Abiotic	1.000000	0	0	N{+}(=O)O{-}	-	-	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{4+}.O{-} R.O{-}	-	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{4+}.O{-} R.O{-}	-	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{4+}.O{-} R.O{-}	-	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{4+}.O{-} R.O{-}	-	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{4+}.O{-} R.O{-}	-	CS(C)(=O)=O		1.0000|0|0				0			Constant	
11	Abiotic	1.000000	0	0	N=N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	-	N=N=O		1.0000|0|0				0			Constant	
12	Abiotic	1.000000	0	0	N=N{+}N{-}	-	-	N=N=N		1.0000|0|0				0			Constant	
13	Abiotic	1.000000	0	0	C=N{+}N{-}	-	-	C=N=N		1.0000|0|0				0			Constant	
14	Abiotic	1.000000	0	0	C=N{+}C{-}	-	-	C=N=C		1.0000|0|0				0			Constant	
15	Abiotic	1.000000	0	0	C=N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	-	C=N=O		1.0000|0|0				0			Constant	
16	Abiotic	1.000000	0	0	C#N{+}N{-}	-	-	C#N=N		1.0000|0|0				0			Constant	
17	Abiotic	1.000000	0	0	C#N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	-	C#N=O		1.0000|0|0				0			Constant	
18	Abiotic	1.000000	0	0	C#N{+}C{-}	-	-	C#N=C		1.0000|0|0				0			Constant	
19	Abiotic	1.000000	0	0	CP{+}(C)(C)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	-	CP(C)(C)=O		1.0000|0|0				0			Constant	
20	Abiotic	1.000000	0	0	N{+}(=O)(O{-})O	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	-	N(=O)(=O)O		1.0000|0|0				0			Constant	
21	Abiotic	1.000000	0	0	C{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	-	C=O		1.0000|0|0				0			Constant	
22	Abiotic	1.000000	0	0	C{-}P{+}(C)(C)C	-	-	C=P(C)(C)C		1.0000|0|0				0			Constant	
23	Abiotic	1.000000	0	0	O=S(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	N{+}	O=S(=O)O{H}		1.0000|0|0				0			Constant	
24	Abiotic	1.000000	0	0	O=P(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	N{+}	O=P(=O)O{H}		1.0000|0|0				0			Constant	
25	Abiotic	1.000000	0	0	C(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-}	N{+}	C(=O)O{H}		1.0000|0|0				0			Constant


