CONTROL:
"~Acceptors{-}F[X1],Cl[X1],Br[X1],I[X1],N(=O)(=O)[X1],N{+}(=O)(O{-})[X1],C(Halogen)(Halogen)(Halogen)[X1],S(=O)(=O)(O)[X1],S(=O)(=O)(O)O[X1],C(=O)[X1];"
"@Chain1{-}C(Enum15)(Enum15)([X1])[V1];"
"@Chain2{-}C{H2}([X1])[V1];"
"@Chain3{-}C(C)(C)([X1])[V1],C{H}(C)([X1])[V1],C{H2}([X1])[V1];"
"!Enum10;OC{sp3},O{H},N{v3},H"
"!Enum11{-}C{sp3}[X1],[X1]H"
"!Enum12;OS(=O)(=O)C{H3},OS(=O)(=O)C{H2}C{H3},OS(=O)(=O)C{ar},OS(=O)(=O)OC{H3},OS(=O)(=O)OC{H2}C{H3},OS(=O)(=O)OC{ar}"
"!Enum13;C(=O)OC{ar},C(=O)Cl,C(=O)Br,C(=O)I,C(=O)F"
"!Enum14;H,C{sp3},C{ar}"
"!Enum15;H,C{H3},C{H2}C{H3}"
"!Enum16;H,C{sp3},C{ar},OC{sp3},Cl,Br,I,F"
"!Enum17;O{H},S{H}{v2},N{H}{v3},H"
"!Enum18;O,N{v3}"
"!Enum19;O,C,N{+},N{sp3}"
"!Enum20;H,C{sp3}"
"!Enum21;O,N{sp3}"
"!Enum22;C{H2}O{H},C(O{H})=O,C(=O)OC{H3},C{H2}OS(=O)(=O)O{H}"
"!Enum23;C=C,C=Hetero"
"!Enum24;C,N"
"!Enum25;C{sp3},H"
"!Enum26;C{H3},H"
"!Enum27;OC{H3},C{H3},N{H2}{sp3},N{H}{SP3}C{sp3},N{SP3}(C{sp3})C{sp3},O{H},H"
"!Enum28;C{H2}O{H},C{H}=O,H"
"!Enum29;C{sp2},N,S,O,P,C{sp3}O,C{sp3}S,C{sp3}P,C{sp3}N"
"!Enum1;N(=O)=O,C#N,C(F)(F)F,S(=O)(=O)O{H},C(=O)OC,C(=O)O{H},C(Cl)(Cl)Cl,C(Br)(Br)Br,C{H2}Cl,C(=O)C{H3},C{H3}C(C{H3})=C(C{SCY})C{SCY},C{H}=O"
"!Enum2;C{sp3}"
"!Enum3;C(=O)c1ccccc1,C(C{H3})(C{H3})C{H3},C(C{scy})(C{H3})C{scy}"
"!Enum4;F,Cl,Br,I"
"!Enum5;F,Cl,Br"
"!Enum6;C{H3},OC{H3}"
"!Enum7;OC{H2}{sp3},N{acy}{v3}"
"!Enum8;OC{H3},N(C{H3})C{H3}"
"!Enum9;N(=O)=O,C#N,C(F)(F)F,S(=O)(=O)O{H},C(=O)OC,C(O{H})=O,C(Cl)(Cl)Cl,C(Br)(Br)Br,C{H2}Cl,C(C{H3})=O,C{H3}C(C{H3})=C(C{scy})C{scy}"
"~Pos10{-}N(=O)(=O)[X1],C([X1])#N,C([X1])(F)(F)F,S([X1])(C{SP3})=O,S([X1])(C{SP3})(=O)=O;"
"~Pos12{-}C{H3}[X1],C{H2}([X1])C{H3},C{H2}([X1])C{H2}C{H3};"
"~Pos13{-}[X1]H,[X1]F,[X1]Cl,[X1]Br,[X1]I,[X1]C{sp3},[X1]C{ar},[X1]OC{sp3};"
"~Pos14{-}O{H}[X1],N{H}([X1])C{sp3};"
"~Pos15{-}O{H}[X1],N{H2}[X1],S{H}[X1],[X1]H;"
"~Pos16{-}S(=O)(=O)(O{-})[X1],S(=O)(=O)(O{H})[X1];"
"~Pos17{-}O([X1])C=O;"
"~Pos18{-}C(=O)([X1])OC,C(=O)(O{H})[X1],O(C)C(O{H})[X1];"
"~Pos19{-}N(=O)(=O)[X1];"
"~Pos20{-}N(=O)(=O)[X1],N{+}(=O)(O{-})[X1],C(F)(F)(F)[X1];"
"~Pos21{-}F[X1],Cl[X1],Br[X1],I[X1];"
"~Pos25{-}C{sp3}[X1],C{sp3}O[X1],C{sp3}N([X1])C{sp3};"
"~Pos26{-}O(C{H3})[X1],C{sp3}[X1],N{sp3}([X1])(C{sp3})C{sp3},N{H}{sp3}([X1])C{sp3},N{H2}{sp3}[X1],O{H}[X1],[X1]H;"
"~Pos29{-}O(C{H3})[X1],C{SP3}[X1],N{SP3}([X1])(C{SP3})C{SP3},N{H}{SP3}([X1])C{SP3},N{H2}{SP3}[X1],O{H}[X1];"
"~Pos30{-}O{H}[X1],C{H}{sp3}[X1],N{H2}{sp3}[X1],N{sp3}(C{sp3})(C{sp3})[X1],N{H}{sp3}(C{sp3})[X1];"
"*Exh1;C{sp3},H"
"~@Het1;C,N"
"~@Het2;C,S"
"~@Het3;O,C"
"~@Het4;C,O,N{sp3}"
"~Pos1{-}O{H}[X1];"
"~Pos2{-}N(=O)(=O)[X1],C(#N)[X1],C(F)(F)(F)[X1],S(=O)(=O)(O{H})[X1],C(=O)([X1])OC,C(=O)([X1])O{H},C(Cl)([X1])(Cl)Cl,C(Br)([X1])(Br)Br,C{H2}([X1])Cl,C([X1])(C{H3})=O,C{H2}([X1])C(C{H3})=C(C{scy})C{scy},C{H}([X1])=O;"
"~Pos3{-}C(=O)[X1];"
"~Pos4{-}S(=O)(=O)(O{H})[X1];"
"~Pos5{-}[X1]H,[X1]C,[X1]CO;"
"~Pos6{-}O{H}[X1],N{H2}[X1],N{H}([X1])C{sp3},N{H}(C{ar})[X1];"
"~Pos7{-}O(C{sp3})[X1],[X1]H;"
"~Pos8{-}[X1]H,Cl[X1],F[X1],Br[X1],I[X1],C{sp3}[X1],C{ar}[X1],O{H}[X1],O([X1])C{sp3},C(=O)(O{H})[X1],N{v5}(=O)(=O)[X1];"
"~Pos9{-}C{H}(=O)[X1],C(=O)([X1])C;"

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
45	Oxidation	0.9990000000	126	20	C{H2}=C(C{H3})C{H2}C{SP3}	-	OO{H} C1CO1 C1OOC1 R{+}	C{H2}=C(C{H3})C{H}(C{SP3})OO{H}|4	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
82	Oxidation	0.9990000000	171	28	C{H2}=C(C{SP3})C{H}(O{H})C{sp3}	C{H2}=C(C{SP3})C{H}(O{H})C{SP3}_C=CCO{H}	OO{H} C1CO1 C1OOC1	C{H2}=C(C{SP3})C(=O)C{SP3}	Allyl Alcohol Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
38	Oxidation	0.9990000000	187	20	C1C(C{H2}{SCY}C{H}{SCY}=C{scy}C{H3})C1	-	OO{H} C1CO1 C1OOC1 R{+}	C1C(C{H}{SCY}(C{H}{SCY}=C{SCY}C{H3})OO{H})C1|4	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
34	Oxidation	0.9990000000	189	20	C{H3}C{H}(C{H3})C{H}=C{H}C{sp3}{acy}	-	OO{H} C1CO1 C1OOC1 R{+}	C{H3}C(C{H3})(OO{H})C{H}=C{H}C{acy}{sp3}|4	Allylic Hydroperoxide Formation	1.0000				0			First order		Undefined	0	0	0	0	0		00
31	Oxidation	0.9990000000	108	21	C{acy}C(C{acy})(C{acy})C{H}=O	-	OO{H} C1CO1 C1OOC1	C{acy}C(C{acy})(C{acy})C(=O)O{H}	Aldehyde Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
67	Oxidation	0.9990000000	183	25	C{SCY}C{H}{SCY}(C{SCY})C{SCY}=N{SCY}C{scy}	-	OO{H} C1CO1 C1OOC1 R{+}	C{SCY}C{SCY}(C{SCY})(C{SCY}=N{SCY}C{SCY})OO{H}|4	Alkyl Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
52	Oxidation	0.9990000000	71	6	CC{H}=C{H}C{H}=C{H}C	CC=CC{H}=C{H}C_C{SCY}(C{H3})=C{scy} C{H3}C=C{H}C{H}=C{H}CC{H3} C(=CC=C)C=O_C=O	COO{H} C1CO1 C1COO1 R{+}	CC{H}=C{H}C{H}1C{H}(C)OO1|12	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
70	Oxidation	0.9990000000	120	6	C{SCY}(C{H3})=C{SCY}C{ACY}{H}=C{acy}{H}	-	C1OC1 OO R{+}	C1(C{H3})C(C{acy}{H}=C{acy}{H})OO1	Peroxide Formation	0.6364				0			Constant		Undefined	0	0	0	0	0		00
54	Abiotic	0.9990000000	72	12	C1COO1	C{H3}C=C{H}C1OOC1C{H}=CC{H3} C12(C{H3})C(C{H2}C{H}(O{H})C{H2}C{H2}1)OO2 C1(Enum5)COO1	OO{H} C1CO1	C=O|11_C=O	Peroxide Oxidative  Decomposition	0.7778				0			Constant		Undefined	0	0	0	0	0		00
87	Abiotic	0.9990000000	74	11	C{H}(=O)OC{ar}	-	OO{H} C1CO1 C1OOC1	C{ar}O{H}_C{H}(=O)O{H}	Formate Ester Hydrolysis	1.0000				0			Constant		Undefined	0	0	0	0	0		00
125	Oxidation	0.9990000000	94	18	C{H2}1CC(C{H}=C{H})=C(C{H3})C{H2}C{H2}1	-	OO{H} C1CO1 C1OOC1	C{H2}1CC(C{H}=O)=C(C{H3})C{H2}C{H2}1_C{H}=O	Polyene Oxidative Cleavage	0.5294				0			Constant		Undefined	0	0	0	0	0		00
124	Oxidation	0.9990000000	93	18	C{H2}1CC(C{H}=C{H})=C(C{H3})C{H2}C{H2}1	-	OO{H} C1CO1 C1OOC1	C{H2}1CC(=O)C{H}(C{H3})C{H2}C{H2}1_C{H2}C{H}=O	Polyene Oxidative Cleavage	0.6000				0			Constant		Undefined	0	0	0	0	0		00
13	Oxidation	0.9990000000	107	21	C{SCY}(C{H3})(C{SCY})(C{SCY})C{H}=O	-	OO{H} C1CO1 C1OOC1	C{SCY}(C{H3})(C{SCY})(C{SCY})C(=O)O{H}	Aldehyde Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
30	Oxidation	0.9990000000	182	25	C{H}(C{scy})(C{scy})C{acy}	C{SCY}C{SCY}(C{SCY})=C{H}{SCY}C{H}{SCY}(C{H3})C{scy} C{H}(C{scy})(C{scy})C{acy}~O C{H}(C{SCY})(C{SCY})CC(=O)O C{H}(C{SCY})(C{SCY})C{ACY}_C(=O)O{H} C{H}(C{scy})(C{scy})C(=C{H2})C{H3} C{H}1(C(C)C)C(C)C=CC{H2}1 C1C(C)C{H}(C(C)C)CC1 C{H}(C{SCY})(C{SCY})C{ACY}_C{scy}(C{H3})C{H}=O C1C=CC{H}(C)CC=1 C{H}(C{SCY})(C{ACY})C{SCY}=O	C1CO1 OO{H} C1OOC1 C=CC{H}=O C{H}(=O)O O{H}_O{H} R{+}\\170	C(C{SCY})(C{SCY})(C{ACY})OO{H}|4	Alkyl Hydroperoxide Formation	0.8571				0			Constant		Undefined	0	0	0	0	0		00
96	Abiotic	0.9990000000	0	2	c1cc(O{H})nc2c1cccc2	-	-	C1=CC(=O)N{H}c2c1cccc2	Tautomerization	1.0000				0			First order		Undefined	0	0	0	0	0		00
17	Oxidation	0.9990000000	60	5	c1c(O{H})ccc(C{H}2C{H2}C{H}2)c1	c1c(O{H})ccc(C{H}2C{H2}C{H}2)c1_Enum1 c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	C1CO1 OO{H} C1OOC1	C1C(=O)C=CC(=C{H}C{H2}C{H2})C=1|6	Quinone Methide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
20	Oxidation	0.9990000000	79	9	C{SCY}(O{H})=C{SCY}O{H}	C{SCY}(O{H})=C{SCY}O{H}_Enum1	OO{H} C1CO1 C1OOC1	C{scy}(=O)C{scy}=O|11	Endiol Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
24	Oxidation	0.9990000000	81	10	[Si](C{sp3})(C{sp3})(C{sp3})[Si]	[Si](C)(C)(C)O[Si](O[Si](C)(C)C)[Si](C)(C)C	OO{H} C1CO1 C1OOC1	[Si](C{SP3})(C{SP3})(C{SP3})O[Si]	Sylilsilane Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
21	Oxidation	0.9990000000	76	7	C{scy}{sp3}C{SCY}(C{scy}{sp3})=C{SCY}(C{scy}{sp3})C{scy}{sp3}	C(=O)C=CC=O C1=CC(=Enum19)C=CC1=Enum19	OO{H} C1CO1 C1OOC1 C(=O)C=O	C{scy}{sp3}C{SCY}1(C{scy}{sp3})C{SCY}(C{scy}{sp3})(C{scy}{sp3})O1|30	Epoxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
123	Oxidation	0.9990000000	77	6	C{scy}{sp3}C{SCY}(C{scy}{sp3})=C{SCY}(C{scy}{sp3})C{scy}{sp3}	C(=O)C=CC=O C1=CC(=Enum19)C=CC1=Enum19	OO{H} C1CO1 C1OOC1 C(=O)C=O R{+}	C1(C{scy}{sp3})(C{scy}{sp3})C(C{scy}{sp3})(C{scy}{sp3})OO1|12	Cyclic Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
63	Oxidation	0.9990000000	83	13	C{AR}S{V2}C(=C{H})OC{sp3}	-	OO{H} C1CO1 C1OOC1	C{AR}S{V2}C{H}C(=O)OC{sp3}	Alkoxyarylmercaptoalkene Oxidative Rearrangement	1.0000				0			Constant		Undefined	0	0	0	0	0		00
16	Oxidation	0.9990000000	96	10	P{V3}(C{sp3})(C{sp3})C{sp3}	-	OO{H} C1CO1 C1OOC1	P(C{SP3})(C{SP3})(C{SP3})=O	Phosphine Oxidation	1.0000				0			First order		Undefined	0	0	0	0	0		00
25	Oxidation	0.9990000000	97	10	P(=O)(C{sp3})(C{sp3)C{sp3}	-	OO{H} C1CO1 C1OOC1	P(=O)(C{SP3})(C{SP3})OC{sp3}	Phosphine Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
81	Oxidation	0.9990000000	175	28	C{SCY}C{SCY}(C{SP3})=C{H}{SCY}C{H}{SCY}(O{H})C{scy}	-	OO{H} C1CO1 C1OOC1	C{SCY}C{SCY}(C{SP3})=C{H}{SCY}C{SCY}(=O)C{SCY}	Allyl Alcohol Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
29	Oxidation	0.9990000000	101	21	c{H}1c(C{H}=O)c{H}c{H}c{H}c{H}1	-	R{+} OO{H} C1OOC1 C1CO1	c{H}1c(C(=O)OO{H})c{H}c{H}c{H}c{H}1|4	Peroxycarboxylic acid Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
108	Oxidation	0.9990000000	98	18	C{H}=C{H}C(C{H3})=C{H}C{H}=C{H}	-	OO{H} C1CO1 C1OOC1 C{H}=O_C{H}=O	C{H}=C{H}C(=O)C{H3}|18_C{H}=C{H}C{H}=O|18	Polyene Oxidative Cleavage	0.4186				0			Constant		Undefined	0	0	0	0	0		00
14	Oxidation	0.9990000000	64	5	c1c2c(ccc1)ccc(Enum21H)c2Enum21H	C{SCY}(=Enum21)(C{SCY})C{SCY}(C{SCY})=Enum21	OO{H} C1CO1 C1OOC1\\210	c1c2c(ccc1)C=CC(=Enum21)C2=Enum21|1	Naphthalene Diamine Oxidation	0.7500				0			First order		Undefined	0	0	0	0	0		00
210	Oxidation	0.9990000000	2	5	c1cc2c(c{H}c1)c{H}cc(O{H})c2N{H2}	c1(S(=O)(=O)O{H})ccccc1	OO{H} C1CO1 C1OOC1	c1cc2c(c{H}c1)C{H}=CC(=O)C2=N{H}|1	Aminonaphthol Oxidation	0.0000				0			First order		Undefined	0	0	0	0	0		00
26	Oxidation	0.9990000000	90	10	P(=O)(C{SP3})(C{SP3})OC{sp3}	-	OO{H} C1CO1 C1OOC1	P(=O)(C{SP3})(OC{SP3})OC{sp3}	Phosphine Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
2	Oxidation	0.9990000000	68	5	c1c(N{H2})ccc(N{H2})c1	c1c(N{H2})ccc(N{H2})c1~Enum1 c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2"	OO{H} C1CO1 C1OOC1\\229,240	C1C(=N{H})C=CC(=N{H})C=1	Phenylene Diamine Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
74	Oxidation	0.9990000000	69	7	C{ar}S{V2}C{H}=C{H2}	-	OO{H} C1CO1 C1OOC1	C{ar}S{V2}C{H}1C{H2}O1|15	Epoxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
93	Oxidation	0.9990000000	87	17	c1c(N(C{H3})C{H3})ccc(O{H})c1	c1c(N(C{H3})C{H3})ccc(O{H})c1~Enum1	OO{H} C1CO1 C1OOC1	c1c(O{H})ccc(O{H})c1|5_N{H}(C{H3})C{H3}	Aminophenol Oxidative N-Demethylation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
94	Oxidation	0.9990000000	88	17	c1c(N(C{H3})C{H3})ccc(O{H})c1	c1c(N(C{H3})C{H3})ccc(O{H})c1~Enum1	OO{H} C1CO1 C1OOC1	c1c(N{H}C{H3})ccc(O{H})c1_C{H2}=O	Aminophenol Oxidative N-Demethylation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
146	Abiotic	0.9990000000	194	4	O{H}OEnum3	CC{H}(O{H})OO{H} C{H}=C{H}C{H}(OO{H})C{H2}C{H}=C{H} C{H}=C{H}C{H}=C{H}C{H}OO{H} CC(C)(O)OO{H} O(C{H2}C{H2}O)C{H}(C{H2}C{SP3})OO{H} C{H2}(C{H}(OC{H2})OO{H})OC{H2} C{H2}(O{H})C{H}(OC{H2})OO{H} O{H}OC{H}(C)OC{H2}C{H2}O C{H2}=C{SCY}(C{H}{SCY}OO{H})C{H}{SCY}(C{SCY})C{SCY}_C{scy}{H}=C{scy}(C{H3})C{scy}{H2} C{H2}=C{SCY}(C{H2}{SCY})C{H}{SCY}(C{scy})C{scy}_O(O{H})C{H}{SCY}C{SCY}(=C{H}{SCY})C{H3}	-	O{H}Enum3|28	Hydroperoxide Decomposition	1.0000				0			Constant		Undefined	0	0	0	0	0		00
141	Abiotic	0.9990000000	160	0	C1(=N{H})C=CC(=N{H})C=C1	C1(=N)C2C(=O)c3c(C(=O)C=2C(=N)C=C1)cccc3 C1(=N{H})C{~1}{~1}=C{~1}{~1}C(=N{H})C{~1}{~1}=C{~1}{~1}1"~1Pos19;1"	-	C1(=N{H})C(N{H}c2c{H}c{H}c(N{H2})c{H}c{H}2)C=C(N{H2})C=C1	Condensation Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
152	Abiotic	0.9990000000	201	3	C(C{sp3})(=C{H})C{H3}	C(C{SP3})(=C{H})C{H3}_C=CC=C C1(C(=C{H2})C{H3})CC=C(C{H3})CC1 C1C(C)C2C(CC1)CC{H2}C(C{H3})=C{H}2 C1C(=C(C{H3})C{H3})CC=CC1 C12C(CC=CC1)C2~C{H3} C{H2}=C(C{H3})C{H}_C{H2}=C(C{H3})C{H} C{H}=C{H}C{H}(C{H3})C{H3}_C{H2}=C(C{H3})C{H} O{H}C{H2}C{H}=CC{H3}_C=C(C{H3})C{H3} C=CC=O_C=C(C{H3})C{H3} C{H3}C{H}(C{H3})C{H}=C{H}_C(C{H3})=CC{H2}O{H} C1C2C(C1)C(=C{H2})CCC=C(C)CC2 C(=O)C=CC C(O{H})C(=C)C{H3} C{SCY}(C{SCY}{SP3})(=C{H}{SCY})C{H3}_C{scy}{H}O{H} C(C)(O)(C=C{H2})CCC CC1C(C)(C)CC1 C1(C)(CCC)C2(C)C3C2CC1C3 CCC=CC=O	C1CO1 COO{H} C1OOC1 C(=O)C=C\\7	C{sp3}C(C{H2})=C{H2}|7;20	Allylic Rearrangement	1.0000				0			Constant		Undefined	0	0	0	0	0		00
153	Abiotic	0.9990000000	0	3	C{H2}C{H}=C(C{H3})C{SP3}	C(C{SP3})(=C{H})C{H3}_C=CC=C C1C(=C(C{H3})C{H3})CC=CC1 C12C(CC=CC1)C2~C{H3} C=CC=O_C=C(C{H3})C{H3} C{H3}C{H}(C{H3})C{H}=C{H}_C(C{H3})=CC{H2}O{H} C1C2C(C1)C(=C{H2})CCC=C(C)CC2 C{H2}(O{H})C{H}=CC{H3} C(O{H})C(=C)C{H3} C{H}1(C{SP2})C{H2}C=C(C{H3})C{H2}C1 CC1C(C)(C)CC1 C(C)(O)(C=C{H2})CC C1(C)(CC)C2(C)C3C2CC1C3 CCC(C)=CCO{H}	C1CO1 C1OOC1 COO{H} C(=O)C=C	C{H}=C{H}C{H}(C{H3})C{sp3}|7;20	Allylic Rearrangement	1.0000				0			First order		Undefined	0	0	0	0	0		00
137	Abiotic	0.9990000000	156	0	C{H3}C(C{H3})=C{scy}C{scy}{H2}C{scy}{H}=C{scy}C{H3}|OO{H}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
23	Abiotic	0.9990000000	0	2	c1cc2c(cc1)CC(O{H})=CO2	-	-	c1cc2c(cc1)CC(=O)C{H}O2	Tautomerization	1.0000				0			First order		Undefined	0	0	0	0	0		00
19	Oxidation	0.9990000000	200	6	C1C(=O)C=CC(=C{H}C{H2}C{H}(C{ar})OO{H})C=1	-	C1CO1	c1c(O{H})ccc(C{H}2OOC{H}(C{ar})C{H2}2)c1	Cyclic Peroxide Formation	1.0000				0			First order		Undefined	0	0	0	0	0		00
18	Oxidation	0.9990000000	80	8	c1c(C{H2}C{H2}C{H}=C{scy})cccc1	-	C1CO1 OO{H} C1OOC1 R{+}	c1c(C{H}(C{H2}C{H}=C{SCY})OO{H})cccc1|4;6	Benzylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
116	Abiotic	0.9990000000	0	11	C{ar}C(=O)OC{ar}	-	OO{H} C1CO1 C1OOC1	C(=O)(O{H})C{ar}_C{ar}O{H}	Ester Hydrolysis	1.0000				0			First order		Undefined	0	0	0	0	0		00
22	Oxidation	0.9990000000	0	8	c1c(C{H}{SCY}(O{SCY})C{scy}=O)cccc1	c1c2c(ccc1)C(C=O)OC2	OO{H} C1CO1 C1OOC1 R{+}	c1c(C{SCY}(O{SCY})(C{SCY}=O)OO{H})cccc1|4;18	Benzylic Hydroperoxide Formation	1.0000				0			First order		Undefined	0	0	0	0	0		00
114	Abiotic	0.9990000000	0	16	C{ar}C(O)(C(=O)O{H})OC{ar}	-	C1CO1 C1OOC1	C{ar}C{H}(O)OC{ar}|23_C(=O)=O	Decarboxylation	1.0000				0			First order		Undefined	0	0	0	0	0		00
113	Oxidation	0.9990000000	0	18	c1cc2c(cc1)C(=O)C(=O)C(O)(c1ccc(O{H})cc1)O2	-	C1CO1 C1OOC1	c1cc(c(C(=O)O{H})cc1)OC(O)(C(=O)O{H})C2=CC=C(O{H})C=C2|16	Pyranone Ring Oxidative Cleavage	1.0000				0			First order		Undefined	0	0	0	0	0		00
115	Oxidation	0.9990000000	0	23	C{ar}OC{H}(C{ar})OO{H}	-	C1CO1 C1OOC1	C{ar}OC(C{ar})=O|11	Ether Hydroperoxide Oxidation	1.0000				0			First order		Undefined	0	0	0	0	0		00
15	Abiotic	0.9990000000	62	11	C1CCOC1=O	-	C1CO1 OO{H} C1OOC1	C(=O)(O{H})CCCO{H}	Lactone Hydrolysis	1.0000				0			Constant		Undefined	0	0	0	0	0		00
49	Abiotic	0.9990000000	192	0	c1c2c(ccc1)ccc(O{H})c2N{H2}	-	S(=O)(=O)O{H}_S(=O)(=O)O{H}\\140	Oligomer	Condensation Product Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
110	Oxidation	0.9990000000	92	18	C(C{H3})=C{H}C{H}=C{H}CC{H3}	-	OO{H} C1CO1 C1OOC1 C{H}=O_C{H}=O	C(C{H3})=C{H}C{H}=O|18_C{H3}CC{H}=O	Polyene Oxidative Cleavage	0.6410				0			Constant		Undefined	0	0	0	0	0		00
224	Oxidation	0.9990000000	73	5	c{~1}1c{~1}c(O{H})c{~1}c{~1}c1O{H}"~1Pos8;1"	c{~1}1c{~1}c(O{H})c{~1}c{~1}c1O{H}"~1Pos9;1" c1(Enum4)cc(O{H})c{~1}c{~1}c1O{H}"~1Pos10;1" c1ccccc1C{H2}Enum4 c1cccc(C{H2}Enum12)c1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1c(OC{H2}Enum13)cccc1 c{~1}1c{~1}c(O{H})c{~1}c{~1}c1O{H}"~1Pos18;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c(O{H})ccc2O{H}"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO	C{~1}1=C{~1}C(=O)C{~1}=C{~1}C1=O"~1Pos8;1"	Substituted para-Benzenediols oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
225	Oxidation	0.9990000000	65	5	c{~1}1c(O{H})c(O{H})c{~1}c{~1}c{~1}1"~1Pos8;1"	c1c(OC{H2}Enum13)cccc1 c1c(C{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1cccc(C{H2}Enum12)c1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c(O{H})c1O{H}"~1Pos10;1" c1(O{H})c{~1}c{~1}c{~1}c{~1}c1O{H}"~1Pos9;1" O{H}c1c(Enum1)ccc(O{H})c1 c{~1}1c(O{H})c(O{H})c{~1}c{~1}c{~1}1"~1Pos18;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=NC2"~1Pos30;2"	C1OC1 OO C(O{H})(=C)C(=O)C C(=O)(C)C(=O)C\\14,255	C{~1}1C(=O)C(=O)C{~1}=C{~1}C{~1}=1"~1Pos8;1"|14	Substituted ortho-Benzenediols oxidation	0.6364				0			Constant		Undefined	0	0	0	0	0		00
239	Oxidation	0.9990000000	91	10	P(=O)(C{SP3})(OC{SP3})OC{sp3}	-	OO C1CO1	P(=O)(OC{SP3})(OC{SP3})OC{sp3}	Phosphine Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
130	Abiotic	0.9977480000	149	0	C1C(C{H2}{SCY}C{H}{SCY}=C{scy}C{H3})C1|OO{H}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
59	Oxidation	0.9958910000	63	5	c1c(O{H})ccc(N{H}{scy}{sp3})c1	c1c(O{H})ccc(N{H}{V3})c1~Enum1 c{H}1c(N{H2})c{H}c{H}c(O{H})c{H}1 c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	OO{H} C1CO1 C1OOC1	C1C(=O)C=CC(=N{scy}{v3})C=1	Aminophenol Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
212	Abiotic	0.9900000000	0	0	C{H2}1C(C{SP3})=NN(C)C1=O	-	-	C{H}1=C(C{SP3})N{H}N(C)C1=O	Tautomerization	0.0000				0			Constant		Undefined	0	0	0	0	0		00
8	Abiotic	0.9900000000	0	3	C{SCY}(C{H3})=C{SCY}C{H}=C{H}C{SCY}=C{SCY}C{H2}{scy}	-	C1CO1 OO{H} C1OOC1	C{H}{SCY}(C{H3})C{SCY}=C{H}C{H}=C{SCY}C{SCY}=C{H}{scy}|6;18;20	Allylic Rearrangement	1.0000				0			Constant		Undefined	0	0	0	0	0		00
95	Abiotic	0.9900000000	0	2	c1(O{H})ccncc1	c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C1(=O)C=CN{H}C=C1	Tautomerization	0.0000				0			Constant		Undefined	0	0	0	0	0		00
5	Abiotic	0.9900000000	0	2	C{H}(O{H})=C	-	-	C{H}C{H}=O|21	Tautomerization	1.0000				0			Constant		Undefined	0	0	0	0	0		00
66	Oxidation	0.9894230000	181	25	C{H2}C(C{ACY}{SP3})(C{ACY}{H3}{SP3})C{H}=O	C1C(=O)C=CC(=O)C=1_C{ACY}{SP3}C{H}(C{ACY}{SP3})C{acy}{sp3}	OO{H} C1CO1 C1OOC1	C{H2}C(C{ACY}{SP3})(C{H3})OO{H}_C{v2}=O|4	Alkyl Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
86	Abiotic	0.9887380000	178	30	C{H}{SCY}C1(C{H3})C{H2}O1	-	-	C{H}{SCY}C(C{H3})(O{H})C{H2}O{H}	Epoxide Hydration	1.0000				0			Constant		Undefined	0	0	0	0	0		00
4	Abiotic	0.9800000000	0	4	CC{H}(O{H})OO{H}	-	-	CC{H}=O|21_O{H}O{H}	Hydroperoxide Decomposition	1.0000				0			Constant		Undefined	0	0	0	0	0		00
270	Abiotic	0.9800000000	4	0	C{H}(O{H})(OO{H})C{H2}O	-	-	C{H2}=O_C{H2}(O{H})O	Hydroperoxide Decomposition	0.0000				0			Constant		Undefined	0	0	0	0	0		00
168	Abiotic	0.9800000000	209	0	C{sp3}N=NC{sp3}	-	OO  O1CC1	C{SP3}C{SP3}_N#N	Azoalkane Decomposition	1.0000				0			Constant		Undefined	0	0	0	0	0		00
51	Oxidation	0.9724000000	186	20	C{H2}(C{H}=C{H}C{H2}C{H}=C{H}C{H2})C{H}=C{H}C{H2}	-	O{H}OC C1OOC1 C1CO1 C{H}=O R{+}	C{H2}(C{H}=C{H}C{H2}C{H}(OO{H})C{H}=C{H})C{H}=C{H}C{H2}|24	Allylic Hydroperoxide Formation	0.7273				0			Constant		Undefined	0	0	0	0	0		00
50	Oxidation	0.9724000000	177	20	C{H2}(C{H}=C{H}C{H2}C{H}=C{H}C{H2})C{H}=C{H}C{H2}	-	OO{H} C1CO1 C1OOC1 C{H}=O R{+}	C{H2}C{H}=C{H}C{H2}C{H}(OO{H})C{H}=C{H}C{H2}C{H}=C{H}|24	Allylic Hydroperoxide Formation	0.3636				0			Constant		Undefined	0	0	0	0	0		00
157	Oxidation	0.9500000000	203	0	C1(C{AR})C(C{AR})=C(O{H})OC{H}=1	-	-	C1(C{ar})=C(C{ar})C(=O)OC1=O	Hydroxyfuran Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
171	Abiotic	0.9500000000	212	0	CC(C{AR})(OO{H})C(C{AR})=Nc1ccc(Enum6)cc1	-	Enum4 S(=O)(=O)C{sp3} P{v5} P{v3} Enum9	C(C)(C{AR})=O_C(=O)(C{AR})N{H}c1ccc(Enum6)cc1	Ketimine Hydroperoxide Decomposition	1.0000				0			Constant		Undefined	0	0	0	0	0		00
60	Oxidation	0.9500000000	61	5	c{H}1c(N{H2})c{H}c{H}c(O{H})c{H}1	-	C1CO1 OO	C{H}1C(=N{H})C{H}=C{H}C(=O)C{H}=1	Aminophenol Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
61	Abiotic	0.9456430000	82	16	C{sp3}C(C{sp3})(C{sp3})C{H}=O	-	OO{H} C1CO1 C1OOC1	C{sp3}C{H}(C{sp3})C{sp3}|25_C{V2}=O	Decarbonylation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
76	Oxidation	0.9357410000	0	20	C{scy}{scy}(C{scy})=C{scy}{H}C{scy}{H2}C{scy}	C1C(C{H2}{SCY}C{H}{SCY}=C{scy}C{H3})C1 C(C{H2})=CC(=O)O{H} C(=C{H2})(C)C{SCY}C{SCY} C1(C(C)C)C(C)C=CC{H2}1 C{SCY}(C{SCY})=C{H}{SCY}C{H2}{SCY}C{SCY}O{H} C{scy}(C{scy}{H2}C{scy}{H}=C{scy})C{scy}C(=O)O{H} C1=C(C)C=CC{H}(C)C{H2}1 C1C{H2}CN{V3}C=1 C{scy}C(C)(C)C{scy} C1=CCCCC1	C1CO1 OO{H} C1OOC1 C=CC{H}=O R{+}	C{SCY}(C{SCY})=C{H}{SCY}C{H}(C{SCY})OO{H}|4	Allylic Hydroperoxide Formation	0.0000				0			First order		Undefined	0	0	0	0	0		00
97	Oxidation	0.9025430000	121	6	c1cc2c(nc1)OC{H}=C{H}2	-	OO{H} C1CO1 C1OOC1 R{+}	c1cc2c(nc1)OC{H}1C{H}2OO1|12	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
256	Oxidation	0.9000000000	0	5	c1c2c(ccc1)c(Enum21H)ccc2Enum21H	-	OO C1OC1	c1c2c(ccc1)C(=Enum21)C=CC2=Enum21	Para Naphthalene Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
39	Oxidation	0.9000000000	204	0	C{H2}{SCY}O{SCY}C{H2}{SCY}C{H2}{SCY}	Enum1	Enum4 O{H} N{v3} S(=O)(=O)C{sp3} P{v5} P{v3} OO O1CC1 R{+}	C{H2}{SCY}O{SCY}C{H}{SCY}(C{H2}{SCY})OO{H}	Cyclic Ether Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
244	Oxidation	0.9000000000	244	0	C{H}{scy}(C{SP3})O{SCY}C{scy}C{scy}	-	Enum1 Enum4 O{H} N{v3} S(=O)(=O)C{sp3} P{v5} P{v3} OC{sp2} OO O1CC1 R{+}	C{scy}(C{SP3})(O{SCY}C{scy}C{scy})OO{H}	Cyclic Ether Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
181	Oxidation	0.9000000000	220	0	C1C=CNC=1	-	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v5} P{v3} C1C=C(C{H2})NC=1 C1=CC(=Enum19)C=CC1=Enum19 C1(=Enum19)C=CC=CC1=Enum19 R{+}	C1=CC2NC1OO2	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
182	Oxidation	0.9000000000	221	0	C1C=CNC=1	-	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v3} P{v5} C1C=C(C{H2})NC=1 C1=CC(=Enum19)C=CC1=Enum19 C1(=Enum19)C=CC=CC1=Enum19 R{+}	C1C2C(NC=1)OO2	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
196	Oxidation	0.9000000000	233	0	c1c(C(C{H3})(C{H3})C{H3})c(O{H})cc(O{H})c1	c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v3} P{v5} R{+}	C1C(C(C{H3})(C{H3})C{H3})(OO{H})C(O{H})=CC(=O)C=1	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
193	Oxidation	0.9000000000	231	0	c1c2C{H2}C{H2}C(C{SP3})(C{SP3})Oc2ccc1O{H}	-	OO Enum9 Enum4 S(=O)(=O)C{sp3} P{v5} P{v3}	C1=C(C{H2}C{H2}C(C{SP3})(O{H})C{SP3})C(=O)C=CC1=O	Quinone Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
197	Oxidation	0.9000000000	234	0	C1C(O{H})(C(C{H3})(C{H3})C{H3})C(O{H})=CC(=O)C=1	-	-	C1C(=O)C(O{H})=CC(=O)C=1_C{H3}C(C{H3})=C{H2}	Quinone Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
179	Oxidation	0.9000000000	218	0	c1cc2c(cc1)C{H}(OO{H})c1c(C2=Nc2ccc(Enum8)cc2)cccc1	-	Enum1 Enum4 S(=O)(=O)C{sp3} P{v5} P{v3}	c1cc2c(cc1)C(=O)c1c(C2=Nc2ccc(Enum8)cc2)cccc1	Quinone Imine Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
177	Oxidation	0.9000000000	246	0	c1cc2c(cc1)cc1c(c2N{H}c2ccc(Enum8)cc2)cccc1	-	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v5} P{v3} R{+}	c1cc2c(cc1)C(OO{H})c1c(C2=Nc2ccc(Enum8)cc2)cccc1	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
178	Oxidation	0.9000000000	217	0	c1cc2c(cc1)c(-C{ar})c1c(c2N{H2})cccc1	-	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v5} P{v3} R{+}	c1cc2c(cc1)C(-C{ar})(OO{H})c1c(cccc1)C2=N{H}	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
132	Abiotic	0.9000000000	0	0	c1(N{V3}=N{V3}c2c(Enum17)cc(N{H})cc2)ccccc1Enum17	Enum17c1c(N=Nc2c{~2}c{~2}{~1}{@}c{~2}{~1}{@}c{~2}{~1}{@}c{~2}{~1}{@}2)c{~2}c{~2}c(N{H})c{~2}1"~@1Het1;C{>=1},N{>=0}""~2Pos16;3" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	c1(N{H}{V3}N{V3}=C2C(Enum17)=CC(=N)C=C2)ccccc1Enum17	Azo dyes tautomerization	0.0000				0			Constant		Undefined	0	0	0	0	0		00
237	Abiotic	0.9000000000	0	0	c1(N{V3}=N{V3}c2c(Enum17)cc(O{H})cc2)ccccc1Enum17	N{V3}(=N{V3}c1c{~1}c{~1}c(O{H})c{~1}c{~1}1Enum17)c1c{~1}(Enum17)c{~1}c{~1}c{~1}c{~1}1"~1Pos16;4" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	c1(N{H}{V3}N{V3}=C2C(Enum17)=CC(=O)C=C2)ccccc1Enum17	Azo dyes tautomerization	0.0000				0			Constant		Undefined	0	0	0	0	0		00
238	Abiotic	0.9000000000	0	0	c1(N{V3}=N{V3}c2c(Enum17)cc(S{H}{V2})cc2)ccccc1Enum17	N{V3}(=N{V3}c1c{~1}c{~1}c(S{H})c{~1}c{~1}1Enum17)c1c{~1}(Enum17)c{~1}c{~1}c{~1}c{~1}1"~1Pos16;4" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	c1(N{H}{V3}N{V3}=C2C(Enum17)=CC(=S{V2})C=C2)ccccc1Enum17	Azo dyes tautomerization	0.0000				0			Constant		Undefined	0	0	0	0	0		00
190	Abiotic	0.9000000000	228	0	C{ar}C{H}(OO{H})N=NC{ar}	-	-	C{ar}C(=O)O{H}_N#N_C{ar}-H	Phenylhydrazone Hydroperoxide Decomposition	1.0000				0			Constant		Undefined	0	0	0	0	0		00
195	Abiotic	0.9000000000	232	0	C1(C{sp3})C(=O)C(O{H})=CC(=O)C=1	-	OO  Enum4 S(=O)(=O)C{sp3} P{v5} P{v3} Enum1	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
183	Abiotic	0.9000000000	222	0	C1=CC2NC1OO2	-	Enum1 Enum4 P{v3} P{v5} S(=O)(=O)C{SP3} C1C=C(C{H2})NC=1	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
184	Abiotic	0.9000000000	223	0	C1C2C(NC=1)OO2	-	Enum1 Enum4 P{v3} P{v5} S(=O)(=O)C{sp3} C1C=C(C{H2})NC=1	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
65	Abiotic	0.9000000000	84	14	C1(=O)C=C(C{H}C{H}N{H2})C{H}=CC1=O	-	OO{H} C1CO1 C1OOC1	c1(O{H})cc2C{H}C{H}N{H}c2cc1O{H}|5	Cycloaromatization	1.0000				0			Constant		Undefined	0	0	0	0	0		00
167	Oxidation	0.9000000000	157	0	CN{H}N{H}C	-	OO	CN=NC	Hydrozo Compound Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
104	Oxidation	0.8620000000	173	28	C{H}{SCY}=C{SCY}(C{H}{SCY}O{H})C{H}(C{H3})C{H3}	-	OO{H} C1CO1 C1OOC1	C{H}{SCY}=C{SCY}(C{SCY}=O)C{H}(C{H3})C{H3}	Allyl Alcohol Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
160	Oxidation	0.8500000000	206	0	C{H2}=C(Enum4)C{H}=C{H2}	-	R{+}	C{H2}1C(Enum4)(C{H}=C{H2})OO1	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
159	Oxidation	0.8500000000	205	0	C{H2}=C(Enum4)C{H}=C{H2}	-	R{+}	C{H2}1C(Enum4)=C{H}C{H2}OO1	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
170	Oxidation	0.8500000000	211	0	CC{H}(C)C(C)=NC	-	C1CO1 OO R{+}\\67	CC(C)(C(C)=NC)OO{H}	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
149	Oxidation	0.8500000000	0	0	c{~1}1c(N{H2})c{~1}c{~1}c(N(C{H2})C{H2})c{~1}1"~1Pos5;1"	c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	OO C1CO1\\230	C{~1}1C(=N{H})C{~1}=C{~1}C(=N{+}(C{H2})C{H2})C{~1}=1"~1Pos5;1"	Quinonediiminium Species Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
172	Oxidation	0.8500000000	213	0	CC(C)=C(C)N{H}C	C(C(=O)O)=C(C)N	OO R{+}	CC(C)(C(C)=NC)OO{H}	Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
189	Oxidation	0.8500000000	227	0	C{ar}C{H}=NN{H}C{ar}	-	OO Enum9 S(=O)(=O)C{sp3} P{v3} P{v5} R{+}	C{AR}C{H}(N=NC{AR})OO{H}	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
163	Abiotic	0.8500000000	151	0	C{H2}1C(Enum4)(C{H}=C{H2})OO1	-	-	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
162	Abiotic	0.8500000000	208	0	C{H2}1C(Enum4)=C{H}C{H2}OO1	-	-	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
126	Oxidation	0.8500000000	95	19	C1(O{H})(C{H3})C{H}=C2C{H}(C{H2}C{H2}1)C(C)CCC2C	-	OO{H} C1CO1 C1OOC1	C1(=C{H}O{H})C{H}(C{H2}C{H2}C{H2}C{H3})C(C)CCC1C|2	Ring Oxidative Cleavage	1.0000				0			Constant		Undefined	0	0	0	0	0		00
169	Oxidation	0.8500000000	210	0	CN{H}N{H2}	C(=O)(C)N{H}N{H2}	OO C1OC1	C{H}_N#N	Hydrazine Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
56	Oxidation	0.8474280000	109	21	C{H}(=O)C{H2}Enum2	C{H}(=O)C{H2}Enum2_Enum1	OO{H} C1CO1 C1OOC1\\264	C(=O)(O{H})C{H2}Enum2	Aldehyde Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
28	Oxidation	0.8300000000	99	21	c1c(C{H}=O)cccc1	c1c(C{H}=O)cccc1~Enum1 c1c(C{H}=O)cccc1~OC{sp3} c1c(C{H}=O)cccc1~O{H} c1c(C{H}=O)cccc1~N c{H}1c(C{H}=O)c{H}c{H}c{H}c{H}1	OO{H} C1CO1 C1OOC1	c1c(C(=O)O{H})cccc1	Aromatic Aldehyde Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
194	Oxidation	0.8000000000	247	0	c1c(C{SP3})c{H}c(O{H})cc1O{H}	-	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v5} P{v3} R{+}	C1=C(C{SP3})C{H}(OO{H})C(O{H})=CC1=O	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
187	Oxidation	0.8000000000	225	0	c1(Enum10)cc2c(cc1)N{H}C=C2C{SP3}	-	OO Enum9 Enum4 S(=O)(=O)C{sp3} P{v3} P{v5} R{+}	c1(Enum10)cc2c(cc1)N=CC2(C{SP3})OO{H}	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
158	Oxidation	0.8000000000	0	0	c{~1}1c(O{H})c(OO{H})c(O{H})c{~1}c{~1}1"~1Pos25;1"	c{~1}1c(O{H})c(OO{H})c(O{H})c{~1}c1"~1Pos6;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C{~1}1=C(O{H})C(=O)C(=O)C{~1}=C{~1}1"~1Pos25;1"	Quinone Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
236	Oxidation	0.8000000000	0	0	c1c(Enum16)c(C{H2}Enum15)c(N{H}C{SP3})cc1O{H}	c{~1}1c(Enum16)c(C{H2}Enum15)c(N{H}C{SP3})c{~1}c1O{H}"~1Pos14;1" c1cccc(C{H2}Enum12)c1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c{~1}c{~1}1"~1Pos10;1" c{~1}1c{~1}c{~1}c{~1}c{~1}c{~1}1"~1Pos9;1"	-	C1=C(Enum16)C(=C{H}Enum15)C(N{H}C{SP3})=CC1=O	para Quinonemethide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
166	Abiotic	0.8000000000	164	0	C{H2}1C{H}(OC)OO1	-	Enum1 Enum4 O{H} N{v3} S(=O)(=O)C{SP3} P{v5} P{v3}	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
68	Oxidation	0.8000000000	106	6	C(C{SP3})(C{SP3})(OC(C{SP3})(C{sp3})OO{H})OO{H}	-	C1OOC1 C1CO1 R{+}	C1(C{SP3})(C{SP3})OOC(C{SP3})(C{sp3})OO1	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
165	Oxidation	0.8000000000	163	0	C{H2}=C{H}OC	-	Enum1 Enum4 N{v3} S(=O)(=O)C{sp3} P{v5} P{v3} O{H} R{+}	C{H2}1C{H}(OC)OO1	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
207	Oxidation	0.8000000000	0	0	C{H}(=O)C=CC{SP3}C{SP3}C=C	-	C1OOC1 C1CO1 OO{H} C(O{H})CO{H}\\73	C{H}(=O)C=CC{SP3}C{SP3}C1CO1	Epoxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
144	Oxidation	0.8000000000	0	0	C{H}(=O)C=C(Enum15)C{acy}(Enum15)=C{acy}Enum15	-	OO{H} C1CO1 C1OOC1	C{H}(=O)C=C(Enum15)C{acy}1(Enum15)C{acy}(Enum15)O1	Epoxidation	0.1333				0			Constant		Undefined	0	0	0	0	0		00
161	Oxidation	0.7500000000	207	0	C{H2}=C(Enum5)Enum5	-	C1CO1 OO R{+}	C{H2}1C(Enum5)(Enum5)OO1	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
198	Oxidation	0.7500000000	235	0	c1(C{acy}{sp3})c(O{H})c(C{acy}{sp3})cc(C{acy}{sp3})c1	-	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v5} P{v3} R{+}	C1(C{acy}{sp3})C(=O)C(C{acy}{sp3})=CC(C{acy}{sp3})(OO{H})C=1	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
199	Oxidation	0.7500000000	236	0	c1(C{SP3})c(O{H})c(C{SP3})cc{H}c1	-	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v3} P{v5} R{+}	C1(C{SP3})C(=O)C(C{SP3})=CC{H}(OO{H})C=1	Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
164	Abiotic	0.7500000000	159	0	C{H2}1C(Enum5)(Enum5)OO1	-	-	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
174	Oxidation	0.7500000000	214	0	C{H}{SCY}=C{H}{SCY}C{H}{SCY}=C{H}{SCY}	-	OO{H} O{H} N C(=O)C=O R{+}	C{H}{SCY}1C{H}{SCY}=C{H}{SCY}C{H}{SCY}OO1	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
106	Abiotic	0.7500000000	112	24	C{H}=C{H}C{H2}C{H}(OO{H})C{H}=C{H}C{H2}	C{H}=C{H}C{H2}C{H2}C(=O)OC{H3} C{H}=C{H}C{H2}C(=O)OC{H3}	C1CO1 C1OOC1	C{H}=C{H}C{H2}C{H}=O_C{H}=C{H}C{H}=O	Hydroperoxide Oxidative Decomposition	0.8000				0			Constant		Undefined	0	0	0	0	0		00
105	Oxidation	0.7500000000	111	24	C{H}=C{H}C{H}(OO{H})C{H2}C{H}=C{H}C{H2}	C{H}=C{H}C{H}(OO{H})C{H2}C{H}=C{H}C{H2}_C{H}=C{H}C{H2}C{H2}C(=O)OC{H3} C{H}=C{H}C{H2}C{H2}C(=O)OC{H3} C{H}=C{H}C{H2}C(=O)OC{H3}	C1OOC1 C1CO1	C{H}=C{H}C{H}=O_C{H2}C{H}(O{H})C{H}=C{H2}	Hydroperoxide Oxidative Rearrangement	0.2500				0			Constant		Undefined	0	0	0	0	0		00
255	Oxidation	0.7000000000	0	5	c1c2c(ccc1)cc(Enum21H)c(Enum21H)c2	-	OO C1OC1	C1C2C(C=CC=1)=CC(=Enum21)C(=Enum21)C=2	Ortho Naphthalene Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
64	Oxidation	0.7000000000	0	0	c{~1}1c{~1}c(O{H})c(O{H})c(O{H})c{~1}1"~1Pos18;1"	c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=NC2"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1OC1 OO	C{~1}1=C{~1}C(=O)C(=O)C(O{H})=C{~1}1"~1Pos18;1"	Substituted ortho-Benzenediols oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
209	Oxidation	0.7000000000	0	0	c{~1}1c(N{H2})c{~1}c{~1}c(N{SCY}(C{H2}{SCY})C{H2}{SCY})n1"~1Pos5;1"	c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1OC1 OO	C{~1}1C(=N{H})C{~1}=C{~1}C(=N{SCY}{+}(C{H2}{SCY})C{H2}{SCY})N=1"~1Pos5;1"	Quinonediiminium Species Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
226	Oxidation	0.7000000000	0	0	c{~1}1c{~1}c(N{H}{acy}Enum14)c{~1}c{~1}c1O{H}"~1Pos8;1"	c1c(C{H2}Enum13)cccc1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1cccc(C{H2}Enum12)c1 c1ccccc1C{H2}Enum4 c{~1}1c{~1}c(Enum14)c{~1}c{~1}c1O{H}"~1Pos9;1" c1(Enum4)cc(Enum14)c{~1}c{~1}c1O{H}"~1Pos10;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO\\240	C{~1}1=C{~1}C(=N{acy}Enum14)C{~1}=C{~1}C1=O"~1Pos8;1"	Substituted para-Phenilenediamines oxidation	0.8750				0			Constant		Undefined	0	0	0	0	0		00
188	Oxidation	0.7000000000	226	0	C{acy}C(C{acy})=NN{H}C{AR}	-	OO Enum9 R{+} S(=O)(=O)C{sp3} P{v3} P{v5}	C{acy}C(C{acy})(N=NC{AR})OO{H}	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
185	Oxidation	0.7000000000	224	0	C1C=C(C{H2})NC=1	C{~1}1C{~1}=C(C{H2})N{~1}C{~1}=1"~1Pos3;1"	OO Enum9 Enum4 S(=O)(=O)C{sp3} P{v5} P{v3}	C1C=C(C=O)NC=1	Alkyl Group Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
242	Oxidation	0.7000000000	0	0	c12C(=O)c3c(C(=O)c1ccc(O{H})c2O{H})cccc3	c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	C1CO1 OO	C12C(=O)c3c(C(=O)C=1C=CC(=O)C2=O)cccc3	Anthraquinone dyes oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
216	Oxidation	0.7000000000	0	0	c{~1}1c(O{H})c{H}c(N{H}Enum14)c{~1}c{~1}1"~1Pos7;1"	-	c{~1}1c(O{H})c{H}c(N{H2})c{~1}c1"~1Pos6;1" C1CO1 OO R{+}	c{~1}1c(O{H})c(OO{H})c(N{H}Enum14)c{~1}c{~1}1"~1Pos7;1"	m-Aminophenols oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
243	Oxidation	0.7000000000	0	0	c{~1}1c(O{H})c(OO{H})c(N{H}Enum14)c{~1}c{~1}1"~1Pos7;1"	c{~1}1c(O{H})c(OO{H})c(N{H2})c{~1}c1"~1Pos6;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C{~1}1C(=O)C(=O)C(N{H}Enum14)=C{~1}C{~1}=1"~1Pos7;1"	Quinone Imine Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
53	Oxidation	0.7000000000	0	0	c1(C{H2}Enum15)c(Enum16)cc(N{H}C{SP3})cc1O{H}	c1(C{H2}Enum15)c(Enum16)c{~1}c(N{H}C{SP3})c{~1}c1O{H}"~1Pos14;1" c1cccc(C{H2}Enum12)c1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c{~1}c{~1}1"~1Pos10;1" c{~1}1c{~1}c{~1}c{~1}c{~1}c{~1}1"~1Pos9;1"	OO C1CO1	C1(=C{H}Enum15)C(Enum16)=CC(=NC{SP3})C=C1O{H}	Alkylated meta-Aminophenols oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
235	Oxidation	0.7000000000	0	0	c1c(Enum16)cc(N{H}C{SP3})c(C{H2}Enum15)c1O{H}	c{~1}1c(Enum16)c{~1}c(N{H}C{SP3})c(C{H2}Enum15)c1O{H}"~1Pos14;1" c1cccc(C{H2}Enum12)c1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c{~1}c{~1}1"~1Pos10;1" c{~1}1c{~1}c{~1}c{~1}c{~1}c{~1}1"~1Pos9;1"	C1CO1 OO	C1=C(Enum16)C=C(N{H}C{SP3})C(=C{H}Enum15)C1=O	Alkylated meta-Aminophenols oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
200	Oxidation	0.7000000000	237	0	c1(C{SP3})c(O{H})c(C{SP3})cc{H}c1	c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	Oligomer	Oxidative Dimer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
186	Abiotic	0.7000000000	224	0	C1(C=O)=CC=CN1	-	OO Enum9 Enum4 S(=O)(=O)C{sp3} P{v3} P{v5}	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
173	Oxidation	0.7000000000	245	0	C{H}{SCY}=C{H}{SCY}C{H2}{SCY}	-	OO R{+}\\76	C{H}{SCY}=C{H}{SCY}C{H}{SCY}OO{H}	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
201	Abiotic	0.7000000000	238	0	C1(C{sp3})C(=O)C(C{sp3})=CC(C{sp3})(OO{H})C=1	-	-	C1(C{SP3})C(=O)C(C{SP3})=CC(C{SP3})(O{H})C=1	Hydroperoxide Decomposition	1.0000				0			Constant		Undefined	0	0	0	0	0		00
247	Oxidation	0.7000000000	0	0	C1CCCC2C1CC{H2}c1c2c{H}c{H}c(C{acy}{sp3})c{H}1	-	OO C1CO1 R{+}	C1CCCC2C1CC{H}(OO{H})c1c2c{H}c{H}c(C{ACY}{SP3})c{H}1	Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
261	Oxidation	0.7000000000	0	0	c1c(O{H})ccc(C{H}=C{H}C{H2})c1	c{~1}1c(O{H})c{~1}c{~1}c(C{H}=C{H}C{H})c{~1}1"~1Pos21;1" c{~1}1c(O{H})c{~1}c{~1}c(C{H}=C{H}C{H2})c{~1}1"~1Pos20;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	OO	C1C(=O)C=CC(=C{H}C{H}=C{H})C=1	Quinone Methide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
227	Oxidation	0.6500000000	0	0	c{~1}1c(O{H})c(N{H}Enum14)c{~1}c{~1}c{~1}1"~1Pos8;1"	c1c(C{H2}Enum13)cccc1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1cccc(C{H2}Enum12)c1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c(Enum14)c1O{H}"~1Pos10;1" c1(O{H})c{~1}c{~1}c{~1}c{~1}c1Enum14"~1Pos9;1" C{SCY}(=Enum21)(C{SCY})C{SCY}(C{SCY})=Enum21 c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=NC2"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO\\14,210	C{~1}1C(=O)C(=NEnum14)C{~1}=C{~1}C{~1}=1"~1Pos8;1"	Substituted ortho-Phenilenediamines oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
228	Oxidation	0.6500000000	0	0	c{~1}1c(O{H})c(N(C)C)c{~1}c{~1}c{~1}1"~1Pos8;1"	c1c(C{H2}Enum13)cccc1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1cccc(C{H2}Enum12)c1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c(N{v3}(C)C)c1O{H}"~1Pos10;1" c1(O{H})c{~1}c{~1}c{~1}c{~1}c1N{v3}(C)C"~1Pos9;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=NC2"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO	C{~1}1C(=O)C(=N{+}(C)C)C{~1}=C{~1}C{~1}=1"~1Pos8;1"	Substituted ortho-Phenilenediamines oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
204	Oxidation	0.6500000000	241	0	c1c(O{H})ccc(C{H}(Enum14)C{H}=C{H})c1	c{~1}1c(O{H})c{~1}c{~1}c(C{H}C{H}=C{H})c{~1}1"~1Pos21;1" c{~1}1c(O{H})c{~1}c{~1}c(C{H}C{H}=C{H})c{~1}1"~1Pos20;1" S(=O)(=O)C{sp3} P{v3} P{v5} c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	OO	C1C(=O)C=CC(=C(Enum14)C{H}=C{H})C=1	Quinone Methide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
214	Oxidation	0.6500000000	0	0	c{~1}1c(N{H2})c{H}c(N{H})c{~1}c{~1}1"~1Pos7;1"	c{~1}1c(N{H2})c{H}c(N{H})c{~1}c1"~1Pos6;1"	C1CO1 OO R{+}	c{~1}1c(N{H2})c(OO{H})c(N{H})c{~1}c{~1}1"~1Pos7;1"	m-Phenylene Diamine oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
44	Oxidation	0.6500000000	0	0	c{~1}1c(N{H})c(OO{H})c(N{H2})c{~1}c{~1}1"~1Pos7;1"	c{~1}1c(N{H})c(OO{H})c(N{H2})c{~1}c1"~1Pos6;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C{~1}1=C(N{H})C(=O)C(=N{H})C{~1}=C{~1}1"~1Pos7;1"	Quinone Diimine Formation	0.5385				0			Constant		Undefined	0	0	0	0	0		00
175	Oxidation	0.6500000000	215	0	C(Enum7)(Enum7)=C(Enum7)Enum7	-	C1CO1 OO R{+}	C1(Enum7)(Enum7)C(Enum7)(Enum7)OO1	Peroxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
69	Oxidation	0.6500000000	113	27	O(Enum2)C{H2}C{H2}OC{H2}C{H}=O	-	OO{H} C1CO1 C1OOC1	O(Enum2)C{H2}C{H}=O|27_C{H3}C{H}=O	Polyoxyethylenealdehyde Oxidative Degradation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
112	Oxidation	0.6500000000	114	26	C{SP3}C(C{SP3})(OO{H})OC{H}(C{SP3})C{SP3}	-	C1CO1 C1OOC1 R{+}	C{SP3}C(C{SP3})(OO{H})OC(C{SP3})(C{SP3})OO{H}|6	Ether Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
118	Abiotic	0.6500000000	118	27	O(C{H2})C{H}OO{H}	-	C1CO1 C1OOC1	C{H}=O_C{H}=O	Polyoxyethylene Hydroperoxide Degradation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
257	Oxidation	0.6000000000	0	0	C1(Enum21H)*C*C*C(OC)*C*C{H}*1	c1(N{H}{SCY})ccc(OC)cc{H}1 C1(N{H}C{sp2})*C*C*C(OC)*C*C{H}*1 C1(Enum21H)*C*C*C(OC{AR})*C*C{H}*1 c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1cccc2"~@1Het1;C,N{>=0}" C1(Enum21)*C{~1}*C{~1}*C{~1}(OC)*C{~1}*C{H}*1"~1Acceptors;1s"	OO C1OC1 R{+}	c1(Enum21H)ccc(OC)cc1OO{H}	Perhydroxylation	0.6667				0			Constant		Undefined	0	0	0	0	0		00
258	Oxidation	0.6000000000	0	0	c1(Enum21H)ccc(OC)cc1OO{H}	c1(N{H}Enum23)ccc(OC)cc1OO{H} c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1cccc2"~@1Het1;C,N{>=0}"	-	C1(=Enum21)C=CC(OC)=CC1=O	Quinone Formation	0.2500				0			Constant		Undefined	0	0	0	0	0		00
245	Oxidation	0.6000000000	0	0	C1C(=Enum21)C(=Enum21)c2c(Enum21H)c(Enum21H)ccc2C=1	C1C(=Enum21)C(=Enum21)c2c{~1}{@}c{~1}{@}c3c(c2C=1)c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}3"~@1Het1;C,N{>=0}"	C1OC1 OO	C1=C(Enum21H)C(=Enum21)C2=C(Enum21H)C(=Enum21)C=CC2=C1	Naphthalene Diamine Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
27	Oxidation	0.6000000000	0	0	c{~1}1c{~1}c(N{V3}(C)C)c{~1}c{~1}c1O{H}"~1Pos8;1"	c1c(C{H2}Enum13)cccc1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1cccc(C{H2}Enum12)c1 c1ccccc1C{H2}Enum4 c{~1}1c{~1}c(N(C)C)c{~1}c{~1}c1O{H}"~1Pos9;1" c1(Enum4)cc(N{V3}(C)C)c{~1}c{~1}c1O{H}"~1Pos10;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	-	C{~1}1=C{~1}C(=N{+}(C)C)C{~1}=C{~1}C1=O"~1Pos8;1"	Substituted para-Phenilenediamines oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
211	Oxidation	0.6000000000	0	0	C{SCY}(N{H}[V1]Enum11)(=C{SCY}N{H}[V1]Enum11)N{SCY}[V1]Enum11	-	-	C{SCY}(=N[V1]Enum11)(C{SCY}=N[V1]Enum11)N{SCY}[V1]Enum11	Heterocyclic Diamine Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
240	Oxidation	0.6000000000	0	0	c12c(cccc1)C(=O)c1c(C2=O)c(Enum18H)cc{H}c1Enum18H	c12c(c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}1)C(=O)c1c(C2=O)c(Enum18)c2c(c1Enum18)c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	C1CO1 OO	c12c(cccc1)C(=O)C1=C(C2=O)C(=Enum18)C=C{H}C1=Enum18	Anthraquinone dyes oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
220	Oxidation	0.6000000000	0	0	c{~1}1c(N{H}C)c{H}c(N{H}C)c{~1}c{~1}1"~1Pos7;1"	c{~1}1c(N{H}C)c{H}c(N{H}C)c{~1}c1"~1Pos6;1" c{~1}{~2}1c(N{H}C)c{H}c(N{H}C)c{~1}{~2}c{~1}{~2}1"~1Pos21;1""~2Pos20;1"	C1CO1 OO R{+}	c{~1}1c(N{H}C)c(OO{H})c(N{H}C)c{~1}c{~1}1"~1Pos7;1"	Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
218	Oxidation	0.6000000000	0	0	c{~1}1c(N{H2})c(OO{H})c(N{H}C{SP3})c{~1}c{~1}1"~1Pos7;1"	c{~1}1c(N{H2})c(OO{H})c(N{H}C{SP3})c{~1}c1"~1Pos6;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C{~1}1=C(N{H2})C(=O)C(=NC{SP3})C{~1}=C{~1}1"~1Pos7;1"	Quinone Diimine Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
221	Oxidation	0.6000000000	0	0	c{~1}1c(N{H}C{sp3})c(OO{H})c(N{H}C{sp3})c{~1}c{~1}1"~1Pos7;1"	c{~1}1c(N{H}C{SP3})c(OO{H})c(N{H}C{SP3})c{~1}c1"~1Pos6;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C{~1}1C(=NC{SP3})C(=O)C(N{H}C{SP3})=C{~1}C{~1}=1"~1Pos7;1"	Quinone Diimine Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
222	Oxidation	0.6000000000	0	0	c{~1}1c(N{H}C{ar})c(OO{H})c(N{H}C{SP3})c{~1}c{~1}1"~1Pos7;1"	c{~1}1c(N{H}C{AR})c(OO{H})c(N{H}C{SP3})c{~1}c1"~1Pos6;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C{~1}1=C(N{H}C{AR})C(=O)C(=NC{SP3})C{~1}=C{~1}1"~1Pos7;1"	Quinone Diimine Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
223	Oxidation	0.6000000000	0	0	c{~1}1c(N{H}C{AR})c(OO{H})c(N{H}C{ar})c{~1}c{~1}1"~1Pos7;1"	c{~1}1c(N{H}C{AR})c(OO{H})c(N{H}C{AR})c{~1}c1"~1Pos6;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C{~1}1=C(N{H}C{AR})C(=O)C(=NC{SP3})C{~1}=C{~1}1"~1Pos7;1"	Quinone Diimine Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
91	Abiotic	0.5500000000	122	31	C12(C{H3})C(C{H2}C{H}(O{H})C{H2}C{H2}1)OO2	-	C1CO1 OO{H}	C(=O)C{H2}C{H}1OC(C{H3})(O{H})C{H2}C{H2}1	Peroxide Cycloisomerization	1.0000				0			Constant		Undefined	0	0	0	0	0		00
62	Oxidation	0.5203590000	104	22	C{sp3}C(C{sp3})(C{sp3})C{H}=O	-	OO{H} C1CO1 C1OOC1	C{SP3}C(C{SP3})(C{SP3})OC{H}=O	Bayer-Villiger Oxidation	0.7500				0			Constant		Undefined	0	0	0	0	0		00
253	Oxidation	0.5000000000	0	0	c1c(C{H2}C{H}=C{acy})cccc1	-	OO{H} C1OOC1 C1CO1 R{+}	c1c(C{H}(C{H}=C{acy})OO{H})cccc1	Benzylic/ Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
192	Oxidation	0.5000000000	230	0	C{H2}{acy}C{acy}(C{H3})=C{H}{acy}C{H2}{acy}C{H}{acy}=C{acy}C{H3}	-	OO Enum1 Enum4 O{H} N{v3} S(=O)(=O)C{sp3} P{v3} P{v5} OC{sp3}	C{ACY}{H2}C{ACY}(C{H3})(O{H})C{ACY}{H}=C{ACY}{H}C{ACY}{H}=C{ACY}C{H3}	Oxidative Rearrangement	1.0000				0			Constant		Undefined	0	0	0	0	0		00
229	Oxidation	0.5000000000	0	0	c{~1}1c{~1}c(N{H}{v3}Enum14)c{~1}c{~1}c1N{H}{v3}Enum14"~1Pos8;1"	c1c(C{H2}Enum13)cccc1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1cccc(C{H2}Enum12)c1 c1ccccc1C{H2}Enum4 c{~1}1c{~1}c(Enum14)c{~1}c{~1}c1Enum14"~1Pos9;1" c1(Enum4)cc(Enum14)c{~1}c{~1}c1Enum14"~1Pos10;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO	C{~1}1=C{~1}C(=NEnum14)C{~1}=C{~1}C1=NEnum14"~1Pos8;1"	Substituted para-Phenilenediamines oxidation	0.9286				0			Constant		Undefined	0	0	0	0	0		00
230	Oxidation	0.5000000000	0	0	c{~1}1c{~1}c(N{sp3}(C)C)c{~1}c{~1}c1N{H}Enum14"~1Pos8;1"	c1cccc(C{H2}Enum12)c1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1ccccc1C{H2}Enum4 c{~1}1c{~1}c(N{v3}(C)C)c{~1}c{~1}c1Enum14"~1Pos9;1" c1(Enum4)cc(N(C)C)c{~1}c{~1}c1Enum14"~1Pos10;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO	C{~1}1=C{~1}C(=N{+}(C)C)C{~1}=C{~1}C1=N{sp2}Enum14"~1Pos8;1"	Substituted para-Phenilenediamines oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
231	Oxidation	0.5000000000	0	0	c{~1}1c{~1}c(N{V3}(C)C)c{~1}c{~1}c1N{V3}(C)C"~1Pos8;1"	c1cccc(C{H2}Enum12)c1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1ccccc1C{H2}Enum4 c{~1}1c{~1}c(N{V3}(C)C)c{~1}c{~1}c1N{v3}(C)C"~1Pos9;1" c1(Enum4)cc(N(C)C)c{~1}c{~1}c1N(C)C"~1Pos10;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=CEnum192"~1Pos30;2" c{~1}1cc{~1}2c{~1}(cc{~1}1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO	C{~1}1=C{~1}C(=N{+}(C)C)C{~1}=C{~1}C1=N{+}(C)C"~1Pos8;1"	Substituted para-Phenilenediamines oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
75	Abiotic	0.5000000000	243	0	C{H}(=C{H}c1ccc(O{H})cc1)c{~1}1c{~1}c(O{H})c{~1}c{~1}c1"~1Pos1;1"	-	OO Enum1 S(=O)(=O)C{sp3} P{v5} P{v3}	C{H}(=O)c{~1}1c{~1}c(O{H})c{~1}c{~1}c1"~1Pos1;1"_O=C{H}c1ccc(O{H})cc1	Oxidative Decomposition	1.0000				0			Constant		Undefined	0	0	0	0	0		00
249	Abiotic	0.5000000000	0	0	C1CCCC2C1CC{H}(OO{H})c1c2c{H}c{H}c(C{ACY}{SP3})c{H}1	-	-	C1CCCC2C1CC{H}(O{H})c1c2c{H}c{H}c(C{ACY}{SP3})c{H}1	Hydroperoxide Decomposition	0.0000				0			Constant		Undefined	0	0	0	0	0		00
248	Oxidation	0.5000000000	0	0	C1CCCC2C1CC{H}(O{H})c1c2c{H}c{H}c(C{ACY}{SP3})c{H}1	-	-	C1CCCC2C1CC(=O)c1c2c{H}c{H}c(C{ACY}{SP3})c{H}1	Benzyl Alcohol Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
134	Abiotic	0.4941880000	153	0	C{ACY}{SP3}C{H}=C(C{H3})C{H3}_C{H2}=CC{H}=C	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
6	Abiotic	0.4835340000	145	0	C{SCY}C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}C{SCY}_C{H2}=CC{H3}|OO{H}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
176	Oxidation	0.4569150000	20	20	C{SP3}C{H}=C{H}C{H2}C{H}=C{H}C{sp3}	-	O(O{H})C C1CO1 C1OOC1 C{H}=O R{+}	C{SP3}C{H}(OO{H})C{H}=C{H}C{H}=C{H}C{sp3}|24	Allylic Hydroperoxide Formation	0.5417				0			Constant		Undefined	0	0	0	0	0		00
156	Abiotic	0.4511880000	0	0	C(=O)(O{H})c1c(O{H})cccc1O{H}	-	-	c1(O{H})c{H}c(O{H})ccc1_O=C=O	Decarboxylation	1.0000				0			First order		Undefined	0	0	0	0	0		00
259	Oxidation	0.4500000000	0	0	c1(Enum21H)cccc(O{ACY}C)c{H}1	c{~2}1c{~2}{~1}c{~2}{~1}c{~2}{~1}c{~2}c{H}1"~1Pos21;1""~2Pos20;1" c1(N{H}{SCY})ccccc{H}1  c1(Enum21H)cccc(O{ACY}C{AR})c{H}1 c1(N{H}{sp3}Enum29)ccccc{H}1 c1(Enum21H)cc(Enum21H)cc(O{ACY}C(C{SCY}{SP3})O{SCY}{SP3})c{H}1	OO C1OC1 R{+}	c1(Enum21H)cccc(O{acy}C)c1OO{H}	Perhydroxylation	0.6667				0			Constant		Undefined	0	0	0	0	0		00
260	Oxidation	0.4500000000	0	0	c1(Enum21H)cccc(OC)c1OO{H}	c1(N{H}{SP3}Enum29)ccccc1 c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}"	-	C1(=Enum21)C=CC=C(OC)C1=O	Quinone Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
154	Oxidation	0.4226170000	199	7	C{ACY}{SP3}C{H}=C(C{H3})C{H3}	C{ACY}{SP3}C{H}=C(C{H3})C{H3}_C(=CC=C)C=C C{ACY}{SP3}C{H}=C(C{H3})C{H3}_C(=O)O{H} C{ACY}{SP3}C{H}=C(C{H3})C{H3}_C(C{H3})=CCO{H} C(C)(O)(C=C)CC CCC(C)=C	OO{H} C1CO1 C1OOC1	C{ACY}{SP3}C{H}1C(C{H3})(C{H3})O1|30	Epoxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
180	Oxidation	0.4000000000	219	0	C{AR}C{H2}C{H2}O{H}	-	OO Enum1 Enum4 S(=O)(=O)C{sp3} P{v3} P{v5}	C{AR}C{H2}C{H}=O	Alkcohol Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
232	Oxidation	0.4000000000	0	0	c{~1}1c(N{H}Enum14)c(N{H}Enum14)c{~1}c{~1}c{~1}1"~1Pos8;1"	c1cccc(C{H2}Enum12)c1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c(Enum14)c1Enum14"~1Pos10;1" c1(Enum14)c{~1}c{~1}c{~1}c{~1}c1Enum14"~1Pos9;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=NC2"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO\\14	C{~1}1C(=NEnum14)C(=NEnum14)C{~1}=C{~1}C{~1}=1"~1Pos8;1"	Substituted ortho-Phenilenediamines oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
233	Oxidation	0.4000000000	0	0	c{~1}1c(C{H}{SP3})c(N(C)C)c{~1}c{~1}c{~1}1"~1Pos8;1"	c1cccc(C{H2}Enum12)c1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c(N(C)C)c1Enum14"~1Pos10;1" c1(Enum14)c{~1}c{~1}c{~1}c{~1}c1N(C)C"~1Pos9;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=NC2"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	OO C1CO1	C{~1}1C(=C)C(=N{+}(C)C)C{~1}=C{~1}C{~1}=1"~1Pos8;1"	Substituted ortho-Phenilenediamines oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
262	Abiotic	0.4000000000	0	0	C=NN{acy}=C(Enum24)Enum24	-	C1CO1 OO	C=NN{ACY}{H2}_O=C(Enum24)Enum24	Azomethine hydrolysis	1.0000				0			Constant		Undefined	0	0	0	0	0		00
191	Oxidation	0.4000000000	229	0	C{ar}C{H}(C{sp3})C{sp3}	O{H} C{SCY}{SP3}C{H3} N{v3}	Enum4 S(=O)(=O)C{sp3} OC{sp3} P{v5} P{v3} Enum1 R{+}	C{AR}C(C{SP3})(C{SP3})OO{H}	Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
234	Oxidation	0.4000000000	0	0	c{~1}1c(N(C)C)c(N(C)C)c{~1}c{~1}c{~1}1"~1Pos8;1"	c1cccc(C{H2}Enum12)c1 c1c(OC{H2}Enum13)cccc1 c1cccc(OC{H2}Enum12)c1 c1c(C{H2}Enum13)cccc1 c1ccccc1C{H2}Enum4 c1(Enum4)c{~1}c{~1}c{~1}c(N(C)C)c1N(C)C"~1Pos10;1" c1c{~1}c{~1}c{~1}c{~1}c1"~1Pos9;1" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1cc{~1}2c{~1}(cc{~1}1)C=NC2"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO	C{~1}1C(=N{+}(C)C)C(=N{+}(C)C)C{~1}=C{~1}C{~1}=1"~1Pos8;1"	Substituted ortho-Phenilenediamines oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
203	Abiotic	0.4000000000	240	0	C{~1}1C(=O)C(=O)C{~1}=C{~1}C{~1}=1"~1Pos1;1"	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
205	Abiotic	0.4000000000	242	0	C1C(=O)C=CC(=C{H}C{H}=C)C=1	-	OO Enum9 Enum4 S(=O)(=O)C{sp3} P{v3} P{v5}	Oligomer	Oligomer Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
268	Abiotic	0.4000000000	0	0	O(C{H2}C{H2}O)C{H}(C{H2}C{SP3})OO{H}	-	C1CO1 C1OOC1	O=C{H}C{H2}O_C{H2}=O_C{H2}(C{SP3})O{H}	Hydroperoxide decomposition with formaldehyde releaser	1.0000				0			Constant		Undefined	0	0	0	0	0		00
102	Oxidation	0.3980000000	132	20	C{H}{SCY}=C{SCY}(C{H2}{SCY})C{H}(C{H3})C{H3}	-	OO{H} C1CO1 C1OOC1 R{+}	C{H}{SCY}=C{SCY}(C{H2}{SCY})C(C{H3})(C{H3})OO{H}|4;7	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
103	Oxidation	0.3980000000	133	20	C{H}{SCY}=C{SCY}(C{H2}{SCY})C{H}(C{H3})C{H3}	-	C1CO1 OO{H} C1OOC1 R{+}	C{H}{SCY}=C{SCY}(C{H}{SCY}OO{H})C{H}(C{H3})C{H3}|4	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
36	Oxidation	0.3980000000	134	20	C{H2}=C(C{H3})C{H2}C{acy}{sp3}	-	OO{H} C1CO1 C1OOC1 R{+}\\45	C{H2}=C(C{H3})C{H}(C{ACY}{SP3})OO{H}	Allylic Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
46	Oxidation	0.3980000000	125	20	C{SCY}C{SCY}(C{SCY})=C{H}{SCY}C{H}{SCY}(C{H3})C{scy}	-	OO{H} C1CO1 C1OOC1 R{+}	C{SCY}C{SCY}(C{SCY})=C{H}{SCY}C{SCY}(C{H3})(C{SCY})OO{H}|4	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
42	Oxidation	0.3980000000	123	20	C{C{H}(C{H3})C{H}=C{H}	-	OO{H} C1CO1 C1OOC1 R{+}\\30,34	CC(C{H3})(C{H}=C{H})OO{H}	Allylic Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
37	Oxidation	0.3980000000	129	20	C{H2}(O{H})C{H}=C(C{acy}{sp3})C{H3}	C=CC{H2}O{H}_C=C(C{H3})C{H3} C{H3}C=C{H}C{H2}O{H}_C{H}=C{H}C{H}(C{H3})C{H3}	OO{H} C1CO1 C1OOC1 R{+}	C{H}(O{H})(C{H}=C(C{ACY}{SP3})C{H3})OO{H}	Allylic Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
32	Oxidation	0.3980000000	130	20	C{H}{SCY}=C{H}{SCY}C{H}(C{H3})C{scy}{sp3}	-	OO{H} C1CO1 C1OOC1 R{+}\\30	C{H}{SCY}=C{H}{SCY}C(C{H3})(C{SCY}{SP3})OO{H}	Allylic Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
43	Oxidation	0.3980000000	124	20	C{SCY}C{H}(C{H3})C{SCY}(C{SCY})=C{H}	-	OO{H} C1CO1 C1OOC1 R{+}\\30	C{SCY}C(C{H3})(C{SCY}(C{SCY})=C{H})OO{H}	Allylic Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
40	Oxidation	0.3775140000	135	20	C{H2}=C{SCY}(C{SCY})C{H2}C{scy}	C{H2}=C{SCY}(C{SCY})C{H2}C{SCY}_C{scy}(C{H3})C{H}=O	C1CO1 OO{H} C1CO1 C{H}(=O)O O{H}_O{H} R{+}	C{H2}=C{SCY}(C{SCY})C{H}(C{SCY})OO{H}|4	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
79	Oxidation	0.3759750000	172	28	C{SCY}C{H}(O{H})C(C{H3})=C{scy}{H}	C{SCY}C{SCY}(C{SP3})=C{H}{SCY}C{H}{SCY}(O{H})C{scy}	OO{H} C1CO1 C1OOC1	C{SCY}C(=O)C(C{H3})=C{H}{SCY}	Allyl Alcohol Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
71	Oxidation	0.3652480000	190	7	C{SCY}C{H2}C{SCY}(C{H3})=C{scy}	C{SCY}C{H2}C{SCY}(C{H3})=C{SCY}_C(=O)O{H} C{SCY}C{H2}C{SCY}(C{H3})=C{SCY}C=O C{SCY}C{H2}C{SCY}(C{H3})=C{SCY}C{scy}O{H}	C1CO1 C1COO1 OO{H} C{H3}C(C{H3})=C(C{scy})C{scy} C{H3}C(=C{H2})C(C{SCY})C{SCY}	C{SCY}C{H2}C{SCY}1(C{H3})C{scy}O1	Epoxidation	0.7143				0			Constant		Undefined	0	0	0	0	0		00
85	Abiotic	0.3644210000	179	30	C{H2}C{H}1OC1(C{H3})C{H3}	C(O{H})CO{H}	-	C{H2}C{H}(O{H})C(C{H3})(C{H3})O{H}	Epoxide Hydration	0.7500				0			Constant		Undefined	0	0	0	0	0		00
12	Abiotic	0.3331350000	0	3	C{SCY}C{H}{SCY}(C{SCY})C{H}{SCY}=C{SCY}C{H3}	C(=O)C(C{H3})=C{H}C{H}	C1CO1 OO{H} C1OOC1	C{SCY}C{SCY}(C{SCY})=C{H}{SCY}C{H}{SCY}C{H3}|7;20	Allylic Rearrangement	1.0000				0			First order		Undefined	0	0	0	0	0		00
99	Oxidation	0.3221620000	143	10	C{scy}{H2}N{scy}(C{scy}{H})C{H3}	-	OO{H} C1CO1 C1OOC1	C{H2}{SCY}N{SCY}(C{H}{SCY})(C{H3})=O	N-Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
57	Oxidation	0.3157450000	100	21	c1c(C{H}=O)cccc1~O	-	OO{H} C1CO1 C1OOC1	c1c(C(=O)O{H})cccc1~O	Aromatic Aldehyde Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
1	Abiotic	0.3000000000	0	1	C=N{H}	C1(=N)C(Nc2ccc(N)cc2)C=C(N)C=C1	-	C=O_N{H3}	Imine Hydrolysis	0.9310				0			First order		Undefined	0	0	0	0	0		00
80	Oxidation	0.3000000000	191	28	C(Enum25)(C)=C{H}C{H2}O{H}	C(C{H3})=C{H}C{H2}O{H}_C{H}=C{H}C{H}(C{H3})C{H3}	OO{H} C1CO1 C1OOC1	C(Enum25)(C)=C{H}C{H}=O	Allyl Alcohol Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
78	Oxidation	0.3000000000	166	7	C{acy}C(C{H3})=C{H}C{H2}O{H}	C(C{H3})=C{H}C{H2}O{H}_C{H}=C{H}C{H}(C{H3})C{H3}	OO{H} C1CO1 C1OOC1	C{acy}C1(C{H3})C{H}(C{H2}O{H})O1	Epoxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
269	Oxidation	0.3000000000	0	0	C{H2}C=C_COP(=O)(OC)OC	C{H}(O)C=C	C1OOC1 C1CO1 OO{H}	C{H}(C=C)OO{H}_COP(=O)(OC)OC	Hydroperoxide Formation	0.5000				0			Constant		Undefined	0	0	0	0	0		00
73	Oxidation	0.2846200000	168	7	C{H}{SCY}C(C{H3})=C{H2}	C{H}{SCY}C(C{H3})=C{H2}_C(=O)O{H}  C{H}{SCY}C(C{H3})=C{H2}_C{scy}{H}=C{scy}C{H3}	C1CO1 OO{H} C1OOC1\\207	C{H}{SCY}C1(C{H3})C{H2}O1|30	Epoxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
246	Oxidation	0.2800000000	0	0	C{H2}?Enum22"*Exh1;C{sp3}{in[1-6]},H"C{H2}C{H}=C{H}C{*}{H2}"*Exh1;C{sp3}{in[1-6]},H"C{H3}	-	OO C1CO1	C{H}{SP3}OO{H}	Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
139	Abiotic	0.2736240000	158	0	C{H}(C{H2}C{H2}C{SCY}(C{H3})C{scy})=C(C{H3})C{H3}|OO{H}	-	-	Oligomer	Condensation Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
3	Abiotic	0.2648940000	0	4	CCOO{H}	CC{H}(O{H})OO{H} C{H}=C{H}C{H}(OO{H})C{H2}C{H}=C{H} C{H}=C{H}C{H}=C{H}C{H}OO{H} CC(C)(O)OO{H} O(C{H2}C{H2}O)C{H}(C{H2}C{SP3})OO{H} C{H2}(C{H}(OC{H2})OO{H})OC{H2} C{H2}(O{H})C{H}(OC{H2})OO{H} O{H}OC{H}(C)OC{H2}C{H2}O C{H2}=C{SCY}(C{H}{SCY}OO{H})C{H}{SCY}(C{SCY})C{SCY}_C{scy}{H}=C{scy}(C{H3})C{scy}{H2} C{H2}=C{SCY}(C{H2}{SCY})C{H}{SCY}(C{scy})C{scy}_O(O{H})C{H}{SCY}C{SCY}(=C{H}{SCY})C{H3} C(C{H3})(C{H3})C{H3} c1c(C=O)cccc1 C{scy}C(C{scy})C{H3} c1(C)c(O)c(C)c(C)c2c1CCCO2_CCOO{H}	-\\201,249	CCO{H}|28	Hydroperoxide Decomposition	0.8158				0			Constant		Undefined	0	0	0	0	0		00
254	Oxidation	0.2500000000	0	0	C{H}(Enum28)=C{H}?C{*}{H}(Enum28)=C{*}{H}"*Exh1\0-3"c1c{~1}c{~1}c{~1}c{~1}c{~1}1"~1Pos26;1"	-	OO{H} C1OOC1	C{H}1(Enum28)C{H}O1	Epoxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
215	Oxidation	0.2500000000	0	0	c{~1}1c(O{H})c{H}c(O{H})c{~1}c{~1}1"~1Pos25;1"	c{~1}1c(O{H})c{H}c(O{H})c{~1}c1"~1Pos6;1" c{~1}1c(O{H})c{H}c(O{H})c{~1}c{~1}1"~1Pos18;1" c1(O{H})ccccc1O{H} C(=O)(C)C(C)=O	C1OC1 OO R{+}	c{~1}1c(O{H})c(OO{H})c(O{H})c{~1}c{~1}1"~1Pos25;1"	meta-Benzenediols oxidation	0.3333				0			Constant		Undefined	0	0	0	0	0		00
143	Abiotic	0.2500000000	162	0	C{H}(=O)C{H}=C{H}C(=O)O{H}	-	-	Oligomer	Condensation Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
142	Abiotic	0.2500000000	161	0	C1(=O)C=CC(=N{scy})C=C1O{H}	-	-	Oligomer	Condensation Product Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
250	Oxidation	0.2500000000	0	0	C{H3}C(C{H3})OC{H}C{H3}	-	OO C1OC1 R{+}	C{H3}C(C{H3})OC(C{H3})OO{H}	Ether hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
55	Oxidation	0.2420000000	102	21	C{H}{SP3}C(Enum2)=C{H}C{H}=O	C{H}C(Enum2)=C{H}C{H}=O~C{H}=O C{H}C(Enum2)=C{H}C{H}=O_O{H} C1CC2C(CC1)=CC{H}(C(C{H3})=C{H}C{H}=O)O2	OO{H} C1CO1 C1OOC1	C{sp3}{H}C(Enum2)=C{H}C(=O)O{H}	Aldehyde Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
135	Abiotic	0.2419380000	154	0	C{H}{SP3}C(Enum2)=C{H}C{H}=O_C=C(C{H3})C{H3}	-	-	Oligomer	High-Molecular Weight Product Formation	0.5000				0			Constant		Undefined	0	0	0	0	0		00
47	Oxidation	0.2316790000	170	29	c1c(C{H2}O{H})cccc1	c1c(C{H2}O{H})cccc1~Enum1	OO{H} C1CO1 C1OOC1	c1c(C{H}=O)cccc1|21	Benzyl Alcohol Oxidation	1.0000				0			First order		Undefined	0	0	0	0	0		00
266	Oxidation	0.2300000000	0	7	C1CCC=C2C1CCC(C(C)(C)OO{H})=C2	-	-	C1CCC=C2C1CCC1(C(C)(C)O1)C{H}2	Epoxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
129	Abiotic	0.2000000000	148	0	C{H2}=C{SCY}(C{SCY})C{H2}C{SCY}_C{SCY}(=C{SCY})C{H3}|OO{H}	-	-	Oligomer	High-Molecular Weight Product Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
122	Oxidation	0.1620970000	137	33	C{H2}1C{H2}C{H2}N(C{H3})C1(O{H})C{ar}	-	OO{H} C1CO1 C1OOC1	C{ar}C(=O)O{H}_C{H3}N{H}C{H2}C{H2}C{H}=O	Heterocyclic Ring Oxidative Cleavage	1.0000				0			Constant		Undefined	0	0	0	0	0		00
100	Oxidation	0.1540890000	141	32	C{scy}{H2}N{scy}(C{scy}{H})C{H3}	-	OO{H} C1CO1 C1OOC1	C{H}{SCY}(O{H})N{SCY}(C{H}{SCY})C{H3}	Aliphatic C-Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
264	Oxidation	0.1500000000	102	21	C{H}=O	-	OO{H} C1CO1 C1OOC1 C(=O)O{H}	C(=O)O{H}	Aldehyde Oxidation	0.7959				0			Constant		Undefined	0	0	0	0	0		00
140	Abiotic	0.1500000000	0	0	c1c2c(ccc1)ccc(O{H})c2N{H2}|c1c2c(ccc1)C=CC(=O)C2=N{H}	-	S(=O)(=O)O{H}_S(=O)(=O)O{H}	Oligomer	Condensation Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
145	Abiotic	0.1500000000	0	0	c1(O{H})ccc(N{V3})cc1|C1(=O)C=CC(=O)C=C1	c1(O{H})c{~1}c{~1}c(N{V3})c{~1}c{~1}1"~1Pos19;1"	-	Oligomer	Condensation Product Formation	0.5000				0			Constant		Undefined	0	0	0	0	0		00
217	Abiotic	0.1500000000	197	39	C1C{H}(O{H})CCC(O{H})(C{H3})C=C1	-	-	C1C2(O{H})CCC(C{H3})(C=C1)O2	Cycloisomerization	1.0000				0			Constant		Undefined	0	0	0	0	0		00
131	Abiotic	0.1475010000	150	0	C{SCY}(C{SCY})(C{H3})=C{H}{SCY}C{H2}{SCY}C{SCY}|OO{H}	C1(C)C(=O)CCC(O{H})CC=1	-\\6,130,137	Oligomer	High-Molecular Weight Product Formation	0.8750				0			Constant		Undefined	0	0	0	0	0		00
121	Oxidation	0.1472890000	136	32	C{H2}1CCN(C{H3})C{H}1C{ar}	-	OO{H} C1CO1 C1OOC1	C{H2}1CCN(C{H3})C1(C{ar})O{H}|33	Aliphatic C-Oxidation	0.5000				0			Constant		Undefined	0	0	0	0	0		00
72	Oxidation	0.1433360000	167	7	C{ACY}{SP3}C{H}=C(C{H3})C{H3}	C{ACY}{SP3}C{H}=C(C{H3})C{H3}_C(=CC=C)C=C C{ACY}{SP3}C{H}=C(C{H3})C{H3}_C(=O)O{H} C{ACY}{SP3}C{H}=C(C{H3})C{H3}_C(C{H3})=CCO{H} C1(C)(CC)C2(C)C3C2CC1C3	OO{H} C1CO1 C1OOC1	C{ACY}{SP3}C{H}1C(C{H3})(C{H3})O1|30	Epoxidation	0.8333				0			Constant		Undefined	0	0	0	0	0		00
263	Oxidation	0.1310000000	0	0	c1cc(O{H})c(C{H})cc1	c{~1}1c{~1}c(O{H})c(C{H})c{~1}c{~1}1"~1Pos20;1" c1(O)c(C=N)cc(N)cc1 C1(=N)C(=O)c2c(cccc2)C=C1 c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=NC2"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO	C1=CC(=O)C(=C)C=C1	Quinone Methide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
202	Abiotic	0.1200000000	0	0	C{SCY}(C{H3})=C{SCY}C{H}=C{H}C{SCY}=C{SCY}C{H2}{scy}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
119	Oxidation	0.1140670000	139	34	C1CCN(C{H3})C{H}1C	-	OO{H} C1CO1 C1OOC1	C1CCN{H}C{H}1C|38_C{H2}=O	Oxidative N-Dealkylation	0.5000				0			Constant		Undefined	0	0	0	0	0		00
252	Oxidation	0.1000000000	0	0	c1cc(O{H})c(C{H})cc1	c{~1}1c{~1}c(O{H})c(C{H})c{~1}c{~1}1"~1Pos20;1" c1cc(O{H})c(C{H}{sp2})cc1 c{~1}{@}1c{~1}{@}c{~1}{@}c{~1}{@}c2c1c{~1}{@}c{~1}{@}c{~1}{@}c{~1}{@}2"~@1Het1;C,N{>=0}" c{~1}1c{~1}c2c(c{~1}c{~1}1)C=NC2"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}" c1c{~1}c{~1}2c{~1}(c{~1}c1)C=CEnum192"~1Pos30;2" c1c{~1}c{~1}2c{~1}(c{~1}c1)C{~2}{@}C{~2}{@}C{~2}{@}2"~1Pos30;2""~@2Het4;C,O,N{sp3}"	C1CO1 OO	C1=CC(=O)C(=C)C=C1	Quinone Methide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
251	Oxidation	0.1000000000	0	0	C{scy}C{H}{scy}(C{scy})C{scy}(=C{H2}{acy})C{scy}	-	C1CO1 OO R{+}	C{SCY}C{SCY}(C{SCY})(OO{H})C{SCY}(=C{H2}{ACY})C{SCY}	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
138	Abiotic	0.1000000000	0	0	C{SP3}C{H}=C{H}C{H2}C{H}=C{H}C{SP3}_C(=O)O|OO{H}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
155	Abiotic	0.1000000000	0	0	c1(N{H2})ccc(N{H2})cc1|C1(=N{H})C=CC(=N{H})C=C1	c12C(=O)c3c(C(=O)c1c(N)ccc2N)cccc3 c1(N{H2})c{~1}c{~1}c(N{H2})c{~1}c{~1}1"~1Pos19;1"	-	Oligomer	Condensation Product Formation	0.3333				0			Constant		Undefined	0	0	0	0	0		00
10	Abiotic	0.0998270000	0	3	C{H2}{SCY}C{SCY}(=C{H}{SCY}C{scy})C{H2}O{H}	-	OO{H} C1CO1 C1OOC1\\7	C{H}{SCY}=C{SCY}(C{H2}{SCY}C{scy})C{H2}O{H}|7;28	Allylic Rearrangement	1.0000				0			First order		Undefined	0	0	0	0	0		00
117	Oxidation	0.0781030000	117	26	O(C{H2}C{H2}OC{sp3})C{H2}C{H2}C{SP3}	-	C1CO1 R{+} O=C{H} O{H}O C1OOC1	O(C{H2}C{H2}OC{sp3})C{H}(C{H2}C{SP3})OO{H}	Ether Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
84	Oxidation	0.0775650000	138	33	C1C=C(C{H}=O)OC{H}=1	-	OO{H} C1CO1 C1OOC1	C(=O)(O{H})C=CC{H}=O_C{H}(=O)O{H}	Furancarbaldehyde Oxidative Ring Cleavage	1.0000				0			Constant		Undefined	0	0	0	0	0		00
241	Abiotic	0.0700000000	0	0	C{H2}(C{H}=C{H}C{H2})C{H}=C{H}C{H2}_C{H2}C{H3}_C{H2}C{H3}	-	-	Oligomer	Condensation Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
128	Abiotic	0.0582560000	147	0	C(C{H3})=C{H}C{H2}O{H}_C=C(C{H3})C{H3}|OO{H}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
48	Oxidation	0.0557000000	180	20	C{SP3}C{H}=C{H}C{H}=C{H}C{H2}C{sp3}	-	COO{H} C1CO1 C1OOC1 R{+}	C{SP3}C{H}=C{H}C{H}=C{H}C{H}(C{SP3})OO{H}|4	Allylic Hydroperoxide Formation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
101	Oxidation	0.0501850000	140	35	C{H}{SCY}(O{H})N{SCY}(C{H}{SCY})C{H3}	-	OO{H} C1CO1 C1OOC1	C{SCY}(=O)N{SCY}(C{H}{SCY})C{H3}	Aliphatic C-Oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
265	Abiotic	0.0500000000	0	0	c{H}1c{H}c(Enum27)c{H}c{H}c1C{H}=C{H}C{H2}O{H}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
219	Abiotic	0.0500000000	0	0	C{H2}=CC(O{H})C{H3}_C=C(C{H3})C{H3}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
7	Abiotic	0.0500000000	0	3	C(C{sp3})(=C{H})C{H3}	C(C{SP3})(=C{H})C{H3}_C=CC=C C1(C(=C{H2})C{H3})CC=C(C{H3})CC1 C1C(C)C2C(CC1)CC{H2}C(C{H3})=C{H}2 C1C(=C(C{H3})C{H3})CC=CC1 C12C(CC=CC1)C2~C{H3} C{H2}=C(C{H3})C{H}_C{H2}=C(C{H3})C{H} C{H}=C{H}C{H}(C{H3})C{H3}_C{H2}=C(C{H3})C{H} O{H}C{H2}C{H}=CC{H3}_C=C(C{H3})C{H3} C=CC=O_C=C(C{H3})C{H3} C{H3}C{H}(C{H3})C{H}=C{H}_C(C{H3})=CC{H2}O{H} C1C2C(C1)C(=C{H2})CCC=C(C)CC2 C(=O)C=CC C(O{H})C(=C)C{H3} C{SCY}(C{SCY}{SP3})(=C{H}{SCY})C{H3}_C{scy}{H}O{H} C12C(C3C4(C(CCC3)C4)CC1)CCC2C(C)CCC CCC=CC=O	C1CO1 COO{H} C1OOC1 C(=O)C=C	C{sp3}C(C{H2})=C{H2}|7;20	Allylic Rearrangement	1.0000				0			Constant		Undefined	0	0	0	0	0		00
271	Abiotic	0.0500000000	0	3	C{SCY}=C(C{H3})C{H3}{SP3}	C1C(C)C2C(CC1)CC{H2}C(C{H3})=C{H}2 C12C(CC=CC1)C2~C{H3} C1C2C(C1)C(=C{H2})CCC=C(C)CC2 C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}_CC(=C)C{SCY} C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}_CC(O{H})CO{H}	OO{H} C1CO1 C1OOC1	C{H}{SCY}C(C{H3})=C{H2}|7;20	Allylic Rearrangement	1.0000				0			Constant		Undefined	0	0	0	0	0		00
11	Abiotic	0.0500000000	0	3	C{H}{SCY}=C{SCY}(C{H3})C{H2}{scy}	C1C(C)C2C(CC1)CC{H2}C(C{H3})=C{H}2 C1C(=C(C{H3})C{H3})CC=CC1 C12C(CC=CC1)C2~C{H3} C1C2C(C1)C(=C{H2})CCC=C(C)CC2 C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}_CC(=C)C{SCY} C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}_CC(O{H})CO{H}	OO{H} C1CO1 C1OOC1	C{H2}{SCY}C{SCY}(C{H3})=C{H}{scy}|7;20	Allylic Rearrangement	1.0000				0			Constant		Undefined	0	0	0	0	0		00
147	Oxidation	0.0500000000	0	10	[Si](C)(C)(C)O[Si](O[Si](C)(C)C)[Si](C)(C)C	-	OO{H} C1CO1 C1OOC1	[Si](C)(C)(C)O[Si](O[Si](C)(C)C)O[Si](C)(C)C	Sylilsilane oxidation	0.0000				0			Constant		Undefined	0	0	0	0	0		00
83	Abiotic	0.0355340000	144	37	C1=CC=CC{H2}C{H}1	-	C1CO1 OO{H} C1OOC1	c1cccc{H}c1	Oxidative Dehydroaromatization	0.5000				0			Constant		Undefined	0	0	0	0	0		00
88	Oxidation	0.0350930000	119	26	O(C{H}(Enum2)Enum2)C{H}(Enum2)Enum2	-	C1CO1 C1OOC1 R{+}	O(C(Enum2)(Enum2)OO{H})C{H}(Enum2)Enum2|26	Ether Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
35	Oxidation	0.0297980000	185	20	C{H3}C(C{H3})=C{H}C{acy}{sp3}	C{H3}C(C{H3})=C{H}C{ACY}{SP3}_C(=CC=C)C=C C{H3}C(C{H3})=C{H}C{ACY}{SP3}_C(=O)O{H} C=CC{H2}O{H}_C=C(C{H3})C{H3}	OO{H} C1CO1 C1OOC1 R{+}	C{H2}(C(C{H3})=C{H}C{ACY}{SP3})OO{H}|4	Allylic Hydroperoxide Formation	0.2857				0			Constant		Undefined	0	0	0	0	0		00
111	Oxidation	0.0290950000	174	28	C{H}{SCY}(C{SCY})=C{SCY}(C{scy})C{H2}O{H}	-	OO{H} C1CO1 C1OOC1	C{H}{SCY}(C{SCY})=C{SCY}(C{SCY})C{H}=O	Allyl Alcohol Oxidation	0.6667				0			Constant		Undefined	0	0	0	0	0		00
33	Oxidation	0.0287360000	188	20	C{SCY}C{H}{SCY}=C{SCY}(C{H3})C{H2}{scy}C{scy}	C{SCY}C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}C{SCY}_C(O{H})=O C1C(C{SCY}C{H}{SCY}=C{SCY}C{H3})C1 C{SCY}(=O)C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}C{scy} C(C{H3})(C{H3})=C{scy}C{scy}{H2}C{scy}{H}=C{scy}C{H3}	COO{H} C1CO1 C1OOC1 R{+}\\80	C{SCY}C{H}{SCY}=C{SCY}(C{H3})C{H}{SCY}(C{SCY})OO{H}|4	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
77	Oxidation	0.0284000000	169	7	C{SCY}C{H}=C{SCY}(C{SCY})C{H2}O{H}	-	OO{H} C1CO1 C1OOC1	C{SCY}C{H}1C{SCY}(C{SCY})(C{H2}O{H})O1	Epoxidation	0.5000				0			Constant		Undefined	0	0	0	0	0		00
151	Oxidation	0.0265410000	131	20	C{scy}{scy}(C{scy})=C{scy}{H}C{scy}{H2}C{scy}	C1C(C{H2}{SCY}C{H}{SCY}=C{scy}C{H3})C1 C(C{H2})=CC(=O)O{H} C(=C{H2})(C)C{SCY}C{SCY} C1(C(C)C)C(C)C=CC{H2}1 C{SCY}(C{SCY})=C{H}{SCY}C{H2}{SCY}C{SCY}O{H} C{scy}(C{scy}{H2}C{scy}{H}=C{scy})C{scy}C(=O)O{H} C1=C(C)C=CC{H}(C)C{H2}1 C1C{H2}CN{V3}C=1 C(C{H3})(C{H3})=C{scy}  C{~1}12C{~1}(C{~1}C{~1}C{H2}C{H}=1)C{~1}C{~1}C{~1}C{~1}2"~1Pos17;1"	C1CO1 C1OOC1 OO{H} C=CC{H}=O R{+}\\173	C{SCY}(C{SCY})=C{H}{SCY}C{H}(C{SCY})OO{H}|4	Allylic Hydroperoxide Formation	0.6000				0			Constant		Undefined	0	0	0	0	0		00
148	Oxidation	0.0257980000	196	7	C{SCY}C{H2}C{SCY}(C{H3})=C{SCY}	C(=C)(C)CC_C(=O)O C(C)(=CC=O)CC C(C)(=CCO)CC  C1(C{H3})(C{H3})CC1	C1CO1 OO{H} C1COO1 C(C{H3})(C{H3})(C{scy})C{scy} C1CC=C(C=C)CC1	C{SCY}C{H2}C{SCY}1(C{H3})C{scy}O1	Epoxidation	0.3333				0			Constant		Undefined	0	0	0	0	0		00
120	Oxidation	0.0213000000	165	38	C{H2}1CCN{V3}C{H}1C	C1CCN{V3}C1~C=O	OO{H} C1CO1 C1OOC1	C{H}1CCN{V3}C=1C	Dehydrogenation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
9	Abiotic	0.0132680000	193	3	C{H2}C{H}=C(C{H3})C{SP3}	C(C{SP3})(=C{H})C{H3}_C=CC=C C1C(=C(C{H3})C{H3})CC=CC1 C12C(CC=CC1)C2~C{H3} C=CC=O_C=C(C{H3})C{H3} C{H3}C{H}(C{H3})C{H}=C{H}_C(C{H3})=CC{H2}O{H} C1C2C(C1)C(=C{H2})CCC=C(C)CC2 C{H2}(O{H})C{H}=CC{H3} C(O{H})C(=C)C{H3} C{H}1(C{SP2})C{H2}C=C(C{H3})C{H2}C1 C12C(C3C4(C(CCC3)C4)CC1)CCC2C(C)CC	C1CO1 COO{H} C1OOC1 C(=O)C=C	C{H}=C{H}C{H}(C{H3})C{sp3}|7;20	Allylic Rearrangement	1.0000				0			Constant		Undefined	0	0	0	0	0		00
127	Oxidation	0.0089600000	0	26	C{acy}{H2}OC{acy}{H2}	O(C{H2}C{H2}OC{sp3})C{H2}C{H2}C{SP3} C{H2}(C{H2}OC{sp3})OC{H2}C{H2}OC{H2}C{H2}O OC{H}C{H}O_OO{H} O(C{H3})C{H}{acy} C{H2}OC{H2}_C(=O)O C{H2}OC{H2}_N	C1CO1 C{H}=O OO{H} O{H}_O{H} R{+} O{H}C=O	C{acy}{H}(OC{acy}{H2})OO{H}	Ether Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
133	Abiotic	0.0086960000	152	0	C{SP3}C{H}=C{H}C{H2}C{H}=C{H}C{SP3}_C(=O)O|OO{H}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
136	Abiotic	0.0086960000	155	0	C{SP3}C{H}=C{H}C{H2}C{H}=C{H}C{SP3}_C(=O)O|OO{H}	-	-	Oligomer	High-Molecular Weight Product Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
89	Oxidation	0.0036060000	115	26	C{sp3}OC{H2}C{H2}O{H}	C{SP3}OC{H2}C{H2}O{H}_C{H}=O C{SP3}OC{H2}C{H2}O{H}_O{H}	COO{H} C1CO1 C1OOC1 C{H}=O R{+}	C{SP3}OC{H2}C{H}(O{H})OO{H}|4	Ether Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
150	Abiotic	0.0000100000	198	39	C12(C{H3})C3(O{H})C{H2}C{H2}C(C{H3})(C{H}=C1C(C{H3})(C{H3})CCC2)O3	-	-	C1CC2(C{H3})C(C(C{H3})(C{H3})C1)=C{H}OC1(C{H3})C{H2}C{H2}C{H}2O1	Cycloisomerization	1.0000				0			Constant		Undefined	0	0	0	0	0		00
92	Oxidation	0.0000000010	142	36	C1(C{SP3})(O{H})C(=C{H}C{H}=C{scy})CCCC1	-	OO{H} C1CO1 C1OOC1	C12(C{sp3})C(CCCC1)=C{H}C(=C{scy})O2	Oxidative Dehydrocyclization	0.0000				0			Constant		Undefined	0	0	0	0	0		00
98	Oxidation	0.0000000010	128	20	C{SCY}(=O)C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}C{scy}	-	C1CO1 OO{H} C1OOC1 C=C(C{H3})C{H3} R{+}	C{SCY}(=O)C{H}{SCY}=C{SCY}(C{H3})C{H}{SCY}(C{SCY})OO{H}|4	Allylic Hydroperoxide Formation	1.0000				0			Constant		Undefined	0	0	0	0	0		00
107	Oxidation	0.0000000010	70	7	C1CCC(C{H}=C{H})=C(C{H3})C1	-	OO{H} C1CO1 C1OOC1 C=O C1CCC2=C{H}C{H}OC2(C{H3})C1	C1CCC2=C{H}C{H}OC2(C{H3})C1	Oxidative Cyclization	0.6667				0			Constant		Undefined	0	0	0	0	0		00
41	Oxidation	0.0000000010	184	20	C{SCY}C{SCY}(C{H3})=C{H}{SCY}C{scy}	C12C(CC(C{H3})=CC1)C2 C{SCY}C{SCY}(C{H3})=C{H}{SCY}C{SCY}_C(=O)O{H} C(=O)C=CC{H3} C{H}1(C{SP2})C{H2}C=C(C{H3})C{H2}C1 C1C(=C)C{H2}C=C(C{H3})C{H2}1 C{SCY}C{SCY}(C{H3})=C{H}{SCY}C{SCY}~C(=O)C C{SCY}C{SCY}(C{H3})=C{H}{SCY}C{SCY}~CC=O C{SCY}(=O)C{SCY}(C{H3})=C{H}{SCY}C{SCY} C{SCY}C{SCY}(C{H3})=C{H}{SCY}C{SCY}_C{scy}O{H} C{H}{SCY}=C{SCY}(C{H3})C{H2}{SCY}_C{scy}{H}O{H} C{SCY}C{SCY}(C{H3})=C{H}{SCY}C{SCY}_C{scy}=C{H2}	OO{H} C1CO1 C1OOC1 C1=CC=CCC1 C1=CC(=Enum19)C=CC1=Enum19 R{+}	C{SCY}C{SCY}(C{H2}OO{H})=C{H}{SCY}C{SCY}|4	Allylic Hydroperoxide Formation	0.2500				0			Constant		Undefined	0	0	0	0	0		00
58	Oxidation	0.0000000010	103	21	C{SCY}=C{SCY}C{H}=O	C{SCY}=C{SCY}C{H}=O_C{H2}=CC{H3} C{SCY}=C{SCY}C{H}=O_C(C)(O{H})CO{H}	OO{H} C1CO1 C1OOC1	C{SCY}=C{SCY}C(=O)O{H}	Aldehyde Oxidation	1.0000				0			Constant		Undefined	0	0	0	0	0		00



