CONTROL:
"!Enum1;O,S{v2},N{v3}"
"*Ex10;E10,S{H}{v2}[X1],N{H2}{V3}[X1],C"
"!HA17;C{scy}{sp2},N{SCY}{V3}"
"~@Het1;C,N"
"~Pos1{-}O{H}[X1],C{SCY}{SP2}[X1];"
"~Pos2{-}[X1]H,C{H}(=O)[X1],C(=O)([X1])OC,F[X1],Cl[X1],Br[X1],I[X1],P{v5}([X1])(=O)=O,C([X1])(=O)Cl,C([X1])(=O)F,C([X1])(=O)Br,C([X1])(=O)I,S([X1])(=O)(=O)O{H},S([X1])(=O)(=O)OC,S([X1])(=O)(=O)C,S([X1])(=O)(=O)F,S([X1])(=O)(=O)Cl,S([X1])(=O)(=O)Br,S([X1])(=O)(=O)I,c{H}1c{H}c{H}c{H}c{H}c1[X1],C{scy}[X1],C(=O)(O{H})[X1],C{acy}[X1];"
"!SAm1;C,N{v3}C"
"![R1];H,C{sp2},C{sp1},C{ar},C{sp3}C{ar},F,Cl,I,Br"
"!AM1;C{scy}{sp3},C{scy}{sp2}"
"!E10;C{scy}{sp3},C{scy}{sp2}"
"!E11;C{ar},C{sp3}"
"!E12;H,C{sp2},C{sp3},C{ar}"
"!E15{-}[X1]H,[X1]C"
"~EAG{-}C(=O)[X1],C([X1])#N{v3},N{acy}{v3}([X1])=N{ACY}{V3}C{ar},N(=O)(=O)[X1],N{v3}(=O)[X1],N{ACY}{V3}([X1])=N{ACY}{V3}C{sp3},C{acy}([X1])=N{ACY}{V3}C{AR},C{acy}([X1])=N{ACY}{V3}C{sp3},S{ACY}{V4}(=O)[X1],S{ACY}{V6}(=O)([X1])=O;"
"!ES1;O{acy},S{ACY}{V2}"
"!FP1;OC,N{v3}C,C"
"!Hal;F,Cl,Br,I"
"!KE1;O{H},OO{H}"
"!LT1;S{scy}{v2},O{scy}{v2}"
"!PO2{-}S{H}{V2}[X1],O{H}[X1]"
"~Ph1{-}O{H}[X1];"
"~Ph2{-}C{scy}{sp2}[X1];"
"~Ph3{-}O{scy}[X1],S{scy}{v2}[X1],N{scy}{v3}[X1],C{scy}{sp3}[X1];"
"~Rg1{-}C{scy}{sp2}[X1];"
"!SA1{-}N{acy}{v3}[X1],S{acy}{v2}([X1])C,O([X1])C"
"!Sc1;C{scy},N{SCY}{V3},S{scy},O{scy}"
"!TD1{-}O{H}[X1],N{H}{V3}([X1])C"
"!CG;O{H},S{H}{v2},OC,N{v3},OOC,C{acy}"
"!DT{-}O{H}[X1],N{H2}[X1],[X1]H"
"!E1;H,C{sp3},C{sp3}C{ar},C{sp3}C{sp2},C{sp3}C{sp1}"
"!E2;C{sp3},C{ar},C{sp2},H"
"!E3{-}O{H}[X1],C[X1],O([X1])C,S{v2}([X1])C,N{v3}([X1])C,S{v6}[X1]"
"!E4;C{sp3}Hal,C{sp3},H,C{sp2},C{ar},C{SP3}O,C{SP3}S{V2},[Se]{V2}C{SP3},[Te]{V2}C{SP3}"
"!E5{-}C{sp3}[X1],C{sp3}([X1])C{ar},C{sp2}[X1],C{sp1}[X1],[X1]H,C{AR}[X1],Cl[X1]"
"!E6;C{sp3},C{ar}"
"!E7;H,C{sp2},C{ar},C{sp1}"
"!E8{-}C1([X1])=N{v3}C=CC=C1,C1([X1])=N{v3}C=CC2=C1C=CC=C2"
"~F1{-}O{H}[X1],S{H}{v2}[X1],N{H}{V3}[X1],C([X1])#N{v3},C{H}([X1])=O,C([X1])(=O)N{H2}{v3},S{V4}([X1])=O,S{v6}([X1])(=O)=O;"
"!M1{-}C{sp3}[X1],[X1]H"
"!SA;C,N{v3}"
"!T9;C{sp3},C{ar},C{sp2},C{sp1},H"
"~TG{-}N{H}{v3}[X1],O{H}[X1],S{H}{v2}[X1],[Se]{H}{v2}[X1];"
"!Z1{-}[X1]H,[X1]c1ccccc1,C{H3}[X1]"
"!Z2{-}C([X1])#N{v3},[X1]H,O=S{v6}(=O)([X1])C(F)(F)F,N{v5}(=O)(=O)[X1]"
"!Z3{-}C(=O)(C)[X1],C{sp3}[X1],C{ar}[X1],[X1]H,S{V6}(=O)(=O)([X1])C,P{v5}(=O)([X1])(OC)OC"
"!Z4{-}[X1]H,[X1]N{H2}{v3},[X1]OC"
"~3G{-}O{H}[X1],S{H}{v2}[X1],N{H}{v3}[X1];"

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
11	phase I	1.0000000000	0	0	C{H}{sp3}C{ACY}=O	-	C{ACY}{H}{SP3}C{ACY}(=O)OO{H}	C=C{ACY}O{H}	Keto - enol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
12	phase I	1.0000000000	0	0	C{acy}=C{acy}O{H}	-	C{ACY}=C{ACY}(O{H})OO{H}	C{ACY}{H}{SP3}C{acy}=O	Enol - keto tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
6	phase I	1.0000000000	0	0	C{scy}=C{scy}O{H}	C1(O{H})C2C(C=CC=1)=CC=CC=2 C1C2=C(C=CC=1O{H})C=CC=C2 C1C2C(C=CC=1O{H})=CC=CC=2	C1C=C(O{H})C=CC=1 C{~1}1C{~1}=C(O{H})C{~1}=C{~1}C{~1}=1"~1Ph3;2" C{~1}{@}1C(O{H})=CC{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}" C{~1}1=C(O{H})C{~1}=C{~1}C{~1}=C{~1}1"~1Rg1;2" C1=CC2=C(C=C1)C=C1C(=C2)C(O{H})=C2C(=C1)C=CC=C2 C1C=C2C(=CC=1)C=C1C(=C2)C(O{H})=C2C(=C1)C=CC=C2 C1C(O{H})=C2C(=CC=1)C=CC=C2 c1cc(O{H})ccc1 C1=CC(O{H})=CC=C1	C{H}{scy}{sp3}C{SCY}=O	Enol - keto tautomerism - 1,3-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
4	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{SCY}=O	-	-	C{scy}=C{scy}O{H}	Keto - enol tautomerism - 1,3-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
328	phase I	1.0000000000	0	0	C1=C(O{H})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	C1(=O)C{H}2C(C=CC=C2)=CC=C1 c1cc2c(cc1)cc1c(c2O{H})cccc1 C{H}12C(=O)c3c(C=C1C=CC=C2)cccc3 C1=CC2C(C=C1)=CC1=C(C=2O{H})C=CC=C1 C12C(C3C(C=C1)=CC1=C(C=3O{H})C=CC=C1)=CC=CC=2 c12c(c3c(O{H})c4c(cc3cc1)cccc4)cccc2	C{H}{sp3}1C(=O)C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enol - keto tautomerism - 1,3-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
46	phase I	1.0000000000	0	0	C1(O{H})=CC2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=O)C{H}{sp3}C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enol - keto tautomerism - 1,3-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
120	phase I	1.0000000000	0	0	C{~1}1=C(O{H})C{~1}=C{~1}C{~1}=C{~1}1"~1Ph1;1"	-	C{H}1(O{H})C(=O)C=CC=C1 C12=C(O{H})C=CC=C1C=CC=C2	C{~1}{H}{SP3}1C(=O)C{~1}=C{~1}C{~1}=C{~1}1"~1Ph1;1"	Enol - keto tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
327	phase I	1.0000000000	0	0	C{H}{SP3}1C(=O)C=CC=C1	C1(=O)C{H}(O{H})C=CC=C1	C1(=O)C{H}2C(C=CC=C2)=CC=C1 C1(O{H})C=CC=C2C=1C=CC=C2	C1=C(O{H})C=CC=C1	Keto - enol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
288	phase I	1.0000000000	0	0	C1=CC{H}{SP3}C=CC1=O	-	C1(=O)C=C2C{H}(C=CC=C2)C=C1	C1C=CC=CC=1O{H}	Keto - enol tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
287	phase I	1.0000000000	0	0	C1=C(O{H})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	C1=C(O{H})C2=C(C3=C1C=CC=C3)C=CC=C2 C1(O{H})c2c(-c3c(cccc3)C=1)cccc2	C1C(=O)C2=C(C{H}{sp3}C=1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enol - keto tautomerism - 1,5-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
121	phase I	1.0000000000	0	0	C{~1}1C{~1}=C{~1}C{~1}=C{~1}C=1O{H}"~1Ph1;1"	-	C1=CC{H}(O{H})C=CC1=O C{H}1C{H}=C(O{H})C{H}=C{H}C=1O{H} C12C(=C{~1}C{~1}=C{~1}C=1O{H})C=CC=C2"~1Ph1;1" C12=C(C{~1}=C{~1}C{~1}=C1O{H})C=CC=C2"~1Ph1;1"	C{~1}1=C{~1}C{~1}{H}C{~1}=C{~1}C1=O"~1Ph1;1"	Enol - keto tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
44	phase I	1.0000000000	0	0	C{SCY}(=C{SCY}O{H})C{scy}=C{scy}{sp2}	C1(O{H})C2C(C=CC=1)=CC=CC=2 C1(O{H})=C2C(=CC=C1)C=CC=C2 C1(O{H})C2=C(C=CC=1)C=CC=C2 C1(=O)C=C2C(C=C1)=CC=CC{H}2 C1(O{H})=CC2C(C=C1)=CC=CC=2	C1C=CC=CC=1O{H} C{~1}1C{~1}=C(O{H})C{~1}=C{~1}C{~1}=1"~1Ph3;2" C{~1}{@}1C(O{H})=C{~1}{@}C{~1}{@}=CC{~1}{@}=1"~@1Het1;C,N{>=1}" C{~1}1C{~1}=C{~1}C{~1}=C{~1}C=1O{H}"~1Rg1;2" C1C(O{H})=C2C(=CC=1)C=CC=C2 C12C(C=C(O{H})C=C1)=Cc1c(cccc1)C=2 C12C(C3=C(C(O{H})=C1)C=CC=C3)=CC=CC=2 c12c(cccc1)C=C1C(=C2)C=C(O{H})C=C1 C12C(C3C(C(O)=C1)=CC=CC=3)=CC=CC=2 c12c(c(O)c3c(cccc3)c1)cccc2 C1(O{H})=CC2C(C=C1)=CC1C(C=2)=CC=CC=1 C12C(c3c(C(O{H})=C1)cccc3)=Cc1c(cccc1)C=2 C1=CC2=C(C=C1)C=C1C(=C2)C(O{H})=C2C(=C1)C=CC=C2 C1(O{H})=CC2C(C3C1=CC=CC=3)=CC1=C(C=2)C=CC=C1 C1C=C2C(=CC=1)C=C1C(=C2)C(O{H})=C2C(=C1)C=CC=C2 C1(O{H})=CC2C(C3C1=CC=CC=3)=CC1C(C=2)=CC=CC=1 C1=CC2=C(C=C1O{H})C=CC=C2 c1ccccc1O{H} C1=CC(O{H})=CC=C1 C1=CC2=C(C=C1)C=C(O{H})Enum12 c1cc2c(cc1)C=C(O{H})Enum12 C12C(C=C(O{H})Enum11)=CC=CC=2 C12C(C=C(O{H})Enum11)=CC1=C(C=2)C=CC=C1 c12c(C=C(O{H})Enum11)cc1c(c2)cccc1 C12=C(C=C(O{H})O1)C=C1C(=C2)C=CC=C1 C12C(=Cc3c(cccc3)C=1)OC(O{H})=C2 C12C(=CC3=C(C=1)C=CC=C3)OC(O{H})=C2 c12c(C=C(O{H})O1)cc1c(cccc1)c2 C12=C(C=C(O{H})O1)C=C1C(C=CC=C1)=C2 C12C(C=C(O{H})O1)=CC1=C(C=CC=C1)C=2 C12C(C=C(O{H})O1)=CC1C(=CC=CC=1)C=2 C12=C(C=C(O{H})O1)C=C(C{ar})C(C{ar})=C2	C{SCY}(C{SCY}=O)=C{SCY}C{H}{scy}{sp3}	Enol - keto tautomerism - 1,5-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
17	phase I	1.0000000000	0	0	C{SCY}(C{SCY}=O)=C{SCY}C{H}{scy}{sp3}	C1(=O)C=C2C(C=C1)=CC=CC{H}2	C1(O{H})c2c(-c3c(cccc3)C=1)cccc2 C12C(c3c(C(=O)C=1)cccc3)=CC=CC{H}2 C1(=O)C=CC2C(C{H}C=C*C=2)=C1 C1(=O)c2c(C=CC{H}1)cccc2 C12C(c3c(C(=O)C=1)cccc3)=CC=CC{H}2 C12C(C=CC(=O)C=1)=Cc1c(cccc1)C{H}2	C{SCY}(=C{SCY}O{H})C{scy}=C{scy}{sp2}	Keto - enol tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
375	phase I	1.0000000000	0	0	C{~1}{@}1C(O{H})=CC{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}"	-	C{~1}{@}1C(O{H})=C2C(=C{~1}{@}C{~1}{@}=1)C=CC=C2"~@1Het1;C,N{>=1}" C{~1}{@}1=C(O{H})C2=C(C{~1}{@}=C{~1}{@}1)C=CC=C2"~@1Het1;C,N{>=1}"	C{~1}{@}1C(=O)C{H}{sp3}C{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Enol - keto tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
132	phase I	1.0000000000	0	0	C{~1}1C(O{H})=C{~1}C{~1}=C{~1}C{~1}=1"~1EAG;1"	-	C12C(O{H})=CC=CC=1C=CC=C2	C{~1}1C(=O)C{~1}{H}C{~1}=C{~1}C{~1}=1"~1EAG;1"	Enol - keto tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
129	phase I	1.0000000000	0	0	C{~1}1C(O{H})=C{~1}C{~1}=C{~1}C{~1}=1"~1TG;1"	-	-	C{~1}1C(=O)C{~1}{H}C{~1}=C{~1}C{~1}=1"~1TG;1"	Enol - keto tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
186	phase I	1.0000000000	0	0	C{~1}1C(O{H})=C{~1}C{~1}=C{~1}C{~1}=1"~1EAG;1"	-	-	C{~1}1C(=O)C{~1}=C{~1}C{~1}{H}C{~1}=1"~1EAG;1"	Enol - keto tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
130	phase I	1.0000000000	0	0	C{~1}1C(O{H})=C{~1}C{~1}=C{~1}C{~1}=1"~1TG;1"	-	-	C{~1}1C(=O)C{~1}=C{~1}C{~1}{H}C{~1}=1"~1TG;1"	Enol - keto tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
131	phase I	1.0000000000	0	0	C{~1}{@}1C(O{H})=C{~1}{@}C{~1}{@}=CC{~1}{@}=1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C(=O)C{~1}{@}=C{~1}{@}C{H}{sp3}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Enol - keto tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
21	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=O	-	C{ACY}{H}{SP3}C{ACY}=C{ACY}C{ACY}(=O)OO{H}	C{acy}=C{acy}C{acy}=C{acy}O{H}	Keto - enol tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
22	phase I	1.0000000000	0	0	C{acy}=C{acy}C{ACY}=C{ACY}O{H}	-	C{ACY}=C{ACY}C{ACY}=C{ACY}(O{H})OO{H}	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=O	Enol - keto tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
294	phase I	1.0000000000	0	0	C{ACY}(C{ACY}{H}{SP3})#C{ACY}C{ACY}=O	-	C{ACY}(C{ACY}{H}{SP3})#C{ACY}C{ACY}(=O)OO{H}	C{ACY}(=C{ACY}{SP2})=C{ACY}=C{ACY}O{H}	Keto - enol tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
293	phase I	1.0000000000	0	0	C{ACY}(=C{ACY}{SP2})=C{ACY}=C{ACY}O{H}	-	C{ACY}(=C{ACY}{SP2})=C{ACY}=C{ACY}(O{H})OO{H}	C{ACY}(C{ACY}{H}{SP3})#C{ACY}C{ACY}=O	Enol - keto tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
19	phase I	1.0000000000	0	0	C{acy}(=C{acy}C{acy}=C{acy}O{H})C{acy}=C{acy}	-	C{ACY}(=C{ACY}C{ACY}=C{ACY}(O{H})OO{H})C{ACY}=C{ACY}	C{ACY}(C{ACY}=C{ACY}C{ACY}=O)=C{ACY}C{H}{acy}{sp3}	Enol - keto tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
499	phase I	1.0000000000	0	0	C{ACY}(C{ACY}=C{ACY}C{ACY}=O)=C{ACY}C{ACY}{H}{SP3}	-	C{ACY}(C{ACY}=C{ACY}C{ACY}(=O)OO{H})=C{ACY}C{ACY}{H}{SP3}	C{acy}(=C{acy}C{acy}=C{acy}O{H})C{acy}=C{acy}	Keto - enol tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
296	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{ACY}#C{ACY}C{ACY}#C{ACY}C{ACY}=O	-	C{ACY}{H}{SP3}C{ACY}#C{ACY}C{ACY}#C{ACY}C{ACY}(=O)OO{H}	C{SP2}=C=C=C=C=CO{H}	Keto - enol tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
295	phase I	1.0000000000	0	0	C{SP2}=C=C=C=C=CO{H}	-	C{SP2}=C=C=C=C=C(O{H})OO{H}	C{ACY}{H}{SP3}C{ACY}#C{ACY}C{ACY}#C{ACY}C{ACY}=O	Enol - keto tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
473	phase I	1.0000000000	0	0	C(C=CC{SCY}=O)=CC{H}{scy}{sp3}	-	-	C(=CC=C{scy}O{H})C=C{scy}	Keto - enol tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
474	phase I	1.0000000000	0	0	C{sp1}=C{ACY}O{H}{ACY}	-	-	C{H}{sp2}C{ACY}=O{ACY}	Allenol - enone tautomerism in conjugated systems - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
492	phase I	1.0000000000	0	0	C{H}{ACY}=C{ACY}=O	-	-	C{ACY}#C{ACY}O{H}	Ketene - ynol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
491	phase I	1.0000000000	0	0	C{ACY}#C{ACY}O{H}	-	-	C{H}{ACY}=C{ACY}=O	Ynol - ketene tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
476	phase I	1.0000000000	0	0	O{ACY}{H}C=CC=C{acy}{sp1}	-	-	O{ACY}=CC=CC{H}{acy}{sp2}	Allenol - enone tautomerism in conjugated systems - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
475	phase I	1.0000000000	0	0	C(=CC=CO{H})C=C{ACY}{SP1}	-	-	C(C=CC=O)=CC{H}{acy}{sp2}	Allenol - enone tautomerism in conjugated systems - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
477	phase I	1.0000000000	0	0	C{ACY}(=C{ACY}{SP2})=C{ACY}=C{ACY}O{H}{ACY}	-	-	C{ACY}(C{H}{ACY}{SP2})#C{ACY}C{ACY}=O	Cumulenol - enyne-keto tautomerism in conjugated systems - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
478	phase I	1.0000000000	0	0	C{acy}{sp1}=C{ACY}=C{ACY}=C{ACY}=C{ACY}=C{ACY}O{ACY}{H}	-	-	C{ACY}{H}{SP2}C{ACY}#C{ACY}C{ACY}#C{ACY}C{ACY}=O	Cumulenol - enyne-keto tautomerism in conjugated systems - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
3	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{ACY}=N{ACY}{V3}	-	-	C{ACY}=C{ACY}N{H}{acy}{v3}	Imine - enamine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
1	phase I	1.0000000000	0	0	C{ACY}=C{ACY}N{H}{acy}{v3}	-	-	C{ACY}{H}{SP3}C{ACY}=N{ACY}{V3}	Enamine - imine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
198	phase I	1.0000000000	0	0	C{H}{SCY}{SP3}C{SCY}=N{v3}	-	-	C{scy}=C{SCY}N{H}{V3}	Imine - enamine tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
199	phase I	1.0000000000	0	0	C{scy}=C{SCY}N{H}{V3}	C{~1}1=C(N{H}{V3})C{~1}=CC{~1}=C1"~1EAG;1" C{~1}1=C(N{H}{V3})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	C1C(N{H}{V3})=CC=CC=1 C{H}1C(N{H}{V3})=C2C(=C{H}C{H}=1)C{H}=C{H}C{H}=C{H}2 C1=CC2=C(C=C1)N{H}{v3}CC=C2 C{H}1=C(N{H}{V3})C2=C(C{H}=C{H}1)C{H}=C{H}C{H}=C{H}2 C{H}1=C(N{H}{v3})C2C(C{H}=C{H}1)=C{H}C{H}=C{H}C{H}=2 c{H}1c(N{H}{V3})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C{~1}{@}1=C{~1}{@}C2=C(C{~1}{@}=C{~1}{@}1)N{H}{v3}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C{~1}{@}1C{~1}{@}=C2C(=C{~1}{@}C{~1}{@}=1)N{H}{v3}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C{SCY}(Sc1)(Sc1)=C{SCY}(N{H}{V3})Sc1  C12C(C=CC=C1)=CN{H}{v3}C=2 C1(C{ar})C(C{ar})=CN{H}{V3}C=1	C{H}{SCY}{SP3}C{SCY}=N{v3}	Enamine - imine tautomerism - 1,3-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
506	phase I	1.0000000000	0	0	C{~1}{@}1C(N{H}{acy}{v3})=CC{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C(=N{ACY}{V3})C{H}{SP3}C{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Enamine - imine tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
197	phase I	1.0000000000	0	0	C{~1}1=C(N{H}{acy}{v3})C{~1}=CC{~1}=C1"~1EAG;1"	-	-	C{~1}{H}{SP3}1C(=N{acy}{v3})C{~1}=CC{~1}=C1"~1EAG;1"	Enamine - imine tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
201	phase I	1.0000000000	0	0	C{~1}1=C(N{H}{acy}{v3})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}{H}{SP3}1C(=N{acy}{v3})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	Enamine - imine tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
235	phase I	1.0000000000	0	0	C1=C(N{H}{acy}{v3})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	C1=CC2C(C=C1)=CC1=C(C=2N{H}{acy}{v3})C=CC=C1 C{H}12C(=N{acy}{v3})c3c(C=C1C=CC=C2)cccc3 c1cc2c(cc1)cc1c(c2N{H}{acy}{v3})cccc1 C1(=N{acy}{v3})C{H}2C(C=CC=C2)=CC=C1	C{H}{sp3}1C(=N{ACY}{V3})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enamine - imine tautomerism - 1,3-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
276	phase I	1.0000000000	0	0	C1(N{H}{acy}{v3})=CC2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=N{ACY}{V3})C{H}{sp3}C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enamine - imine tautomerism - 1,3-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
275	phase I	1.0000000000	0	0	C1=C(N{H}{acy}{v3})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1C(=N{ACY}{V3})C2=C(C{H}{sp3}C=1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enamine - imine tautomerism - 1,5-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
192	phase I	1.0000000000	0	0	C{acy}=C{acy}C{acy}=C{acy}N{H}{acy}{v3}	-	-	C{H}{acy}{sp3}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	Enamine - imine tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
189	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	-	-	C{acy}=C{acy}C{acy}=C{acy}N{H}{acy}{v3}	Imine - enamine tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
188	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=C(N{H}{acy}{v3})C{~1}{@}=C{~1}{@}C=1"~@1Het1;C,N{>=1}"	-	C1=CC2=C(C=C1)N{~1}{@}=C(N{H}{ACY}{V3})C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C1=CC2C(C=C1)=N{~1}{@}C(N{H}{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=2"~@1Het1;C,N"	C{~1}{@}1=C{~1}{@}C(=N{acy}{v3})C{~1}{@}=C{~1}{@}C{H}{SP3}1"~@1Het1;C,N{>=1}"	Enamine - imine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
187	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=N{acy}{v3})C{~1}{@}=C{~1}{@}C{H}{SP3}1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C{~1}{@}=C(N{H}{acy}{v3})C{~1}{@}=C{~1}{@}C=1"~@1Het1;C,N{>=1}"	Imine - enamine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
282	phase I	1.0000000000	0	0	C{H}{acy}{sp3}N{acy}{v3}=C{acy}C{acy}=N{acy}{v3}	-	-	C{ACY}=N{ACY}{V3}C{ACY}=C{ACY}N{H}{ACY}{V3}	Imine - enamine tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
281	phase I	1.0000000000	0	0	C{ACY}=N{ACY}{V3}C{ACY}=C{ACY}N{H}{ACY}{V3}	-	-	C{H}{acy}{sp3}N{acy}{v3}=C{acy}C{acy}=N{acy}{v3}	Enamine - imine tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
126	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{scy}{v3}=C{scy}C{scy}=N{scy}{v3}	-	-	C{SCY}=N{SCY}{V3}C{SCY}=C{SCY}N{H}{SCY}{V3}	Imine - enamine tautomerism - 1,5-H shift(scy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
125	phase I	1.0000000000	0	0	C{SCY}=N{SCY}{V3}C{SCY}=C{SCY}N{H}{SCY}{V3}	-	-	C{H}{scy}{sp3}N{scy}{v3}=C{scy}C{scy}=N{scy}{v3}	Enamine - imine tautomerism - 1,5-H shift(scy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
518	phase I	1.0000000000	0	0	C1C=CN{H}{v3}C=1	-	-	C1=CC{H}{sp3}N{V3}=C1	Enamine - imine tautomerism - 1,5-H shift(scy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
517	phase I	1.0000000000	0	0	C1=CC{H}{sp3}N{V3}=C1	-	-	C1C=CN{H}{v3}C=1	Imine - enamine tautomerism - 1,5-H shift(scy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
223	phase I	1.0000000000	0	0	C{H}{acy}{sp3}N{acy}{v3}=C{acy}N{acy}{v3}=C{acy}	-	-	C{acy}=N{ACY}{V3}C{ACY}=N{ACY}{V3}C{H}{acy}{sp3}	Enimine(1) - enimine(2) tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
222	phase I	1.0000000000	0	0	C{acy}=N{ACY}{V3}C{ACY}=N{ACY}{V3}C{H}{acy}{sp3}	-	-	C{H}{acy}{sp3}N{acy}{v3}=C{acy}N{acy}{v3}=C{acy}	Enimine(2) - enimine(1) tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
128	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{scy}{v3}=C{scy}N{scy}{v3}=C{scy}	-	-	C{scy}{sp2}=N{SCY}{V3}C{SCY}=N{SCY}{V3}C{H}{scy}{sp3}	Enimine(1) - enimine(2) tautomerism - 1,5-H shift(scy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
127	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{scy}{v3}=C{scy}N{scy}{v3}=C{scy}	-	-	C{scy}=N{SCY}{V3}C{SCY}=N{SCY}{V3}C{H}{scy}{sp3}	Enimine(2) - enimine(1) tautomerism - 1,5-H shift(scy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
224	phase I	1.0000000000	0	0	N{H}{acy}{v3}C{SCY}=C{SCY}C{SCY}=C{SCY}	C{~1}1C{~1}=C(N{H}{V3})C{~1}=C{~1}C{~1}=1"~1EAG;1" C{~1}1C{~1}=C(N{H}{V3})C{~1}=C{~1}C{~1}=1"~1TG;1" C{~1}{@}1C{~1}{@}=C(N{H}{V3})C{~1}{@}=C{~1}{@}C=1"~@1Het1;C,N{>=1}" C12C(=C{~1}{@}Enum1C{~1}{@}=1)C=CC=C2"~@1Het1;C,N"	C1C(N{H}{V3})=CC=CC=1 C{H}1C(N{H}{V3})=C2C(=C{H}C{H}=1)C{H}=C{H}C{H}=C{H}2 c1(N{H})c2c(cccc2)ccc1 C1(N{H}{H}{v3})C2=C(C{H}=C{H}C{H}=1)C{H}=C{H}C{H}=C{H}2 C1(N{H}{acy}{v3})c2c(cccc2)C=CC=1 C1(N{ACY}{V3})C2C(C{~1}{@}=C{~1}{@}C{~1}{@}=1)=CC=CC=2"~@1Het1;C,N" C12=C(C{~1}{@}=C(N{H}{ACY}{H}{V3})C{~1}{@}=C{~1}{@}1)C=CC=C2"~@1Het1;C,N" C{~1}{@}1C2C(C{~1}{@}=C(N{H}{ACY}{V3})C{~1}{@}=1)=CC=CC=2"~@1Het1;C,N" c1cc2c(cc1)C=C(N{H}{v3})Enum12 C12C(C=C(N{H}{H}{v3})Enum11)=CC=CC=2 C12=C(C=C(N{H}{V3})Enum11)C=CC=C2 C12=C(C=C(N{H}{V3})Enum11)C=C1C(=C2)C=CC=C1 C12C(C=C(N{H}{V3})Enum11)=CC1C(C=2)=CC=CC=1 C12C(=CN{H}{v3}C=1)C=CC=C2	N{ACY}{V3}=C{SCY}C{SCY}=C{SCY}C{H}{scy}{sp3}	Enamine - imine tautomerism - 1,5-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
203	phase I	1.0000000000	0	0	N{ACY}{V3}=C{SCY}C{SCY}=C{SCY}C{H}{scy}{sp3}	-	-	N{H}{acy}{v3}C{SCY}=C{SCY}C{SCY}=C{SCY}	Imine - enamine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
230	phase I	1.0000000000	0	0	C{~1}1C{~1}=C(N{H}{acy}{v3})C{~1}=C{~1}C{~1}=1"~1EAG;1"	-	-	C{~1}1=C{~1}C(=N{acy}{v3})C{~1}=C{~1}C{~1}{H}{SP3}1"~1EAG;1"	Enamine - imine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
225	phase I	1.0000000000	0	0	C{~1}1C{~1}=C(N{H}{acy}{v3})C{~1}=C{~1}C{~1}=1"~1TG;1"	-	-	C{~1}1=C{~1}C(=N{acy}{v3})C{~1}=C{~1}C{~1}{H}{SP3}1"~1TG;1"	Enamine - imine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
104	phase I	1.0000000000	0	0	C{acy}(=C{acy}C{acy}=C{acy}N{ACY}{H}{V3})C{acy}=C{acy}{sp2}	-	-	C{ACY}(C{ACY}=C{ACY}C{ACY}=N{ACY}{V3})=CC{H}{ACY}{SP3}	Enamine - imine tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
498	phase I	1.0000000000	0	0	C{ACY}(C{ACY}=C{ACY}C{ACY}=N{ACY}{V3})=CC{H}{ACY}{SP3}	-	-	C{acy}(=C{acy}C{acy}=C{acy}N{ACY}{H}{V3})C{acy}=C{acy}{sp2}	Imine - enamine tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
277	phase I	1.0000000000	0	0	C(C=CC{SCY}=N{acy}{v3})=CC{H}{SCY}{SP3}	-	-	C(=CC=C{SCY}N{H}{ACY}{V3})C=C{scy}{sp2}	Imine - enamine tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
494	phase I	1.0000000000	0	0	C{H}{ACY}=C{ACY}=S	-	-	C{ACY}#C{ACY}S{H}	Thioketene - thioynol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
493	phase I	1.0000000000	0	0	C{ACY}#C{ACY}S{H}	-	-	C{H}{ACY}=C{ACY}=S	Thioynol - thioketene tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
8	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=S{V2}	-	C{ACY}{H}{SP3}C{ACY}(=S{V2})OO{H}	C{ACY}=C{ACY}S{H}{v2}	Thione - thiol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
10	phase I	1.0000000000	0	0	C{acy}=C{acy}S{H}{V2}	-	C{ACY}=C{ACY}(S{H}{V2})OO{H}	C{H}{ACY}{SP3}C{ACY}=S{V2}	Thiol - thione tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
231	phase I	1.0000000000	0	0	C{SCY}=C{SCY}S{H}{V2}	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1" C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	C1C=C(S{H}{V2})C=CC=1 c{H}1c(S{H}{V2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C{~1}{@}1=C{~1}{@}C(S{H}{V2})=C2C(=C{~1}{@}1)C=CC=C2"~@1Het1;C,N{>=1}" C{~1}{@}1C{~1}{@}=C(S{H}{V2})C2=C(C{~1}{@}=1)C=CC=C2"~@1Het1;C,N{>=1}" C1(S{H}{V2})C2=C(C{~1}{@}=C{~1}{@}C{~1}{@}=1)C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N{>=1}" C1(S{H}{V2})=C2C(=C{~1}{@}C{~1}{@}=C{~1}{@}1)C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N{>=1}" C1(S{H}{V2})C2=C(C{~1}{@}=C{~1}{@}C{~1}{@}=1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C1(S{H}{V2})=C2C(=C{~1}{@}C{~1}{@}=C{~1}{@}1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	C{H}{scy}{sp3}C{SCY}=S{V2}	Thiol - thione tautomerism - 1,3-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
249	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{SCY}=S{V2}	-	-	C{SCY}=C{SCY}S{H}{V2}	Thione - thiol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
185	phase I	1.0000000000	0	0	C1=C(S{H}{V2})C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N{>=1}"	-	C{~1}{@}1=C(S{H}{V2})C2=C(C{~1}{@}=C{~1}{@}1)C=CC=C2"~@1Het1;C,N{>=1}" C{~1}{@}1C(S{H}{V2})=C2C(=C{~1}{@}C{~1}{@}=1)C=CC=C2"~@1Het1;C,N{>=1}"	C{H}{sp3}1C(=S{V2})C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N{>=1}"	Thiol - thione tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
250	phase I	1.0000000000	0	0	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	-	-	C{~1}{H}{SP3}1C(=S{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	Thiol - thione tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
244	phase I	1.0000000000	0	0	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}{H}{SP3}1C(=S{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	Thiol - thione tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
445	phase I	1.0000000000	0	0	C1=C(S{H}{acy}{v2})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	C1(=S)C{H}2C(C=CC=C2)=CC=C1 c1cc2c(cc1)cc1c(c2S{H})cccc1 C{H}12C(=S)c3c(C=C1C=CC=C2)cccc3 C1=CC2C(C=C1)=CC1=C(C=2S{H})C=CC=C1	C{H}{SP3}1C(=S{ACY}{V2})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Thiol - thione tautomerism - 1,3-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
458	phase I	1.0000000000	0	0	C1(S{H}{acy}{v2})=CC2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=S{ACY}{V2})C{H}{sp3}C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Thiol - thione tautomerism - 1,3-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
459	phase I	1.0000000000	0	0	C1=C(S{H}{ACY}{V2})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1C(=S{ACY}{V2})C2=C(C{H}{sp3}C=1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Thiol - thione tautomerism - 1,5-H shift(fused-ring arenes)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
15	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{acy}=C{ACY}C{ACY}=S{V2}	-	C{ACY}{H}{SP3}C{ACY}=C{ACY}C{ACY}(=S{V2})OO{H}	C{acy}=C{acy}C{acy}=C{acy}S{H}{V2}	Thione - thiol tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
16	phase I	1.0000000000	0	0	C{acy}=C{acy}C{acy}=C{acy}S{H}{V2}	-	C{ACY}=C{ACY}C{ACY}=C{ACY}(S{H}{V2})OO{H}	C{ACY}{H}{SP3}C{acy}=C{ACY}C{ACY}=S{V2}	Thiol - thione tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
248	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=S{V2}	-	-	C{scy}=C{SCY}C{SCY}=C{SCY}S{H}{V2}	Thione - thiol tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
202	phase I	1.0000000000	0	0	C{scy}=C{SCY}C{SCY}=C{SCY}S{H}{V2}	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1" C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	c{~1}{@}1c(S{H}{V2})c2c(cc{~1}{@}1)cccc2"~@1Het1;C,N{>=1}" c{H}1c{H}c2c(c{H}c{H}1)c{H}c{H}c{H}c2S{H}{V2} C{~1}{@}1=C(S{H}{V2})C2=C(C=C{~1}{@}1)C=CC=C2"~@1Het1;C,N{>=1}" C{~1}{@}1C(S{H}{V2})=C2C(=CC{~1}{@}=1)C=CC=C2"~@1Het1;C,N{>=1}" C12C(C=C(S{H}{v2})Enum11)=CC=CC=2 c1cc2c(cc1)C=C(S{H}{v2})Enum12 C1=CC2=C(C=C1)C=C(S{H}{v2})Enum12 C1=C(S{H}{v2})C=CC=C1 C1=C(S{H}{v2})C=CC=C1	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=S{V2}	Thiol - thione tautomerism - 1,5-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
376	phase I	1.0000000000	0	0	C{~1}{@}1=C(S{H}{V2})C{~1}{@}=C{~1}{@}C=C{~1}{@}1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C(=S{V2})C{~1}{@}=C{~1}{@}C{H}{SP3}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Thiol - thione tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
285	phase I	1.0000000000	0	0	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	-	-	C{~1}1C(=S{V2})C{~1}=C{~1}C{~1}{H}{SP3}C{~1}=1"~1EAG;1"	Thiol - thione tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
269	phase I	1.0000000000	0	0	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}1C(=S{V2})C{~1}=C{~1}C{~1}{H}{SP3}C{~1}=1"~1TG;1"	Thiol - thione tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
20	phase I	1.0000000000	0	0	C(=CC{H}{SP3})C=CC=S{V2}	-	-	C(C=C)=CC=CS{H}{V2}	Thione - thiol tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
27	phase I	1.0000000000	0	0	C{acy}(C{acy}=C{acy})=C{acy}C{acy}=C{acy}S{H}{V2}	-	C{ACY}(C{ACY}=C{ACY})=C{ACY}C{ACY}=C{ACY}(S{H}{V2})OO{H}	C{acy}(=C{acy}C{H}{acy}{sp3})C{acy}=C{acy}C{acy}=S{V2}	Thiol - thione tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
23	phase I	1.0000000000	0	0	C{H}{ACY}{SP3}C{ACY}=[Se]{V2}	-	-	C{acy}=C{acy}[Se]{H}{V2}	Selenone - selenol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
24	phase I	1.0000000000	0	0	C{acy}=C{acy}[Se]{H}{V2}	-	-	C{H}{ACY}{SP3}C{ACY}=[Se]{V2}	Selenol - selenone tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
251	phase I	1.0000000000	0	0	C{H}{SCY}{SP3}C{scy}=[Se]{V2}	-	-	C{SCY}=C{SCY}[Se]{H}{V2}	Selenone - selenol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
7	phase I	1.0000000000	0	0	C{SCY}=C{SCY}[Se]{H}{V2}	C{~1}1=C([Se]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1" C{~1}1=C([Se]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	C1C([Se]{H}{V2})=CC=CC=1 c{H}1c([Se]{H}{V2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2	C{H}{SCY}{SP3}C{scy}=[Se]{V2}	Selenol - selenone tautomerism - 1,3-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
298	phase I	1.0000000000	0	0	C{~1}1=C([Se]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}{H}{sp3}1C(=[Se]{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	Selenol - selenone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
377	phase I	1.0000000000	0	0	C1=C([Se]{H}{V2})C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N{>=1}"	-	-	C{H}{sp3}1C(=[Se]{V2})C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N{>=1}"	Selenol - selenone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
297	phase I	1.0000000000	0	0	C{~1}1=C([Se]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	-	-	C{~1}{H}{SP3}1C(=[Se]{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	Selenol - selenone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
25	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=[Se]{V2}	-	-	C{acy}=C{acy}C{acy}=C{acy}[Se]{H}{V2}	Selenone - selenol tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
286	phase I	1.0000000000	0	0	C{acy}=C{acy}C{acy}=C{acy}[Se]{H}{V2}	-	-	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=[Se]{V2}	Selenol - selenone tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
26	phase I	1.0000000000	0	0	C{scy}=C{SCY}C{SCY}=C{SCY}[Se]{H}{V2}	C{~1}1=C([Se]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1" C{~1}1=C([Se]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	c1c([Se]{H}{V2})cccc1 c{H}1c([Se]{H}{V2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C1C=CC=CC=1[Se]{H}{v2} C1=C([Se]{H}{v2})C=CC=C1	C{H}{scy}{sp3}C{SCY}=C{SCY}C{SCY}=[Se]{V2}	Selenol - selenone tautomerism - 1,5-H shift(alicyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
200	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{SCY}=C{SCY}C{SCY}=[Se]{V2}	-	-	C{scy}=C{SCY}C{SCY}=C{SCY}[Se]{H}{V2}	Selenone - selenol tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
311	phase I	1.0000000000	0	0	C{~1}1=C([Se]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	-	-	C{~1}1C(=[Se]{V2})C{~1}=C{~1}C{~1}{H}{sp3}C{~1}=1"~1EAG;1"	Selenol - selenone tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
299	phase I	1.0000000000	0	0	C{~1}1=C([Se]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}1C(=[Se]{V2})C{~1}=C{~1}C{~1}{H}{SP3}C{~1}=1"~1TG;1"	Selenol - selenone tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
378	phase I	1.0000000000	0	0	C{~1}{@}1=C([Se]{H}{V2})C{~1}{@}=C{~1}{@}C=C{~1}{@}1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C(=[Se]{V2})C{~1}{@}=C{~1}{@}C{H}{sp3}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Selenol - selenone tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
106	phase I	1.0000000000	0	0	C(=CC{H}{sp3})C=CC=[Se]{V2}	-	-	C(C=C)=CC=C[Se]{H}{V2}	Selenone - selenol tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
105	phase I	1.0000000000	0	0	C{acy}(C{acy}=C{acy})=C{acy}C{acy}=C{acy}[Se]{H}{V2}	-	-	C{acy}(=C{acy}C{H}{acy}{sp3})C{acy}=C{acy}C{acy}=[Se]{V2}	Selenol - selenone tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
495	phase I	1.0000000000	0	0	C{ACY}#C{ACY}[Se]{H}{v2}	-	-	C{H}{ACY}=C{ACY}=[Se]{V2}	Selenoynol - selenoketene tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
33	phase I	1.0000000000	0	0	C{H}{ACY}{SP3}C{ACY}=[Te]{V2}	-	-	C{acy}=C{acy}[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
34	phase I	1.0000000000	0	0	C{acy}=C{acy}[Te]{H}{V2}	-	-	C{H}{ACY}{SP3}C{ACY}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
290	phase I	1.0000000000	0	0	C{SCY}=C{scy}[Te]{H}{V2}	C{~1}1=C([Te]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1" C{~1}1=C([Te]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	C1C([Te]{H}{v2})=CC=CC=1 c{H}1c([Te]{H}{v2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C1=C([Te]{H}{V2})C=CC=C1	C{H}{SCY}{SP3}C{SCY}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
496	phase I	1.0000000000	0	0	C{ACY}#C{ACY}[Te]{H}{v2}	-	-	C{H}{ACY}=C{ACY}=[Te]{V2}	Telluroynol - telluroketene tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
289	phase I	1.0000000000	0	0	C{H}{SCY}{SP3}C{SCY}=[Te]{V2}	-	-	C{SCY}=C{scy}[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
37	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=[Te]{V2}	-	-	C{acy}=C{acy}C{acy}=C{acy}[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
38	phase I	1.0000000000	0	0	C{acy}=C{acy}C{acy}=C{acy}[Te]{H}{V2}	-	-	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
292	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=[Te]{V2}	-	-	C{SCY}=C{SCY}C{SCY}=C{SCY}[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
291	phase I	1.0000000000	0	0	C{SCY}=C{SCY}C{SCY}=C{SCY}[Te]{H}{V2}	C{~1}1=C([Te]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1" C{~1}1=C([Te]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	C{H}1=C([Te]{H}{V2})C{H}=C{H}C{H}=C{H}1 c{H}1c([Te]{H}{V2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C1=C([Te]{H}{v2})C=CC=C1 C1C=CC=CC=1[Te]{H}{v2}	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
108	phase I	1.0000000000	0	0	C(=CC{H}{SP3})C=CC=[Te]{V2}	-	-	C(C=C)=CC=C[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
107	phase I	1.0000000000	0	0	C{acy}(C{acy}=C{acy})=C{acy}C{acy}=C{acy}[Te]{H}{V2}	-	-	C{acy}(=C{acy}C{H}{SP3})C{acy}=C{acy}C{acy}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
43	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=O	-	-	N{ACY}{V3}=C{ACY}O{H}	Amide - imidol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
5	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}O{H}	-	-	N{ACY}{H}{V3}C{ACY}=O	Imidol - amide tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
45	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=S{V2}	-	-	N{ACY}{V3}=C{ACY}S{H}{V2}	Thioamide - imidothiol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
318	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}S{H}{V2}	-	-	N{ACY}{H}{V3}C{ACY}=S{V2}	Imidothiol - thioamide tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
47	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=[Se]{V2}	-	-	N{ACY}{V3}=C{ACY}[Se]{H}{V2}	Selenoamide - imidoselenol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
326	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}[Se]{H}{V2}	-	-	N{ACY}{H}{V3}C{ACY}=[Se]{V2}	Imidoselenol - selenoamide tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
49	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=[Te]{V2}	-	-	N{ACY}{V3}=C{ACY}[Te]{H}{V2}	Telluroamide - imidotellurol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
332	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}[Te]{H}{V2}	-	-	N{ACY}{H}{V3}C{ACY}=[Te]{V2}	Imidotellurol - telluroamide tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
48	phase I	1.0000000000	0	0	C{SCY}(=O)N{H}{SCY}{V3}	-	-	C{SCY}(O{H})=N{SCY}{V3}	Lactam - lactim tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
51	phase I	1.0000000000	0	0	C{SCY}(O{H})=N{SCY}{V3}	-	-	C{SCY}(=O)N{H}{SCY}{V3}	Lactim - lactam tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
52	phase I	1.0000000000	0	0	C{SCY}(=S{V2})N{H}{SCY}{V3}	-	-	C{SCY}(S{H}{V2})=N{SCY}{V3}	Thiolactam - thiolactim tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
53	phase I	1.0000000000	0	0	C{SCY}(S{H}{V2})=N{SCY}{V3}	-	-	C{SCY}(=S{V2})N{H}{SCY}{V3}	Thiolactim - thiolactam tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
54	phase I	1.0000000000	0	0	C{SCY}(=[Se]{V2})N{H}{SCY}{V3}	-	-	C{SCY}([Se]{H}{V2})=N{SCY}{V3}	Selenolactam - selenolactim tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
55	phase I	1.0000000000	0	0	C{SCY}([Se]{H}{V2})=N{SCY}{V3}	-	-	C{SCY}(=[Se]{V2})N{H}{SCY}{V3}	Selenolactim - selenolactam tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
56	phase I	1.0000000000	0	0	C{SCY}(=[Te]{V2})N{H}{SCY}{V3}	-	-	C{SCY}([Te]{H}{V2})=N{SCY}{V3}	Tellurolactam - tellurolactim tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
57	phase I	1.0000000000	0	0	C{SCY}([Te]{H}{V2})=N{SCY}{V3}	-	-	C{SCY}(=[Te]{V2})N{H}{SCY}{V3}	Tellurolactim - tellurolactam tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
66	phase I	1.0000000000	0	0	C{H}{acy}{sp3}N{ACY}{V5}(=O)=O	-	-	C{acy}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
67	phase I	1.0000000000	0	0	C{acy}=N{ACY}{V5}(=O)O{H}	-	-	C{H}{acy}{sp3}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
516	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)N{ACY}{V5}(=O)=O	-	-	N{ACY}{V3}(C)=N{ACY}{V5}(=O)O{H}	N-nitramine - aci-nitroimine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
515	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=N{ACY}{V5}(=O)O{H}	-	-	N{H}{ACY}{V3}(C)N{ACY}{V5}(=O)=O	Aci-nitroimine - N-nitramine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
381	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{ACY}{V5}(=O)=O	-	-	C{scy}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
380	phase I	1.0000000000	0	0	C{scy}=N{ACY}{V5}(=O)O{H}	-	-	C{H}{scy}{sp3}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
383	phase I	1.0000000000	0	0	C(C{ACY}{H}{SP3})=CN{ACY}{V5}(=O)=O	-	C{SCY}(C{H}{acy}{sp3})=C{SCY}N{ACY}{V5}(=O)=O	C(=C{ACY})C=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
382	phase I	1.0000000000	0	0	C(=C{ACY})C=N{ACY}{V5}(=O)O{H}	-	C{SCY}(=C{ACY})C{SCY}=N{ACY}{V5}(=O)O{H}	C(C{ACY}{H}{SP3})=CN{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
70	phase I	1.0000000000	0	0	C{SCY}(C{H}{acy}{sp3})=C{SCY}N{ACY}{V5}(=O)=O	-	-	C{SCY}(=C{ACY})C{SCY}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
71	phase I	1.0000000000	0	0	C{SCY}(=C{ACY})C{SCY}=N{ACY}{V5}(=O)O{H}	-	-	C{SCY}(C{H}{acy}{sp3})=C{SCY}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
333	phase I	1.0000000000	0	0	C(O{H})=CN{ACY}{V5}(=O)=O	-	C{SCY}(O{H})=C{SCY}N{ACY}{V5}(=O)=O	C(=O)C=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
72	phase I	1.0000000000	0	0	C(=O)C=N{ACY}{V5}(=O)O{H}	-	C{SCY}(=O)C{SCY}=N{ACY}{V5}(=O)O{H}	C(O{H})=CN{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
385	phase I	1.0000000000	0	0	C{SCY}(O{H})=C{SCY}N{ACY}{V5}(=O)=O	-	-	C{SCY}(=O)C{SCY}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(OH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
384	phase I	1.0000000000	0	0	C{SCY}(=O)C{SCY}=N{ACY}{V5}(=O)O{H}	-	-	C{SCY}(O{H})=C{SCY}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(OH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
73	phase I	1.0000000000	0	0	C{scy}(N{ACY}{H}{V3})=C{scy}N{ACY}{V5}(=O)=O	-	-	C{SCY}(=N{ACY}{V3})C{SCY}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(NH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
74	phase I	1.0000000000	0	0	C{SCY}(=N{ACY}{V3})C{SCY}=N{ACY}{V5}(=O)O{H}	-	-	C{scy}(N{ACY}{H}{V3})=C{scy}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(NH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
371	phase I	1.0000000000	0	0	C(N{ACY}{H}{V3})=CN{ACY}{V5}(=O)=O	-	C{scy}(N{ACY}{H}{V3})=C{scy}N{ACY}{V5}(=O)=O	C(=N{ACY}{V3})C=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(NH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
351	phase I	1.0000000000	0	0	C(=N{ACY}{V3})C=N{ACY}{V5}(=O)O{H}	-	C{SCY}(=N{ACY}{V3})C{SCY}=N{ACY}{V5}(=O)O{H}	C(N{ACY}{H}{V3})=CN{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(NH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
393	phase I	1.0000000000	0	0	C(S{H}{v2})=CN{ACY}{V5}(=O)=O	-	C{scy}(S{ACY}{H}{V2})=C{scy}N{ACY}{V5}(=O)=O	C(=S{V2})C=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
392	phase I	1.0000000000	0	0	C(=S{V2})C=N{ACY}{V5}(=O)O{H}	-	C{SCY}(=S{ACY}{V2})C{SCY}=N{ACY}{V5}(=O)O{H}	C(S{H}{v2})=CN{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
30	phase I	1.0000000000	0	0	C{scy}(S{ACY}{H}{V2})=C{scy}N{ACY}{V5}(=O)=O	-	-	C{SCY}(=S{ACY}{V2})C{SCY}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(SH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
29	phase I	1.0000000000	0	0	C{SCY}(=S{ACY}{V2})C{SCY}=N{ACY}{V5}(=O)O{H}	-	-	C{scy}(S{ACY}{H}{V2})=C{scy}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(SH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
399	phase I	1.0000000000	0	0	C(N{ACY}{V5}(=O)=O)=CC=CO{H}	-	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(O{H})C=1"~1EAG;1"	C(=N{ACY}{V5}(=O)O{H})C=CC=O	Nitro - aci-nitro tautomerism - 1,7-H shift(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
396	phase I	1.0000000000	0	0	C(=N{ACY}{V5}(=O)O{H})C=CC=O	-	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=O)C=1"~1EAG;1"	C(N{ACY}{V5}(=O)=O)=CC=CO{H}	Aci-nitro - nitro tautomerism - 1,7-H shift(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
395	phase I	1.0000000000	0	0	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(O{H})C=1"~1EAG;1"	-	-	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=O)C=1"~1EAG;1"	Nitro - aci-nitro tautomerism - 1,7-H shift(o-EWG-Hbond)(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
394	phase I	1.0000000000	0	0	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=O)C=1"~1EAG;1"	-	-	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(O{H})C=1"~1EAG;1"	Aci-nitro - nitro tautomerism - 1,7-H shift(o-EWG-Hbond)(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
401	phase I	1.0000000000	0	0	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	-	-	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=S{V2})C=1"~1EAG;1"	Nitro - aci-nitro tautomerism - 1,7-H shift(o-EWG-Hbond)(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
400	phase I	1.0000000000	0	0	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=S{V2})C=1"~1EAG;1"	-	-	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	Aci-nitro - nitro tautomerism - 1,7-H shift(o-EWG-Hbond)(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
403	phase I	1.0000000000	0	0	C(N{ACY}{V5}(=O)=O)=CC=CS{H}{V2}	-	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	C(=N{ACY}{V5}(O{H})=O)C=CC=S{V2}	Nitro - aci-nitro tautomerism - 1,7-H shift(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
402	phase I	1.0000000000	0	0	C(=N{ACY}{V5}(O{H})=O)C=CC=S{V2}	-	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=S{V2})C=1"~1EAG;1"	C(N{ACY}{V5}(=O)=O)=CC=CS{H}{V2}	Aci-nitro - nitro tautomerism - 1,7-H shift(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
497	phase I	1.0000000000	0	0	C(N{ACY}{V5}(=O)=O)=CC=CC{H}{sp3}	-	-	C(=N{ACY}{V5}(O{H})=O)C=CC=C{SP2}	Nitro - aci-nitro tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
278	phase I	1.0000000000	0	0	C(=N{ACY}{V5}(O{H})=O)C=CC=C{SP2}	-	-	C(N{ACY}{V5}(=O)=O)=CC=CC{H}{sp3}	Aci-nitro - nitro tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
75	phase I	1.0000000000	0	0	C{H}{acy}{sp3}N{ACY}{V3}=O	-	-	C{acy}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
76	phase I	1.0000000000	0	0	C{acy}=N{ACY}{V3}O{H}	-	-	C{H}{acy}{sp3}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
405	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{ACY}{V3}=O	-	-	C{scy}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
404	phase I	1.0000000000	0	0	C{scy}=N{ACY}{V3}O{H}	-	-	C{H}{scy}{sp3}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
77	phase I	1.0000000000	0	0	N{H}{acy}{sp3}{v3}N{acy}{v3}=O	-	-	N{ACY}{V3}=N{ACY}{V3}O{H}	N-Nitrosoamine - oxime tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
78	phase I	1.0000000000	0	0	N{ACY}{V3}=N{ACY}{V3}O{H}	-	-	N{H}{acy}{sp3}{v3}N{acy}{v3}=O	Oxime - N-Nitroso tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
501	phase I	1.0000000000	0	0	N{ACY}{H}{SP3}{V3}N{ACY}{V3}=S{v2}	-	-	N{ACY}{V3}=N{ACY}{V3}S{H}{V2}	N-thionitrosoamine - thiooxime tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
500	phase I	1.0000000000	0	0	N{ACY}{V3}=N{ACY}{V3}S{H}{V2}	-	-	N{ACY}{H}{SP3}{V3}N{ACY}{V3}=S{v2}	Thiooxime - N-thionitrosoamine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
503	phase I	1.0000000000	0	0	N{H}{ACY}{SP3}{V3}N{ACY}{V3}=[Se]{v2}	-	-	N{acy}{v3}=N{ACY}{V3}[Se]{H}{V2}	N-selenonitrosoamine - thiooxime tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
502	phase I	1.0000000000	0	0	N{acy}{v3}=N{ACY}{V3}[Se]{H}{V2}	-	-	N{H}{ACY}{SP3}{V3}N{ACY}{V3}=[Se]{v2}	Thiooxime - N-selenonitrosoamine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
505	phase I	1.0000000000	0	0	N{ACY}{H}{SP3}{V3}N{ACY}{V3}=[Te]{v2}	-	-	N{ACY}{V3}=N{ACY}{V3}[Te]{H}{V2}	N-telluronitrosoamine - thiooxime tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
504	phase I	1.0000000000	0	0	N{ACY}{V3}=N{ACY}{V3}[Te]{H}{V2}	-	-	N{ACY}{H}{SP3}{V3}N{ACY}{V3}=[Te]{v2}	Thiooxime - N-telluronitrosoamine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
36	phase I	1.0000000000	0	0	C(C=CO{H})=CN{V3}=O	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1O{H}"~1EAG;1"	C(=CC=O)C=N{V3}O{H}	Nitroso - oxime tautomerism - 1,7-H shift(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
35	phase I	1.0000000000	0	0	C(=CC=O)C=N{V3}O{H}	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=O"~1EAG;1"	C(C=CO{H})=CN{V3}=O	Oxime - nitroso tautomerism - 1,7-H shift(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
407	phase I	1.0000000000	0	0	C1C{~1}=C(N{V3}=O)C{~1}=CC=1O{H}"~1EAG;1"	-	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=O"~1EAG;1"	Nitroso - oxime tautomerism - 1,7-H shift(o-EWG-Hbond)(arenols)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
406	phase I	1.0000000000	0	0	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=O"~1EAG;1"	-	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1O{H}"~1EAG;1"	Oxime - nitroso tautomerism - 1,7-H shift(o-EWG-Hbond)(arenols)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
109	phase I	1.0000000000	0	0	C1C{~1}=C(N{V3}=O)C{~1}=CC=1S{H}{v2}"~1EAG;1"	-	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=S{v2}"~1EAG;1"	Nitroso - oxime tautomerism - 1,7-H shift(o-EWG-Hbond)(arenethiols)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
90	phase I	1.0000000000	0	0	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=S{v2}"~1EAG;1"	-	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1S{H}{v2}"~1EAG;1"	Oxime - nitroso tautomerism - 1,7-H shift(o-EWG-Hbond)(arenethiols)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
40	phase I	1.0000000000	0	0	C(C=CS{H}{v2})=CN{V3}=O	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1S{H}{v2}"~1EAG;1"	C(=CC=S{V2})C=N{V3}O{H}	Nitroso - oxime tautomerism - 1,7-H shift(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
39	phase I	1.0000000000	0	0	C(=CC=S{V2})C=N{V3}O{H}	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=S{v2}"~1EAG;1"	C(C=CS{H}{v2})=CN{V3}=O	Oxime - nitroso tautomerism - 1,7-H shift(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
510	phase I	1.0000000000	0	0	C(=CC=N{ACY}{V3})C=N{V3}O{H}	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=N{ACY}{V3}"~1EAG;1"	C(C=CN{H}{acy}{v3})=CN{V3}=O	Oxime - nitroso tautomerism - 1,7-H shift(NH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
509	phase I	1.0000000000	0	0	C(C=CN{H}{acy}{v3})=CN{V3}=O	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1N{ACY}{H}{V3}"~1EAG;1"	C(=CC=N{ACY}{V3})C=N{V3}O{H}	Nitroso - oxime tautomerism - 1,7-H shift(NH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
512	phase I	1.0000000000	0	0	C1C{~1}=C(N{V3}=O)C{~1}=CC=1N{ACY}{H}{V3}"~1EAG;1"	-	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=N{ACY}{V3}"~1EAG;1"	Nitroso - oxime tautomerism - 1,7-H shift(o-EWG-Hbond)(arenamines)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
511	phase I	1.0000000000	0	0	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=N{ACY}{V3}"~1EAG;1"	-	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1N{ACY}{H}{V3}"~1EAG;1"	Oxime - nitroso tautomerism - 1,7-H shift(o-EWG-Hbond)(arenamines)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
409	phase I	1.0000000000	0	0	O{H}C=CN{ACY}{V3}=O	-	O{H}C{SCY}=C{SCY}N{ACY}{V3}=O	O=CC=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
408	phase I	1.0000000000	0	0	O=CC=N{ACY}{V3}O{H}	-	O=C{scy}C{scy}=N{ACY}{V3}O{H}	O{H}C=CN{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
112	phase I	1.0000000000	0	0	O=C{scy}C{scy}=N{ACY}{V3}O{H}	-	-	O{H}C{SCY}=C{SCY}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(OH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
110	phase I	1.0000000000	0	0	O{H}C{SCY}=C{SCY}N{ACY}{V3}=O	-	-	O=C{scy}C{scy}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(OH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
412	phase I	1.0000000000	0	0	N{ACY}{V3}=C{scy}C{scy}=N{ACY}{V3}O{H}	-	-	N{H}{ACY}{V3}C{SCY}=C{SCY}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(NH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
415	phase I	1.0000000000	0	0	N{H}{ACY}{V3}C{SCY}=C{SCY}N{ACY}{V3}=O	-	-	N{ACY}{V3}=C{scy}C{scy}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(NH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
65	phase I	1.0000000000	0	0	N{ACY}{V3}=CC=N{ACY}{V3}O{H}	-	N{ACY}{V3}=C{scy}C{scy}=N{ACY}{V3}O{H}	N{H}{ACY}{V3}C=CN{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(NH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
413	phase I	1.0000000000	0	0	N{H}{ACY}{V3}C=CN{ACY}{V3}=O	-	N{H}{ACY}{V3}C{SCY}=C{SCY}N{ACY}{V3}=O	N{ACY}{V3}=CC=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(NH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
411	phase I	1.0000000000	0	0	S{H}{V2}C{scy}=C{scy}N{ACY}{V3}=O	-	-	S{V2}=C{SCY}C{SCY}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(SH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
410	phase I	1.0000000000	0	0	S{V2}=C{SCY}C{SCY}=N{ACY}{V3}O{H}	-	-	S{H}{V2}C{scy}=C{scy}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(SH)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
32	phase I	1.0000000000	0	0	S{H}{V2}C=CN{ACY}{V3}=O	-	S{H}{V2}C{scy}=C{scy}N{ACY}{V3}=O	S{V2}=CC=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
31	phase I	1.0000000000	0	0	S{V2}=CC=N{ACY}{V3}O{H}	-	S{V2}=C{SCY}C{SCY}=N{ACY}{V3}O{H}	S{H}{V2}C=CN{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
337	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(O{H})=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=O)N{H}{V3}1"~@1Het1;C,N"	1,3-H shift in N-heteroarenols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
92	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=O)N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(O{H})=N{V3}1"~@1Het1;C,N"	1,3-H shift in N-heteroarenols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
339	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(S{H}{v2})=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=S{V2})N{H}{V3}1"~@1Het1;C,N"	1,3-H shift in N-heterothiols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
338	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=S{V2})N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(S{H}{v2})=N{V3}1"~@1Het1;C,N"	1,3-H shift in N-heterothiols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
452	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(C{H}{ACY}{SP3})=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=C{acy}{sp2})N{H}{V3}1"~@1Het1;C,N"	1,3-H shift in alkyl-N-heteroarenes	1.0000				0			Constant		Undefined	0	0	0	0	0		00
387	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=C{acy}{sp2})N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(C{H}{ACY}{SP3})=N{V3}1"~@1Het1;C,N"	1,3-H shift in alkyl-N-heteroarenes	1.0000				0			Constant		Undefined	0	0	0	0	0		00
343	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(O{H})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=O)C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	1,5-H shift in N-heteroarenols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
342	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=O)C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(O{H})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	1,5-H shift in N-heteroarenols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
341	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(N{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	1,5-H shift in N-heterocyclic amines	1.0000				0			Constant		Undefined	0	0	0	0	0		00
340	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(N{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	1,5-H shift in N-heterocyclic amines	1.0000				0			Constant		Undefined	0	0	0	0	0		00
485	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(N{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	1,5-H shift in N-heterothiols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
453	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(N{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	1,5-H shift in N-heterothiols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
507	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(C{H}{acy}{sp3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=C{ACY}{SP2})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	1,5-H shift in alkyl-N-heteroarenes	1.0000				0			Constant		Undefined	0	0	0	0	0		00
508	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=C{ACY}{SP2})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(C{H}{acy}{sp3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	1,5-H shift in alkyl-N-heteroarenes	1.0000				0			Constant		Undefined	0	0	0	0	0		00
123	phase I	1.0000000000	0	0	N{V3}=CN{H}{V3}	-	-	N{H}{V3}C=N{V3}	Amine - imine tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
122	phase I	1.0000000000	0	0	N{H}{V3}C=N{V3}	-	-	N{V3}=CN{H}{V3}	Imine - amine tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
134	phase I	1.0000000000	0	0	N{V3}(C)=N{V3}N{H}{V3}C	-	-	N{H}{V3}(C)N{V3}=N{V3}C	Amino-diazo - diazo-amino tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
133	phase I	1.0000000000	0	0	N{H}{V3}(C)N{V3}=N{V3}C	-	-	N{V3}(C)=N{V3}N{H}{V3}C	Diazo-amino - amino-diazo tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
280	phase I	1.0000000000	0	0	N{H}{acy}{v3}=N{acy}{v3}N{H}{acy}{v3}C	-	-	N{H2}{ACY}{V3}N{ACY}{V3}=N{ACY}{V3}C	Amino-diazo - diazo-amino tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
279	phase I	1.0000000000	0	0	N{H2}{ACY}{V3}N{ACY}{V3}=N{ACY}{V3}C	-	-	N{H}{acy}{v3}=N{acy}{v3}N{H}{acy}{v3}C	Diazo-amino - amino-diazo tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
140	phase I	1.0000000000	0	0	CN{H}{acy}{v3}P{ACY}{V3}=N{acy}{v3}	-	-	CN{acy}{v3}=P{ACY}{V3}N{H}{acy}{v3}	Phosphenimidamide(1) - phosphenimidamide(2) tautomerism - 1,3 H-shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
146	phase I	1.0000000000	0	0	CN{acy}{v3}=P{ACY}{V3}N{H}{acy}{v3}	-	-	CN{H}{acy}{v3}P{ACY}{V3}=N{acy}{v3}	Phosphenimidamide(2) - phosphenimidamide(1) tautomerism - 1,3 H-shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
145	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=P{ACY}{V3}O{H}	-	-	N{H}{ACY}{V3}(C)P{ACY}{V3}=O	Phosphenous imidol - phosphenous amide tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
144	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)P{ACY}{V3}=O	-	-	N{ACY}{V3}(C)=P{ACY}{V3}O{H}	Phosphenous amide - phosphenous imidol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
143	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=P{ACY}{V3}S{H}{V2}	-	-	N{H}{ACY}{V3}(C)P{ACY}{V3}=S{V2}	Phosphenous imidothiol - phosphenous thioamide tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
142	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)P{ACY}{V3}=S{V2}	-	-	N{ACY}{V3}(C)=P{ACY}{V3}S{H}{V2}	Phosphenous thioamide - phosphenous imidothiol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
141	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=P{ACY}{V3}[Se]{H}{V2}	-	-	N{H}{ACY}{V3}(C)P{ACY}{V3}=[Se]{V2}	Phosphenous imidoselenol - phosphenous selenoamide tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
139	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)P{ACY}{V3}=[Se]{V2}	-	-	N{ACY}{V3}(C)=P{ACY}{V3}[Se]{H}{V2}	Phosphenous selenoamide - phosphenous imidoselenol tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
138	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=P{ACY}{V3}[Te]{H}{V2}	-	-	N{H}{ACY}{V3}(C)P{ACY}{V3}=[Te]{V2}	Phosphenous imidotellurol - phosphenous telluroamide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
137	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)P{ACY}{V3}=[Te]{V2}	-	-	N{ACY}{V3}(C)=P{ACY}{V3}[Te]{H}{V2}	Phosphenous telluroamide - phosphenous imidotellurol  tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
152	phase I	1.0000000000	0	0	C1=N{~1}{@}N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	C12=C(N{H}{V3}C{~1}{@}=C{~1}{@}1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C12C(N{H}{V3}C{~1}{@}=C{~1}{@}1)=C{~1}{@}C{~1}{@}=C{~1}{@}C{~1}{@}=2"~@1Het1;C,N" C12C(C=CC=C1)=CN{H}{v3}C=2 C12C(C=C3C(C=CC=C3)=C1)=CN{H}{v3}C=2	C{H}1N{~1}{@}=N{v3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,3-Heteroatom H-shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
151	phase I	1.0000000000	0	0	C{H}1N{~1}{@}=N{v3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	-	C1=N{~1}{@}N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,3-Heteroatom H-shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
89	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=N{V3}N{H}{V3}C{~1}{@}=1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}N{H}{V3}N{V3}=C{~1}{@}1"~@1Het1;C,N"	1,5-Aroheteroatom H-shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
88	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}N{H}{V3}N{V3}=C{~1}{@}1"~@1Het1;C,N"	-	-	C{~1}{@}1C{~1}{@}=N{V3}N{H}{V3}C{~1}{@}=1"~@1Het1;C,N"	1,5-Aroheteroatom H-shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
150	phase I	1.0000000000	0	0	O{H}C=CC=O	-	O{H}C=CC(=O)CG O=C{SCY}C{SCY}=C{ACY}O{H}	O=CC=CO{H}	1,5-H shift in O,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
149	phase I	1.0000000000	0	0	O=CC=CO{H}	-	O=CC=C(O{H})CG O{H}C{SCY}=C{SCY}C{acy}=O	O{H}C=CC=O	1,5-H shift in O,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
86	phase I	1.0000000000	0	0	O{H}C{SCY}=C{SCY}C{H}{acy}=O	-	O{H}C{SCY}(CG)=C{SCY}C{ACY}{H}=O	O=C{SCY}C{SCY}=C{ACY}{H}O{H}	1,5-H shift in O,O-conjugated sysmems(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
68	phase I	1.0000000000	0	0	O=C{SCY}C{SCY}=C{ACY}{H}O{H}	-	O=C{SCY}(CG)C{SCY}=C{ACY}{H}O{H}	O{H}C{SCY}=C{SCY}C{H}{acy}=O	1,5-H shift in O,O-conjugated sysmems(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
160	phase I	1.0000000000	0	0	O{H}C=CC=S{acy}{v2}	-	O{H}C(CG)=CC=S{ACY}{V2} O{H}C{H}{acy}=C{SCY}C{scy}=S{ACY}{V2}	O=CC=CS{H}{V2}	1,5-H shift in O,S-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
159	phase I	1.0000000000	0	0	O=CC=CS{H}{V2}	-	O=C(CG)C=CS{H}{V2} O=C{ACY}{H}C{SCY}=C{SCY}S{H}{ACY}{V2}	O{H}C=CC=S{acy}{v2}	1,5-H shift in S,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
312	phase I	1.0000000000	0	0	O{H}C{H}{acy}=C{SCY}C{scy}=S{ACY}{V2}	-	-	O=C{ACY}{H}C{SCY}=C{SCY}S{H}{ACY}{V2}	1,5-H shift in O,S-conjugated sysmems(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
87	phase I	1.0000000000	0	0	O=C{ACY}{H}C{SCY}=C{SCY}S{H}{ACY}{V2}	-	-	O{H}C{H}{SCY}=C{SCY}C{ACY}=S{ACY}{V2}	1,5-H shift in S,O-conjugated sysmems(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
158	phase I	1.0000000000	0	0	O{H}C{ACY}=C{ACY}C{ACY}=[Se]{V2}	-	-	O=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	1,5-H shift in O,Se-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
157	phase I	1.0000000000	0	0	O=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	-	-	O{H}C{ACY}=C{ACY}C{ACY}=[Se]{v2}	1,5-H shift in Se,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
156	phase I	1.0000000000	0	0	O{H}C{ACY}=C{ACY}C{ACY}=[Te]{V2}	-	-	O=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	1,5-H shift in O,Te-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
155	phase I	1.0000000000	0	0	O=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	-	-	O{H}C{ACY}=C{ACY}C{ACY}=[Te]{v2}	1,5-H shift in Te,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
154	phase I	1.0000000000	0	0	O{H}C=CC=N{ACY}{V3}	-	O{H}C{scy}=C{scy}C{acy}=N{ACY}{V3}	O=CC=CN{H}{ACY}{V3}	Enol-imine - keto-amine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
153	phase I	1.0000000000	0	0	O=CC=CN{H}{ACY}{V3}	-	O=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	O{H}C=CC=N{ACY}{V3}	Keto-amine - nol-imine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
372	phase I	1.0000000000	0	0	O{H}C{scy}=C{scy}C{acy}=N{ACY}{V3}	-	-	O=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	Enol-imine - keto-amine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
330	phase I	1.0000000000	0	0	O=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	-	-	O{H}C{scy}=C{scy}C{acy}=N{ACY}{V3}	Keto-amine - nol-imine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
167	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}=C{ACY}C{ACY}=S{V2}	-	-	S{v2}=C{ACY}C{ACY}=C{ACY}S{H}{v2}	1,5-H shift in S,S-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
166	phase I	1.0000000000	0	0	S{v2}=C{ACY}C{ACY}=C{ACY}S{H}{v2}	-	-	S{H}{v2}C{ACY}=C{ACY}C{ACY}=S{v2}	1,5-H shift in S,S-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
165	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}=C{ACY}C{ACY}=[Se]{v2}	-	-	S{v2}=CC{ACY}=C{ACY}[Se]{H}{v2}	1,5-H shift in S,Se-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
164	phase I	1.0000000000	0	0	S{v2}=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	-	-	S{H}{v2}C{ACY}=C{ACY}C{ACY}=[Se]{v2}	1,5-H shift in Se,S-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
163	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}=C{ACY}C{ACY}=[Te]{v2}	-	-	S{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	1,5-H shift in S,Te-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
162	phase I	1.0000000000	0	0	S{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	-	-	S{H}{v2}C{ACY}=C{ACY}C{ACY}=[Te]{v2}	1,5-H shift in Te,S-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
161	phase I	1.0000000000	0	0	S{H}{V2}C=CC=N{ACY}{V3}	-	S{H}{V2}C{scy}=C{scy}C{acy}=N{ACY}{V3}	S{V2}=CC=CN{H}{ACY}{V3}	Thiol-imine - thione-amine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
41	phase I	1.0000000000	0	0	S{V2}=CC=CN{H}{ACY}{V3}	-	S{V2}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	S{H}{V2}C=CC=N{ACY}{V3}	Thione-amine - thiol-imine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
329	phase I	1.0000000000	0	0	S{H}{V2}C{scy}=C{scy}C{acy}=N{ACY}{V3}	-	-	S{V2}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	Thiol-imine - thione-amine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
325	phase I	1.0000000000	0	0	S{V2}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	-	-	S{H}{V2}C{scy}=C{scy}C{acy}=N{ACY}{V3}	Thione-amine - thiol-imine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
175	phase I	1.0000000000	0	0	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Se]{H}{V2}	-	-	[Se]{H}{V2}C{ACY}=C{ACY}C{ACY}=[Se]{V2}	1,5-H shift in Se,Se-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
174	phase I	1.0000000000	0	0	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	-	-	[Se]{H}{V2}C{ACY}=C{ACY}C{ACY}=[Se]{V2}	1,5-H shift in Se,Se-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
173	phase I	1.0000000000	0	0	[Se]{H}{v2}C=C{ACY}C{ACY}=[Te]{v2}	-	-	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	1,5-H shift in Se,Te-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
172	phase I	1.0000000000	0	0	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	-	-	[Se]{H}{v2}C=C{ACY}C{ACY}=[Te]{v2}	1,5-H shift in Te,Se-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
171	phase I	1.0000000000	0	0	[Se]{H}{v2}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	-	-	[Se]{v2}=C{ACY}C{ACY}=C{ACY}N{ACY}{H}{V3}	1,5-H shift in Se,N-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
170	phase I	1.0000000000	0	0	[Se]{v2}=C{ACY}C{ACY}=C{ACY}N{ACY}{H}{V3}	-	-	[Se]{H}{v2}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	1,5-H shift in N,Se-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
62	phase I	1.0000000000	0	0	[Se]{H}{V2}C{scy}=C{scy}C{scy}=N{scy}{v3}	-	-	[Se]{V2}=C{SCY}C{SCY}=C{SCY}N{H}{SCY}{V3}	1,5-H shift in Se,N-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
2	phase I	1.0000000000	0	0	[Se]{V2}=C{SCY}C{SCY}=C{SCY}N{H}{SCY}{V3}	-	-	[Se]{H}{V2}C{scy}=C{scy}C{scy}=N{scy}{v3}	1,5-H shift in N,Se-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
183	phase I	1.0000000000	0	0	[Te]{H}{v2}C{ACY}=C{ACY}C{ACY}=[Te]{V2}	-	-	[Te]{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	1,5-H shift in Te,Te-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
182	phase I	1.0000000000	0	0	[Te]{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	-	-	[Te]{H}{v2}C{ACY}=C{ACY}C{ACY}=[Te]{v2}	1,5-H shift in Te,Te-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
181	phase I	1.0000000000	0	0	[Te]{H}{v2}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	-	-	[Te]{v2}=C{ACY}C{ACY}=C{ACY}N{ACY}{H}{V3}	1,5-H shift in Te,N-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
180	phase I	1.0000000000	0	0	[Te]{v2}=C{ACY}C{ACY}=C{ACY}N{ACY}{H}{V3}	-	-	[Te]{H}{v2}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	1,5-H shift in N,Te-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
191	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C=CC=N{ACY}{V3}	-	N{ACY}{H}{V3}C{scy}=C{scy}C{acy}=N{ACY}{V3}	N{ACY}{V3}=CC=CN{ACY}{H}{V3}	Imino-amine - enamine-imine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
80	phase I	1.0000000000	0	0	N{ACY}{V3}=CC=CN{ACY}{H}{V3}	-	N{ACY}{V3}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	N{ACY}{H}{V3}C=CC=N{ACY}{V3}	Enamine-imine - imino-amine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
379	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{scy}=C{scy}C{acy}=N{ACY}{V3}	-	-	N{ACY}{V3}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	Imino-amine - enamine-imine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
374	phase I	1.0000000000	0	0	N{ACY}{V3}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	-	-	N{ACY}{H}{V3}C{scy}=C{scy}C{acy}=N{ACY}{V3}	Enamine-imine - imino-amine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
178	phase I	1.0000000000	0	0	C{scy}(N{H}{SP3})=HA17C{SCY}=C{SCY}C{SCY}=N{SCY}{V3}	-	-	C{SCY}(=N)HA17=C{SCY}C{SCY}=C{SCY}N{H}{SCY}{V3}	1,5-H shift in N,N-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
177	phase I	1.0000000000	0	0	C{SCY}(=N)HA17=C{SCY}C{SCY}=C{SCY}N{H}{SCY}{V3}	-	-	C{scy}(N{H}{SP3})=HA17C{SCY}=C{SCY}C{SCY}=N{SCY}{V3}	1,5-H shift in N,N-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
313	phase I	1.0000000000	0	0	C(O{H})=CC=CC=O	-	C(O{H})=CC=CC(=O)CG C1C(=O)C=CC(=CO{H})C=1 C1C(O{H})=CC=C(C=O)C=1 C1(O{H})c2c(C(C=O)=C3C=1C=CC=C3)cccc2	C(=O)C=CC=CO{H}	1,7-H shift in O,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
196	phase I	1.0000000000	0	0	C(=O)C=CC=CO{H}	-	C(O{H})(CG)=CC=CC=O C1C(=O)C=CC(=CO{H})C=1 C1C(O{H})=CC=C(C=O)C=1	C(O{H})=CC=CC=O	1,7-H shift in O,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
195	phase I	1.0000000000	0	0	C1C(O{H})=CC=C(C=O)C=1	-	C1C(O{H})=CC{~1}=C(C=O)C{~1}=1"~1EAG;1" C(O{H})=CC=CC(=O)CG	C1C(=O)C=CC(=CO{H})C=1	1,7-H shift in O,O-conjugated sysmems(OH)(non o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
179	phase I	1.0000000000	0	0	C1C(=O)C=CC(=CO{H})C=1	-	C1C(=O)C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1" C(=O)C=CC=C(O{H})CG	C1C(O{H})=CC=C(C=O)C=1	1,7-H shift in O,O-conjugated sysmems(non o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
79	phase I	1.0000000000	0	0	C1C(O{H})=CC{~1}=C(C=O)C{~1}=1"~1EAG;1"	-	C1C(O{H})=CC{~1}=C(C(=O)CG)C{~1}=1"~1EAG;1"	C1C(=O)C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1"	1,7-H shift in O,O-conjugated sysmems(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
42	phase I	1.0000000000	0	0	C1C(=O)C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1"	-	C1C(=O)C=C{~1}C(=C(O{H})CG)C{~1}=1"~1EAG;1"	C1C(O{H})=CC{~1}=C(C=O)C{~1}=1"~1EAG;1"	1,7-H shift in O,O-conjugated sysmems(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
317	phase I	1.0000000000	0	0	C(S{H}{v2})=CC=CC=O	-	C1=C(S{H}{v2})C=C{~1}C(C=O)=C{~1}1"~1EAG;1" C(S{H}{V2})=CC=CC(=O)CG	C(=S{V2})C=CC=CO{H}	1,7-H shift in S,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
116	phase I	1.0000000000	0	0	C1=C(S{H}{V2})C=C{~1}C(C=O)=C{~1}1"~1EAG;1"	-	C1=C(S{H}{V2})C=C{~1}C(C(=O)CG)=C{~1}1"~1EAG;1"	C1C(=S{V2})C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1"	1,7-H shift in S,O-conjugated sysmems(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
316	phase I	1.0000000000	0	0	C(=S{V2})C=CC=CO{H}	-	C1C(=S{V2})C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1" C(=S{V2})C=CC=C(O{H})CG	C(S{H}{v2})=CC=CC=O	1,7-H shift in O,S-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
117	phase I	1.0000000000	0	0	C1C(=S{V2})C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1"	-	C1C(=S{V2})C=C{~1}C(=C(O{H})CG)C{~1}=1"~1EAG;1"	C1=C(S{H}{v2})C=C{~1}C(C=O)=C{~1}1"~1EAG;1"	1,7-H shift in O,S-conjugated sysmems(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
315	phase I	1.0000000000	0	0	C(N{H}{acy}{v3})=CC=CC=O	-	C{~1}1=C(C=O)C{~1}=CC(N{H}{V3})=C1"~1EAG;1" C(N{H}{ACY}{V3})=CC=CC(=O)CG	C(=N{ACY}{V3})C=CC=CO{H}	1,7-H shift in N,O-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
118	phase I	1.0000000000	0	0	C{~1}1=C(C=O)C{~1}=CC(N{H}{acy}{v3})=C1"~1EAG;1"	-	C{~1}1=C(C(=O)CG)C{~1}=CC(N{H}{acy}{v3})=C1"~1EAG;1"	C{~1}1C(=CO{H})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	1,7-H shift in N,O-conjugated sysmems(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
314	phase I	1.0000000000	0	0	C(=N{ACY}{V3})C=CC=CO{H}	-	C{~1}1C(=CO{H})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1" C(=N{ACY}{V3})C=CC=C(O{H})CG	C(N{H}{acy}{v3})=CC=CC=O	1,7-H shift in O,N-conjugated sysmems	1.0000				0			Constant		Undefined	0	0	0	0	0		00
414	phase I	1.0000000000	0	0	C{~1}1C(=CO{H})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	-	C{~1}1C(=C(O{H})CG)C{~1}=CC(=N{V3})C=1"~1EAG;1"	C{~1}1=C(C=O)C{~1}=CC(N{H}{acy}{v3})=C1"~1EAG;1"	1,7-H shift in O,N-conjugated sysmems(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
324	phase I	1.0000000000	0	0	C(=N{ACY}{V3})C=CC=CN{ACY}{H}{V3}	-	C1=C(C=N{ACY}{V3})C=CC(N{ACY}{H}{V3})=C1 C1C(=CN{ACY}{H}{V3})C=CC(=N{ACY}{V3})C=1	C(N{ACY}{H}{V3})=CC=CC=N{ACY}{V3}	Enamine-imine - imino-amine tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
204	phase I	1.0000000000	0	0	C1=C(C=N{ACY}{V3})C=CC(N{ACY}{H}{V3})=C1	-	C{~1}1=C(C=N{ACY}{V3})C{~1}=CC(N{ACY}{H}{V3})=C1"~1EAG;1"	C1C(=CN{ACY}{H}{V3})C=CC(=N{ACY}{V3})C=1	Enamine-imine - imino-amine tautomerism - 1,7-H shift(non o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
119	phase I	1.0000000000	0	0	C{~1}1=C(C=N{ACY}{V3})C{~1}=CC(N{ACY}{H}{V3})=C1"~1EAG;1"	-	-	C{~1}1C(=CN{H}{ACY}{V3})C{~1}=CC(=N{ACY}{V3})C=1"~1EAG;1"	Enamine-imine - imino-amine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
323	phase I	1.0000000000	0	0	C(N{ACY}{H}{V3})=CC=CC=N{ACY}{V3}	-	C1C(=CN{ACY}{H}{V3})C=CC(=N{ACY}{V3})C=1 C1=C(C=N{ACY}{V3})C=CC(N{ACY}{H}{V3})=C1	C(=N{ACY}{V3})C=CC=CN{ACY}{H}{V3}	Imino-amine - enamine-imine tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
234	phase I	1.0000000000	0	0	C1C(=CN{ACY}{H}{V3})C=CC(=N{ACY}{V3})C=1	-	C{~1}1C(=CN{H}{ACY}{V3})C{~1}=CC(=N{ACY}{V3})C=1"~1EAG;1"	C1=C(C=N{ACY}{V3})C=CC(N{ACY}{H}{V3})=C1	Imino-amine - enamine-imine tautomerism - 1,7-H shift(non o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
124	phase I	1.0000000000	0	0	C{~1}1C(=CN{H}{ACY}{V3})C{~1}=CC(=N{ACY}{V3})C=1"~1EAG;1"	-	-	C{~1}1=C(C=N{ACY}{V3})C{~1}=CC(N{ACY}{H}{V3})=C1"~1EAG;1"	Imino-amine - enamine-imine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
322	phase I	1.0000000000	0	0	C(=S{V2})C=CC=CN{H}{acy}{v3}	-	C1=C{~1}C(=C{ACY}N{ACY}{V3})C{~1}=CC1=S"~1EAG;1"	C(S{H}{V2})=CC=CC=N{ACY}{V3}	Thione-amine - thiol-imine tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
321	phase I	1.0000000000	0	0	C(S{H}{V2})=CC=CC=N{ACY}{V3}	-	C1C{~1}=C(C{ACY}=N{ACY}{V3})C{~1}=CC=1S{H}{V2}"~1EAG;1"	C(=S{V2})C=CC=CN{H}{acy}{v3}	Thiol-imine - thione-amine tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
486	phase I	1.0000000000	0	0	C1=C{~1}C(=C{ACY}N{H}{ACY}{V3})C{~1}=CC1=S"~1EAG;1"	-	-	C1C{~1}=C(C{ACY}=N{ACY}{V3})C{~1}=CC=1S{H}{V2}"~1EAG;1"	Thione-amine - thiol-imine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
386	phase I	1.0000000000	0	0	C1C{~1}=C(C{ACY}=N{ACY}{V3})C{~1}=CC=1S{H}{V2}"~1EAG;1"	-	-	C1=C{~1}C(=C{ACY}N{H}{ACY}{V3})C{~1}=CC1=S"~1EAG;1"	Thiol-imine - thione-amine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
320	phase I	1.0000000000	0	0	C{acy}(S{H}{V2})=C{acy}C{acy}=C{acy}C{acy}=S{V2}	-	-	C{ACY}(=S{V2})C=C{ACY}C=C{ACY}S{H}{V2}	1,7-H shift in S,S-conjugated sysmems(acy)(SH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
319	phase I	1.0000000000	0	0	C{ACY}(=S{V2})C=C{ACY}C=C{ACY}S{H}{V2}	-	-	C{acy}(S{H}{V2})=C{acy}C{acy}=C{acy}C{acy}=S{V2}	1,7-H shift in S,S-conjugated sysmems(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
190	phase I	1.0000000000	0	0	P{ACY}{V3}(O{H})[V1]E3	-	P{ACY}{V3}(O{H})(O{H})O{H} P{H}{ACY}{V3}(O{H})O{H} P{H2}{ACY}{V3}O{H}	P{acy}{H}{v5}(=O)[V1]E3	Phosphite - phosphonate diad tautomerism - 1,2-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
111	phase I	1.0000000000	0	0	P{acy}{H}{v5}(=O)[V1]E3	-	P{ACY}{H}{V5}(=O)(O{H})O{H} P{H}{ACY}{H}{V5}(=O)O{H}	P{ACY}{V3}(O{H})[V1]E3	Phosphonate - phosphite diad tautomerism - 1,2-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
214	phase I	1.0000000000	0	0	P{ACY}{V3}(S{H}{v2})[V1]E3	-	P{ACY}{V3}(S{H}{V2})(O{H})O{H}	P{ACY}{V5}{H}(=S{V2})[V1]E3	Thiophosphite - thiophosphonate tautomerism - 1,2-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
268	phase I	1.0000000000	0	0	P{ACY}{V5}{H}(=S{V2})[V1]E3	-	P{ACY}{H}{V5}(=S{V2})(O{H})O{H} P{H}{ACY}{H}{V5}(=S{V2})O{H}	P{ACY}{V3}(S{H}{v2})[V1]E3	Thiophosphonate - thiophosphite tautomerism - 1,2-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
247	phase I	1.0000000000	0	0	P{ACY}{V3}(N{ACY}{H}{V3})[V1]E3	-	P{ACY}{V3}(N{ACY}{H}{V3})([V1]DT)[V1]DT	P{ACY}{H}{V5}(=N{ACY}{V3})[V1]E3	Amidophosphite - imidophosphonate tautomerism - 1,2-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
245	phase I	1.0000000000	0	0	P{ACY}{H}{V5}(=N{ACY}{V3})[V1]E3	-	P{ACY}{H}{V5}(=N{ACY}{V3})([V1]DT)[V1]DT	P{ACY}{V3}(N{ACY}{H}{V3})[V1]E3	Imidophosphonate - imidophosphite tautomerism - 1,2-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
444	phase I	1.0000000000	0	0	P{ACY}{V3}(C{H}{acy}{sp3})[V1]E3	-	-	P{H}{ACY}{V5}(=C{acy}{sp2})[V1]E3	Phosphite - phosphonomethylene tautomerism - 1,2-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
176	phase I	1.0000000000	0	0	P{H}{ACY}{V5}(=C{acy}{sp2})[V1]E3	-	-	P{ACY}{V3}(C{H}{acy}{sp3})[V1]E3	Phosphonomethylene - phosphite tautomerism - 1,2-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
255	phase I	1.0000000000	0	0	CN{ACY}{H}{V3}C{ACY}(=S{ACY}{V6}(=O)=O)[V1]TD1	-	-	CN{ACY}{V3}=C{ACY}(S{ACY}{V4}(O{H})=O)[V1]TD1	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
254	phase I	1.0000000000	0	0	CN{ACY}{V3}=C{ACY}(S{ACY}{V4}(O{H})=O)[V1]TD1	-	-	CN{ACY}{H}{V3}C{ACY}(=S{ACY}{V6}(=O)=O)[V1]TD1	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
99	phase I	1.0000000000	0	0	CN{H}{acy}{v3}C{acy}(=[Se]{acy}{v6}(=O{acy})=O{acy})[V1]TD1	-	-	CN{ACY}{V3}=C{ACY}([Se]{ACY}{V4}(O{H})=O)[V1]TD1	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
98	phase I	1.0000000000	0	0	CN{ACY}{V3}=C{ACY}([Se]{ACY}{V4}(O{H})=O)[V1]TD1	-	-	CN{ACY}{H}{V3}C{ACY}(=[Se]{ACY}{V6}(=O)=O)[V1]TD1	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
101	phase I	1.0000000000	0	0	CN{ACY}{H}{V3}C{ACY}(=[Te]{ACY}{V6}(=O)=O)[V1]TD1	-	-	CN{ACY}{V3}=C{ACY}([Te]{ACY}{V4}(O{H})=O)[V1]TD1	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
100	phase I	1.0000000000	0	0	CN{ACY}{V3}=C{ACY}([Te]{ACY}{V4}(O{H})=O)[V1]TD1	-	-	CN{ACY}{H}{V3}C{ACY}(=[Te]{ACY}{V6}(=O)=O)[V1]TD1	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
364	phase I	1.0000000000	0	0	C{ACY}(O{ACY}{H})(N{V3}C)=S{ACY}{V6}(=O)=O	-	-	C{ACY}(=O)(N{V3}C)S{ACY}{V4}(=O)O{H}	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
363	phase I	1.0000000000	0	0	C{ACY}(=O)(N{V3}C)S{ACY}{V4}(=O)O{H}	-	-	C{ACY}(O{H})(N{V3}C)=S{ACY}{V6}(=O)=O	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
362	phase I	1.0000000000	0	0	C{ACY}(O{H})(N{H}{V3}C)=[Se]{ACY}{V6}(=O)=O	-	-	C{ACY}(=O)(N{H}{V3}C)[Se]{ACY}{V4}(=O)O{H}	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
360	phase I	1.0000000000	0	0	C{ACY}(=O)(N{H}{V3}C)[Se]{ACY}{V4}(=O)O{H}	-	-	C{ACY}(O{H})(N{H}{V3}C)=[Se]{ACY}{V6}(=O)=O	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
361	phase I	1.0000000000	0	0	C{ACY}(O{H})(N{H}{V3}C)=[Te]{ACY}{V6}(=O)=O	-	-	C{ACY}(=O)(N{H}{V3}C)[Te]{ACY}{V4}(=O)O{H}	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
359	phase I	1.0000000000	0	0	C{ACY}(=O)(N{ACY}{H}{V3}C)[Te]{ACY}{V4}(=O)O{H}	-	-	C{ACY}(O{H})(N{H}{V3}C)=[Te]{ACY}{V6}(=O)=O	Dioxide	1.0000				0			Constant		Undefined	0	0	0	0	0		00
97	phase I	1.0000000000	0	0	C1(=O)C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}{V3}C{~1}{@}=N{~1}{@}2"~@1Het1;C,N"	-	-	C1(O{H})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=N{V3}C{~1}{@}=N{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
96	phase I	1.0000000000	0	0	C1(O{H})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=N{V3}C{~1}{@}=N{~1}{@}2"~@1Het1;C,N"	-	-	C1(=O)C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}{V3}C{~1}{@}=N{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
303	phase I	1.0000000000	0	0	C(E4)(=O)C{H}{SP3}(C(=S{V2})E4)[V1]E5	-	-	C(E4)(=O)C(=C(S{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
302	phase I	1.0000000000	0	0	C(E4)(=O)C(=C(S{H}{V2})E4)[V1]E5	-	-	C(E4)(=O)C{H}{SP3}(C(=S{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
301	phase I	1.0000000000	0	0	C(E4)(=O)C{H}{SP3}(C(=[Se]{V2})E4)[V1]E5	-	-	C(E4)(=O)C(=C([Se]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
300	phase I	1.0000000000	0	0	C(E4)(=O)C(=C([Se]{H}{V2})E4)[V1]E5	-	-	C(E4)(=O)C{H}{SP3}(C(=[Se]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
306	phase I	1.0000000000	0	0	C(E4)(=O)C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	-	-	C(E4)(=O)C(=C([Te]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
305	phase I	1.0000000000	0	0	C(E4)(=O)C(=C([Te]{H}{V2})E4)[V1]E5	-	-	C(E4)(=O)C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
310	phase I	1.0000000000	0	0	C(E4)(=S)C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	-	-	C(E4)(=S)C(=C([Te]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
309	phase I	1.0000000000	0	0	C(E4)(=S)C(=C([Te]{H}{V2})E4)[V1]E5	-	-	C(E4)(=S)C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
308	phase I	1.0000000000	0	0	C(E4)(=S)C{H}{SP3}(C(=[Se]{V2})E4)[V1]E5	-	-	C(E4)(=S)C(=C([Se]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
307	phase I	1.0000000000	0	0	C(E4)(=S)C(=C([Se]{H}{V2})E4)[V1]E5	-	-	C(E4)(=S)C{H}{SP3}(C(=[Se]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
28	phase I	1.0000000000	0	0	C(E4)(=[Se]{V2})C(=C([Te]{H}{V2})E4)[V1]E5	-	-	C(E4)(=[Se]{V2})C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
304	phase I	1.0000000000	0	0	C(E4)(=[Se]{V2})C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	-	-	C(E4)(=[Se]{V2})C(=C([Te]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000				0			Constant		Undefined	0	0	0	0	0		00
391	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C=CO{H}	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}O{H}	CN{H}{ACY}{V3}N{ACY}{V3}=CC=O	Hydroxyazo - ketohydrazone tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
390	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=CC=O	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=O	CN{ACY}{V3}=N{ACY}{V3}C=CO{H}	Ketohydrazone - hydroxyazo tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
373	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}O{H}	-	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=O	Hydroxyazo - ketohydrazone tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
370	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=O	-	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}O{H}	Ketohydrazone - hydroxyazo tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
426	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C=CS{H}{v2}	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}S{H}{V2}	CN{H}{ACY}{V3}N{ACY}{V3}=CC=S{V2}	Mercaptoazo - thiohydrazone tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
425	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=CC=S{V2}	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=S{V2}	CN{ACY}{V3}=N{ACY}{V3}C=CS{H}{v2}	Thiohydrazone - mercaptoazo tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
441	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}S{H}{V2}	-	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=S{V2}	Mercaptoazo - thiohydrazone tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
440	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=S{V2}	-	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}S{H}{V2}	Thiohydrazone - mercaptoazo tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
428	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C=CN{H}{acy}{v3}	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}N{ACY}{H}{V3}	CN{ACY}{H}{V3}N{ACY}{V3}=CC=N{acy}{v3}	Aminoazo - iminohydrazone tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
427	phase I	1.0000000000	0	0	CN{ACY}{H}{V3}N{ACY}{V3}=CC=N{acy}{v3}	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=N{ACY}{V3}	CN{ACY}{V3}=N{ACY}{V3}C=CN{H}{acy}{v3}	Iminohydrazone - aminoazo tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
443	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}N{ACY}{H}{V3}	-	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=N{ACY}{V3}	Aminoazo - iminohydrazone tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
442	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=N{ACY}{V3}	-	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}N{ACY}{H}{V3}	Iminohydrazone - aminoazo tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
389	phase I	1.0000000000	0	0	C(=CC=CO{H})N{ACY}{V3}=N{ACY}{V3}C	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(O{H})C=C{~2}1"~2EAG;1"	C(C=CC=O)=N{ACY}{V3}N{H}{ACY}{V3}C	Hydroxyazo - ketohydrazone tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
388	phase I	1.0000000000	0	0	C(C=CC=O)=N{ACY}{V3}N{H}{ACY}{V3}C	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=O)C=C{~2}1"~2EAG;1"	C(=CC=CO{H})N{ACY}{V3}=N{ACY}{V3}C	Ketohydrazone - hydroxyazo tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
432	phase I	1.0000000000	0	0	C(=CC=CS{H}{V2})N{ACY}{V3}=N{ACY}{V3}C	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(S{H}{V2})C=C{~2}1"~2EAG;1"	C(C=CC=S{V2})=N{ACY}{V3}N{H}{ACY}{V3}C	Mercaptoazo - thiohydrazone tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
431	phase I	1.0000000000	0	0	C(C=CC=S{V2})=N{ACY}{V3}N{H}{ACY}{V3}C	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=S{V2})C=C{~2}1"~2EAG;1"	C(=CC=CS{H}{V2})N{ACY}{V3}=N{ACY}{V3}C	Thiohydrazone - mercaptoazo tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
430	phase I	1.0000000000	0	0	C(=CC=CN{ACY}{H}{V3})N{ACY}{V3}=N{ACY}{V3}C	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(N{ACY}{H}{V3})C=C{~2}1"~2EAG;1"	C(C=CC=N{ACY}{V3})=N{ACY}{V3}N{H}{ACY}{V3}C	Aminoazo - iminohydrazone tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
429	phase I	1.0000000000	0	0	C(C=CC=N{ACY}{V3})=N{ACY}{V3}N{H}{ACY}{V3}C	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=N{ACY}{V3})C=C{~2}1"~2EAG;1"	C(=CC=CN{ACY}{H}{V3})N{ACY}{V3}=N{ACY}{V3}C	Iminohydrazone - aminoazo tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
95	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(O{H})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=O)C=C{~2}1"~2EAG;1"	Hydroxyazo - ketohydrazone tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
94	phase I	1.0000000000	0	0	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=O)C=C{~2}1"~2EAG;1"	-	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(O{H})C=C{~2}1"~2EAG;1"	Ketohydrazone - hydroxyazo tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
114	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(S{H}{V2})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=S{V2})C=C{~2}1"~2EAG;1"	Mercaptoazo - thiohydrazone tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
113	phase I	1.0000000000	0	0	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=S{V2})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(S{H}{V2})C=C{~2}1"~2EAG;1"	Thiohydrazone - mercaptoazo tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
135	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(N{ACY}{H}{V3})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=N{ACY}{V3})C=C{~2}1"~2EAG;1"	Aminoazo - iminohydrazone tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
115	phase I	1.0000000000	0	0	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=N{ACY}{V3})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(N{ACY}{H}{V3})C=C{~2}1"~2EAG;1"	Iminohydrazone - aminoazo tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
9	phase I	1.0000000000	0	0	C{ACY}(=O)S{H}{v2}	-	-	C{ACY}(O{H})=S{V2}	Thiol - thione tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
13	phase I	1.0000000000	0	0	C{ACY}(O{H})=S{v2}	-	-	C{ACY}(=O)S{H}{V2}	Thione - thiol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
417	phase I	1.0000000000	0	0	C{ACY}(=O)[Se]{H}{v2}	-	-	C{ACY}(O{H})=[Se]{v2}	Selenol - selone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
416	phase I	1.0000000000	0	0	C{ACY}(O{H})=[Se]{v2}	-	-	C{ACY}(=O)[Se]{H}{v2}	Selone - selenol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
82	phase I	1.0000000000	0	0	C{ACY}(=O)[Te]{H}{V2}	-	-	C{ACY}(O{H})=[Te]{v2}	Tellurol - tellone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
419	phase I	1.0000000000	0	0	C{ACY}(O{H})=[Te]{v2}	-	-	C(=O)[Te]{H}{V2}	Tellone - tellurol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
418	phase I	1.0000000000	0	0	C{ACY}(=S{v2})[Se]{ACY}{H}{V2}	-	-	C{ACY}(S{H}{v2})=[Se]{v2}	Thionoselenol - mercaptoselone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
422	phase I	1.0000000000	0	0	C{ACY}(S{H}{v2})=[Se]{v2}	-	-	C{ACY}(=S{v2})[Se]{H}{v2}	Mercaptoselone - thionoselenol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
421	phase I	1.0000000000	0	0	C{ACY}(=S{v2})[Te]{H}{v2}	-	-	C{ACY}(S{H}{v2})=[Te]{v2}	Thionotellurol - mercaptotellone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
420	phase I	1.0000000000	0	0	C{ACY}(S{H}{v2})=[Te]{v2}	-	-	C{ACY}(=S{v2})[Te]{H}{v2}	Mercaptotellone - thionotellurol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
423	phase I	1.0000000000	0	0	C{ACY}(=[Se]{v2})[Te]{H}{v2}	-	-	C{ACY}([Se]{H}{v2})=[Te]{v2}	Selenotellone - telluroselone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
14	phase I	1.0000000000	0	0	C{ACY}([Se]{H}{v2})=[Te]{v2}	-	-	C{ACY}(=[Se]{v2})[Te]{H}{v2}	Telluroselone - selenotellone tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
61	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=C(O{H})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=O)N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,7-H shift in N-heteroarenols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
60	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=O)N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	-	C{~1}{@}1C{~1}{@}=C(O{H})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	1,7-H shift in N-heteroarenols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
59	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=C(N{ACY}{H}{V3})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,7-H shift in N-heterocyclic amines	1.0000				0			Constant		Undefined	0	0	0	0	0		00
58	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	-	C{~1}{@}1C{~1}{@}=C(N{ACY}{H}{V3})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	1,7-H shift in N-heterocyclic amines	1.0000				0			Constant		Undefined	0	0	0	0	0		00
64	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=C(S{H}{V2})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=S{V2})N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,7-H shift in N-heterothiols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
63	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=S{V2})N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	-	C{~1}{@}1C{~1}{@}=C(S{H}{V2})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	1,7-H shift in N-heterothiols	1.0000				0			Constant		Undefined	0	0	0	0	0		00
91	phase I	1.0000000000	0	0	C1(=S{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(S{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
85	phase I	1.0000000000	0	0	C1(S{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=S{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
84	phase I	1.0000000000	0	0	C1(=[Se]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1([Se]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
83	phase I	1.0000000000	0	0	C1([Se]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=[Se]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
81	phase I	1.0000000000	0	0	C1(=N{v3})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(N{H}{v3})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
69	phase I	1.0000000000	0	0	C1(N{H}{v3})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=N{v3})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
18	phase I	1.0000000000	0	0	C1([Te]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=[Te]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
184	phase I	1.0000000000	0	0	P{acy}{v5}(=O)C{H}{acy}{sp3}	-	-	P{acy}{v5}(O{H})=C{acy}	Phosphoryl - hydroxy-ylide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
434	phase I	1.0000000000	0	0	P{acy}{v5}(O{H})=C{acy}	-	-	P{acy}{v5}(=O)C{H}{acy}{sp3}	Hydroxy-ylide - phosphoryl tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
233	phase I	1.0000000000	0	0	P{acy}{v5}(=S{V2})C{H}{acy}{sp3}	-	-	P{acy}{v5}(S{H}{V2})=C{acy}{sp2}	Thiophosphoryl -  mercapto-ylide tautomerism  - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
232	phase I	1.0000000000	0	0	P{acy}{v5}(S{H}{V2})=C{acy}{sp2}	-	-	P{acy}{v5}(=S{V2})C{H}{acy}{sp3}	Mercapto-ylide - thiophosphoryl tautomerism  - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
256	phase I	1.0000000000	0	0	P{ACY}{V5}(=N{acy}{v3})C{H}{ACY}{SP3}	-	-	P{ACY}{V5}(N{ACY}{H}{V3})=C{acy}{sp2}	Phosphorimide - amino-ylide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
253	phase I	1.0000000000	0	0	P{ACY}{V5}(N{ACY}{H}{V3})=C{acy}{sp2}	-	-	P{ACY}{V5}(=N{acy}{v3})C{H}{ACY}{SP3}	Amino-ylide - phosphorimide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
194	phase I	1.0000000000	0	0	O=P{ACY}{V5}(N{ACY}{H}{V3})FP1	-	-	O{H}P{acy}{v5}(=N{acy}{v3})FP1	Phosphoramide - phosphorimidol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
193	phase I	1.0000000000	0	0	O{H}P{acy}{v5}(=N{acy}{v3})FP1	-	-	O=P{acy}{v5}(N{H}{acy}{v3})FP1	Phosphorimidol - phosphoramide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
50	phase I	1.0000000000	0	0	S{v2}=P{ACY}{V5}(N{ACY}{H}{V3})FP1	-	-	S{H}{V2}P{ACY}{V5}(=N{ACY}{V3})FP1	Phosphorthioamide - phosphorimidothiol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
102	phase I	1.0000000000	0	0	S{H}{V2}P{ACY}{V5}(=N{ACY}{V3})FP1	-	-	S{v2}=P{ACY}{V5}(N{ACY}{H}{V3})FP1	Phosphorimidothiol - phosphorthioamide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
169	phase I	1.0000000000	0	0	N{ACY}{V3}=P{ACY}{V5}(N{ACY}{H}{V3})FP1	-	-	N{H}{ACY}{V3}P{ACY}{V5}(=N{ACY}{V3})FP1	Phosphoramine - phosphorimine tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
103	phase I	1.0000000000	0	0	N{H}{ACY}{V3}P{ACY}{V5}(=N{ACY}{V3})FP1	-	-	N{ACY}{V3}=P{ACY}{V5}(N{ACY}{H}{V3})FP1	Phosphorimine - phosphoramine tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
461	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=C{ACY}P{acy}{v5}=O	-	-	N{ACY}{V3}=C{ACY}C{ACY}=P{acy}{v5}O{H}	1,5-H shift in conjugated phosphorus compounds(N,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
460	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}C{ACY}=P{acy}{v5}O{H}	-	-	N{ACY}{H}{V3}C{ACY}=C{ACY}P{acy}{v5}=O	1,5-H shift in conjugated phosphorus compounds(O,N)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
465	phase I	1.0000000000	0	0	O{H}C{ACY}=C{ACY}P{acy}{v5}=O	-	-	O=C{ACY}C{ACY}=P{acy}{v5}O{H}	1,5-H shift in conjugated phosphorus compounds(O,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
464	phase I	1.0000000000	0	0	O=C{ACY}C{ACY}=P{acy}{v5}O{H}	-	-	O{H}C{ACY}=C{ACY}P{acy}{v5}=O	1,5-H shift in conjugated phosphorus compounds(O,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
468	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}=C{ACY}P{ACY}{V5}=O	-	-	S{V2}=C{ACY}C{ACY}=P{ACY}{V5}O{H}	1,5-H shift in conjugated phosphorus compounds(S,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
467	phase I	1.0000000000	0	0	S{V2}=C{ACY}C{ACY}=P{ACY}{V5}O{H}	-	-	S{H}{v2}C{ACY}=C{ACY}P{ACY}{V5}=O	1,5-H shift in conjugated phosphorus compounds(O,S)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
470	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{ACY}=C{ACY}P{ACY}{V5}=O	-	-	C{acy}{sp2}=C{ACY}C{ACY}=P{ACY}{V5}O{H}	1,5-H shift in conjugated phosphorus compounds(C,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
469	phase I	1.0000000000	0	0	C{acy}{sp2}=C{ACY}C{ACY}=P{ACY}{V5}O{H}	-	-	C{H}{acy}{sp3}C{ACY}=C{ACY}P{ACY}{V5}=O	1,5-H shift in conjugated phosphorus compounds(O,C)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
488	phase I	1.0000000000	0	0	O=C{acy}=N{H}{acy}{v3}	-	-	O{H}C{ACY}#N{ACY}{V3}	Isocyanic acid - cyanic acid - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
513	phase I	1.0000000000	0	0	O{H}C{ACY}#N{ACY}{V3}	-	-	O=C{acy}=N{H}{acy}{v3}	Cyanic acid - isocyanic acid - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
487	phase I	1.0000000000	0	0	S{V2}=C{ACY}=N{H}{ACY}{V3}	-	-	S{H}{v2}C{ACY}#N{ACY}{V3}	Isothiocyanic acid - thiocyanic acid - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
514	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}#N{ACY}{V3}	-	-	S{V2}=C{ACY}=N{H}{ACY}{V3}	Thiocyanic acid - isothiocyanic acid - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
490	phase I	1.0000000000	0	0	CN{ACY}{H}{V3}C{acy}#N{acy}{v3}	-	-	CN{ACY}{V3}=C{acy}=N{H}{acy}{v3}	Cyanamide - carbodiimide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
489	phase I	1.0000000000	0	0	CN{ACY}{V3}=C{acy}=N{H}{acy}{v3}	-	-	CN{ACY}{H}{V3}C{acy}#N{acy}{v3}	Carbodiimide - cyanamide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
207	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{ACY}#N{V3}	-	-	C{ACY}{SP2}=C{ACY}=N{H}{V3}	Nitrile - ketenimine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
206	phase I	1.0000000000	0	0	C{ACY}{SP2}=C{ACY}=N{H}{V3}	-	-	C{ACY}{H}{SP3}C{ACY}#N{V3}	Ketenimine - nitrile tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
210	phase I	1.0000000000	0	0	N{V3}#C{ACY}C{acy}=C{acy}C{H}{acy}{sp3}	-	-	N{H}{acy}{v3}=C{acy}=C{acy}C{acy}=C{acy}{sp2}	Nitrile - ketenimine tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
209	phase I	1.0000000000	0	0	N{H}{acy}{v3}=C{ACY}=C{acy}C{acy}=C{acy}{sp2}	-	-	N{V3}#C{ACY}C{acy}=C{acy}C{H}{acy}{sp3}	Ketenimine - nitrile tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
208	phase I	1.0000000000	0	0	N{v3}#C{ACY}C=CO{H}	-	N{V3}#C{ACY}C{scy}=C{scy}O{H}	N{H}{v3}=C{ACY}=CC=O	Nitrile - ketenimine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
212	phase I	1.0000000000	0	0	N{H}{v3}=C{ACY}=CC=O	-	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=O	N{v3}#C{ACY}C=CO{H}	Ketenimine - nitrile tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
148	phase I	1.0000000000	0	0	N{V3}#C{ACY}C{scy}=C{scy}O{H}	-	-	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=O	Nitrile - ketenimine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
147	phase I	1.0000000000	0	0	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=O	-	-	N{V3}#C{ACY}C{scy}=C{scy}O{H}	Ketenimine - nitrile tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
211	phase I	1.0000000000	0	0	N{V3}#C{ACY}C=CN{H}{acy}{v3}	-	N{V3}#C{ACY}C{scy}=C{scy}N{ACY}{H}{V3}	N{H}{V3}=C{ACY}=CC=N{ACY}{V3}	Nitrile - ketenimine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
205	phase I	1.0000000000	0	0	N{H}{V3}=C{ACY}=CC=N{ACY}{V3}	-	N{H}{v3}=C{ACY}=C{SCY}C{SCY}=N{ACY}{V3}	N{V3}#C{ACY}C=CN{H}{acy}{v3}	Ketenimine - nitrile tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
397	phase I	1.0000000000	0	0	N{V3}#C{ACY}C{scy}=C{scy}N{ACY}{H}{V3}	-	-	N{H}{v3}=C{ACY}=C{SCY}C{SCY}=N{ACY}{V3}	Nitrile - ketenimine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
168	phase I	1.0000000000	0	0	N{H}{v3}=C{ACY}=C{SCY}C{SCY}=N{ACY}{V3}	-	-	N{V3}#C{ACY}C{scy}=C{scy}N{ACY}{H}{V3}	Ketenimine - nitrile tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
353	phase I	1.0000000000	0	0	N{V3}#C{ACY}C=CS{H}{v2}	-	N{V3}#C{ACY}C{scy}=C{scy}S{H}{V2}	N{H}{V3}=C{ACY}=CC=S{V2}	Nitrile - ketenimine tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
352	phase I	1.0000000000	0	0	N{H}{V3}=C{ACY}=CC=S{V2}	-	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=S{V2}	N{V3}#C{ACY}C=CS{H}{v2}	Ketenimine - nitrile tautomerism - 1,5-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
433	phase I	1.0000000000	0	0	N{V3}#C{ACY}C{scy}=C{scy}S{H}{V2}	-	-	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=S{V2}	Nitrile - ketenimine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
398	phase I	1.0000000000	0	0	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=S{V2}	-	-	N{V3}#C{ACY}C{scy}=C{scy}S{H}{V2}	Ketenimine - nitrile tautomerism - 1,5-H shift(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
219	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=C{acy}C{ACY}#N{V3}	-	-	C{ACY}{SP2}=C{ACY}C{ACY}=C{ACY}C{ACY}=C{ACY}=N{H}{acy}{v3}	Nitrile - ketenimine tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
218	phase I	1.0000000000	0	0	C{ACY}{SP2}=C{ACY}C{ACY}=C{ACY}C{ACY}=C{ACY}=N{H}{acy}{v3}	-	-	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=C{acy}C{ACY}#N{V3}	Ketenimine - nitrile tautomerism - 1,7-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
217	phase I	1.0000000000	0	0	O{H}C=CC=CC{ACY}#N{v3}	-	C{~1}1C(C{acy}#N{acy}{v3})=C{~1}C=C(O{H})C=1"~1EAG;1"	O=CC=CC=C{ACY}=N{H}{v3}	Nitrile - ketenimine tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
216	phase I	1.0000000000	0	0	O=CC=CC=C{ACY}=N{H}{v3}	-	C{~1}1C(=C{ACY}=N{H}{ACY}{V3})C{~1}=CC(=O)C=1"~1EAG;1"	O{H}C=CC=CC{ACY}#N{v3}	Ketenimine - nitrile tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
447	phase I	1.0000000000	0	0	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(O{H})C=1"~1EAG;1"	-	-	C{~1}1C(=C{ACY}=N{H}{ACY}{V3})C{~1}=CC(=O)C=1"~1EAG;1"	Nitrile - ketenimine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
446	phase I	1.0000000000	0	0	C{~1}1C(=C{ACY}=N{H}{ACY}{V3})C{~1}=CC(=O)C=1"~1EAG;1"	-	-	C{~1}1C(C{acy}#N{acy}{v3})=C{~1}C=C(O{H})C=1"~1EAG;1"	Ketenimine - nitrile tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
215	phase I	1.0000000000	0	0	N{H}{V3}C=CC=CC{ACY}#N{v3}	-	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(N{H}{acy}{v3})C=1"~1EAG;1"	N{V3}=CC=CC=C{ACY}=N{H}{acy}{v3}	Nitrile - ketenimine tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
213	phase I	1.0000000000	0	0	N{V3}=CC=CC=C{ACY}=N{H}{acy}{v3}	-	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	N{H}{V3}C=CC=CC{ACY}#N{v3}	Ketenimine - nitrile tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
451	phase I	1.0000000000	0	0	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(N{H}{acy}{v3})C=1"~1EAG;1"	-	-	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	Nitrile - ketenimine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
450	phase I	1.0000000000	0	0	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	-	-	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(N{H}{acy}{v3})C=1"~1EAG;1"	Ketenimine - nitrile tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
449	phase I	1.0000000000	0	0	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	-	-	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=S{v2})C=1"~1EAG;1"	Nitrile - ketenimine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
448	phase I	1.0000000000	0	0	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=S{v2})C=1"~1EAG;1"	-	-	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	Ketenimine - nitrile tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
355	phase I	1.0000000000	0	0	S{H}{v2}C=CC=CC{ACY}#N{V3}	-	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	S{V2}=CC=CC=C{ACY}=N{H}{acy}{v3}	Nitrile - ketenimine tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
354	phase I	1.0000000000	0	0	S{V2}=CC=CC=C{ACY}=N{H}{acy}{v3}	-	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=S{v2})C=1"~1EAG;1"	S{H}{v2}C=CC=CC{ACY}#N{V3}	Ketenimine - nitrile tautomerism - 1,7-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
455	phase I	1.0000000000	0	0	S{v6}(=O)(C{H}{sp3})SAm1	-	-	S{V6}(O{H})(=C)SAm1	Oxothio - hydroxythienyl tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
454	phase I	1.0000000000	0	0	S{V6}(O{H})(=C)SAm1	-	-	S{v6}(=O)(C{H}{sp3})SAm1	Hydroxythienyl - oxothio tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
241	phase I	1.0000000000	0	0	S{v4}(=O)(C{H}{sp3})SAm1	-	-	S{v4}(O{H})(=C)SAm1	Sulfinyl - aci-sulfinyl tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
240	phase I	1.0000000000	0	0	S{v4}(O{H})(=C)SAm1	-	-	S{v4}(=O)(C{H}{sp3})SAm1	Aci-sulfinyl - sulfinyl tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
242	phase I	1.0000000000	0	0	S{V6}(=O)(S{H}{V2})C	-	-	S{V6}(O{H})(=S{V2})C	Oxothio - hydroxythio-thiono tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
243	phase I	1.0000000000	0	0	S{V6}(O{H})(=S{V2})C	-	-	S{V6}(=O)(S{H}{V2})C	Hydroxythio-thiono - oxothio tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
221	phase I	1.0000000000	0	0	S{V6}(=O)(N{H}{V3})SAm1	-	-	S{V6}(O{H})(=N{V3})SAm1	Sulfonamide - sulfonimidol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
220	phase I	1.0000000000	0	0	S{V6}(O{H})(=N{V3})SAm1	-	-	S{V6}(=O)(N{H}{V3})SAm1	Sulfonimidol - sulfonamide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
259	phase I	1.0000000000	0	0	S{v4}(=O)(N{H}{V3})SAm1	-	-	S{V4}(O{H})(=N{V3})SAm1	Sulfinamide - sulfinimidol tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
257	phase I	1.0000000000	0	0	S{V4}(O{H})(=N{V3})SAm1	-	-	S{v4}(=O)(N{H}{V3})SAm1	Sulfinimidol - sulfinamide tautomerism - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
252	phase I	1.0000000000	0	0	S{V4}(=O)(S{H}{v2})C	-	-	S{V4}(O{H})(=S{V2})C	Thiosulfinic acid  - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
246	phase I	1.0000000000	0	0	S{V4}(O{H})(=S{V2})C	-	-	S{V4}(=O)(S{H}{v2})C	Thiosulfinic acid  - 1,3-H shift	1.0000				0			Constant		Undefined	0	0	0	0	0		00
274	phase I	1.0000000000	0	0	N{H}{V3}C=CS{v4}=O	-	N{ACY}{H}{V3}C{SCY}=C{SCY}S{V4}(=O)C	N{V3}=CC=S{V4}O{H}	1,5-H shift in conjugated sulfur(v.4) compounds(N,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
273	phase I	1.0000000000	0	0	N{V3}=CC=S{V4}O{H}	-	N{ACY}{V3}=C{SCY}C{SCY}=S{V4}(O{H})C	N{H}{V3}C=CS{v4}=O	1,5-H shift in conjugated sulfur(v.4) compounds(O,N)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
435	phase I	1.0000000000	0	0	N{H}{ACY}{V3}C{SCY}=C{SCY}S{V4}(=O)C	-	-	N{ACY}{V3}=C{SCY}C{SCY}=S{V4}(O{H})C	1,5-H shift in conjugated sulfur(v.4) compounds(N,O)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
424	phase I	1.0000000000	0	0	N{ACY}{V3}=C{SCY}C{SCY}=S{V4}(O{H})C	-	-	N{H}{ACY}{V3}C{SCY}=C{SCY}S{V4}(=O)C	1,5-H shift in conjugated sulfur(v.4) compounds(O,N)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
345	phase I	1.0000000000	0	0	N{H}{v3}C=CS{v6}=O	-	N{H}{acy}{v3}C{scy}=C{SCY}S{V6}(=O)(=O)C	N{V3}=CC=S{V6}O{H}	1,5-H shift in conjugated sulfur(v.6) compounds(N,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
344	phase I	1.0000000000	0	0	N{V3}=CC=S{V6}O{H}	-	N{ACY}{V3}=C{SCY}C{scy}=S{V6}(=O)(O{H})C	N{H}{v3}C=CS{v6}=O	1,5-H shift in conjugated sulfur(v.6) compounds(O,N)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
437	phase I	1.0000000000	0	0	N{H}{acy}{v3}C{scy}=C{SCY}S{V6}(=O)(=O)C	-	-	N{ACY}{V3}=C{SCY}C{scy}=S{V6}(=O)(O{H})C	1,5-H shift in conjugated sulfur(v.6) compounds(N,O)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
436	phase I	1.0000000000	0	0	N{ACY}{V3}=C{SCY}C{scy}=S{V6}(=O)(O{H})C	-	-	N{H}{acy}{v3}C{scy}=C{SCY}S{V6}(=O)(=O)C	1,5-H shift in conjugated sulfur(v.6) compounds(O,N)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
272	phase I	1.0000000000	0	0	S{H}{V2}C=CS{v4}=O	-	S{H}{V2}C{scy}=C{scy}S{V4}(=O)C	S{V2}=CC=S{V4}O{H}	1,5-H shift in conjugated sulfur(v.4) compounds(S,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
271	phase I	1.0000000000	0	0	S{V2}=CC=S{V4}O{H}	-	S{V2}=C{SCY}C{SCY}=S{V4}(O{H})C	S{H}{V2}C=CS{v4}=O	1,5-H shift in conjugated sulfur(v.4) compounds(O,S)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
237	phase I	1.0000000000	0	0	S{H}{V2}C{scy}=C{scy}S{V4}(=O)C	-	-	S{V2}=C{SCY}C{SCY}=S{V4}(O{H})C	1,5-H shift in conjugated sulfur(v.4) compounds(S,O)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
236	phase I	1.0000000000	0	0	S{V2}=C{SCY}C{SCY}=S{V4}(O{H})C	-	-	S{H}{V2}C{scy}=C{scy}S{V4}(=O)C	1,5-H shift in conjugated sulfur(v.4) compounds(O,S)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
457	phase I	1.0000000000	0	0	S{H}{V2}C=CS{v6}=O	-	S{H}{V2}C{SCY}=C{SCY}S{ACY}{V6}(=O)(=O)C	S{V2}=CC=S{V6}O{H}	1,5-H shift in conjugated sulfur(v.6) compounds(S,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
456	phase I	1.0000000000	0	0	S{V2}=CC=S{V6}O{H}	-	S{V2}=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	S{H}{V2}C=CS{v6}=O	1,5-H shift in conjugated sulfur(v.6) compounds(O,S)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
284	phase I	1.0000000000	0	0	S{H}{V2}C{SCY}=C{SCY}S{ACY}{V6}(=O)(=O)C	-	-	S{V2}=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	1,5-H shift in conjugated sulfur(v.6) compounds(S,O)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
283	phase I	1.0000000000	0	0	S{V2}=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	-	-	S{H}{V2}C{SCY}=C{SCY}S{ACY}{V6}(=O)(=O)C	1,5-H shift in conjugated sulfur(v.6) compounds(O,S)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
270	phase I	1.0000000000	0	0	O{H}C=CS{v4}=O	-	O{H}C{SCY}=C{SCY}S{acy}{v4}(=O)C	O=CC=S{V4}O{H}	1,5-H shift in conjugated sulfur(v.4) compounds(O,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
267	phase I	1.0000000000	0	0	O=CC=S{V4}O{H}	-	O=C{SCY}C{SCY}=S{ACY}{V4}(O{H})C	O{H}C=CS{v4}=O	1,5-H shift in conjugated sulfur(v.4) compounds(O,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
439	phase I	1.0000000000	0	0	O{H}C{SCY}=C{SCY}S{acy}{v4}(=O)C	-	-	O=C{SCY}C{SCY}=S{ACY}{V4}(O{H})C	1,5-H shift in conjugated sulfur(v.4) compounds(O,O)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
438	phase I	1.0000000000	0	0	O=C{SCY}C{SCY}=S{ACY}{V4}(O{H})C	-	-	O{H}C{SCY}=C{SCY}S{acy}{v4}(=O)C	1,5-H shift in conjugated sulfur(v.4) compounds(O,O)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
463	phase I	1.0000000000	0	0	O{H}C=CS{v6}=O	-	O{H}C{scy}=C{scy}S{ACY}{V6}(=O)(=O)C	O=CC=S{V6}O{H}	1,5-H shift in conjugated sulfur(v.6) compounds(O,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
462	phase I	1.0000000000	0	0	O=CC=S{V6}O{H}	-	O=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	O{H}C=CS{v6}=O	1,5-H shift in conjugated sulfur(v.6) compounds(O,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
261	phase I	1.0000000000	0	0	O{H}C{scy}=C{scy}S{ACY}{V6}(=O)(=O)C	-	-	O=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	1,5-H shift in conjugated sulfur(v.6) compounds(O,O)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
260	phase I	1.0000000000	0	0	O=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	-	-	O{H}C{scy}=C{scy}S{ACY}{V6}(=O)(=O)C	1,5-H shift in conjugated sulfur(v.6) compounds(O,O)(EWG-nonIR)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
365	phase I	1.0000000000	0	0	C{ACY}(C{H}{acy}{sp3})=C{ACY}S{ACY}{V4}=O	-	-	C{ACY}(=C{acy})C{ACY}=S{ACY}{V4}O{H}	1,5-H shift in conjugated sulfur(v.4) compounds(C,O)(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
358	phase I	1.0000000000	0	0	C{ACY}(=C{acy})C{ACY}=S{ACY}{V4}O{H}	-	-	C{ACY}(C{H}{acy}{sp3})=C{ACY}S{ACY}{V4}=O	1,5-H shift in conjugated sulfur(v.4) compounds(O,C)(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
263	phase I	1.0000000000	0	0	C{ACY}(C{ACY}{H}{SP3})=C{ACY}S{acy}{v6}=O	-	-	C{ACY}(=C{ACY})C{ACY}=S{acy}{v6}O{H}	1,5-H shift in conjugated sulfur(v.6) compounds(C,O)(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
262	phase I	1.0000000000	0	0	C{ACY}(=C{ACY})C{ACY}=S{acy}{v6}O{H}	-	-	C{ACY}(C{ACY}{H}{SP3})=C{ACY}S{acy}{v6}=O	1,5-H shift in conjugated sulfur(v.6) compounds(O,C)(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
357	phase I	1.0000000000	0	0	C{ACY}(=C{ACY}S{acy}{v4}=O)C{ACY}=C{ACY}C{ACY}{H}{SP3}	-	-	C{ACY}(C{ACY}=S{ACY}{V4}O{H})=C{ACY}C{ACY}=C{acy}	1,7-H shift in conjugated sulfur(v.4) compounds(C,O)(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
356	phase I	1.0000000000	0	0	C{ACY}(C{ACY}=S{ACY}{V4}O{H})=C{ACY}C{ACY}=C{acy}	-	-	C{ACY}(=C{ACY}S{acy}{v4}=O)C{ACY}=C{ACY}C{ACY}{H}{SP3}	1,7-H shift in conjugated sulfur(v.4) compounds(O,C)(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
369	phase I	1.0000000000	0	0	C(=CS{V4}=O)C=CN{H}{ACY}{V3}	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1N{H}{acy}{v3}"~1EAG;1"	C(C=S{v4}O{H})=CC=N{acy}{v3}	1,7-H shift in conjugated sulfur(v.4) compounds(N,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
368	phase I	1.0000000000	0	0	C(C=S{v4}O{H})=CC=N{acy}{v3}	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=N{acy}{v3}"~1EAG;1"	C(=CS{V4}=O)C=CN{H}{ACY}{V3}	1,7-H shift in conjugated sulfur(v.4) compounds(O,N)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
331	phase I	1.0000000000	0	0	C{ACY}(=C{ACY}S{acy}{v6}=O)C{ACY}=C{ACY}C{ACY}{H}{SP3}	-	-	C{ACY}(C{ACY}=S{acy}{v6}O{H})=C{ACY}C{ACY}=C{ACY}	1,7-H shift in conjugated sulfur(v.6) compounds(C,O)(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
264	phase I	1.0000000000	0	0	C{ACY}(C{ACY}=S{acy}{v6}O{H})=C{ACY}C{ACY}=C{ACY}	-	-	C{ACY}(=C{ACY}S{acy}{v6}=O)C{ACY}=C{ACY}C{ACY}{H}{SP3}	1,7-H shift in conjugated sulfur(v.6) compounds(O,C)(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
466	phase I	1.0000000000	0	0	C(=CS{V6}=O)C=CN{H}{ACY}{V3}	-	C1=C{~1}C(S{v6}(=O)(SA)=O)=C{~1}C=C1N{H}{V3}"~1EAG;1"	C(C=S{V6}O{H})=CC=N{ACY}{V3}	1,7-H shift in conjugated sulfur(v.6) compounds(N,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
258	phase I	1.0000000000	0	0	C(C=S{V6}O{H})=CC=N{ACY}{V3}	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=N{V3}"~1EAG;1"	C(=CS{V6}=O)C=CN{H}{ACY}{V3}	1,7-H shift in conjugated sulfur(v.6) compounds(O,N)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
266	phase I	1.0000000000	0	0	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1N{H}{acy}{v3}"~1EAG;1"	-	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=N{acy}{v3}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.4) compounds(N,O)(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
265	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=N{acy}{v3}"~1EAG;1"	-	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1N{H}{acy}{v3}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.4) compounds(O,N)(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
472	phase I	1.0000000000	0	0	C1=C{~1}C(S{v6}(=O)(SA)=O)=C{~1}C=C1N{H}{V3}"~1EAG;1"	-	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=N{V3}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.6) compounds(N,O)(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
471	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=N{V3}"~1EAG;1"	-	-	C1=C{~1}C(S{v6}(=O)(SA)=O)=C{~1}C=C1N{H}{V3}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.6) compounds(O,N)(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
367	phase I	1.0000000000	0	0	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1S{H}{V2}"~1EAG;1"	-	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=S{V2}"~1EAG;1"	1,7-H shift in sulfinic acid derivatives(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
366	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=S{V2}"~1EAG;1"	-	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1S{H}{V2}"~1EAG;1"	1,7-H shift in sulfinic acid derivatives(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
347	phase I	1.0000000000	0	0	C(=CS{V4}=O)C=CS{H}{v2}	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1S{H}{V2}"~1EAG;1"	C(C=S{V4}O{H})=CC=S{V2}	1,7-H shift in conjugated sulfur(v.4) compounds(S,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
346	phase I	1.0000000000	0	0	C(C=S{V4}O{H})=CC=S{V2}	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=S{V2}"~1EAG;1"	C(=CS{V4}=O)C=CS{H}{v2}	1,7-H shift in conjugated sulfur(v.4) compounds(O,S)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
335	phase I	1.0000000000	0	0	C(=CS{v4}=O)C=CO{H}	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1O{H}"~1EAG;1"	C(C=S{V4}O{H})=CC=O	1,7-H shift in conjugated sulfur(v.4) compounds(O,O)(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
334	phase I	1.0000000000	0	0	C(C=S{V4}O{H})=CC=O	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=O"~1EAG;1"	C(=CS{v4}=O)C=CO{H}	1,7-H shift in conjugated sulfur(v.4) compounds(O,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
480	phase I	1.0000000000	0	0	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1O{H}"~1EAG;1"	-	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=O"~1EAG;1"	1,7-H shift in conjugated sulfur(v.4) compounds(O,O)(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
479	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=O"~1EAG;1"	-	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1O{H}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.4) compounds(O,O)(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
484	phase I	1.0000000000	0	0	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1S{H}{V2}"~1EAG;1"	-	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=S{V2}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.6) compounds(S,O)(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
483	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=S{V2}"~1EAG;1"	-	-	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1S{H}{V2}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.6) compounds(S,O)(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
348	phase I	1.0000000000	0	0	C(=CS{V6}=O)C=CS{H}{v2}	-	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1S{H}{V2}"~1EAG;1"	C(C=S{V6}O{H})=CC=S{V2}	1,7-H shift in conjugated sulfur(v.6) compounds(S,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
349	phase I	1.0000000000	0	0	C(C=S{V6}O{H})=CC=S{V2}	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=S{V2}"~1EAG;1"	C(=CS{V6}=O)C=CS{H}{v2}	1,7-H shift in conjugated sulfur(v.6) compounds(O,S)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
336	phase I	1.0000000000	0	0	C(=CS{V6}=O)C=CO{H}	-	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1O{H}"~1EAG;1"	C(C=S{V6}O{H})=CC=O	1,7-H shift in conjugated sulfur(v.6) compounds(O,O)(OH)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
350	phase I	1.0000000000	0	0	C(C=S{V6}O{H})=CC=O	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=O"~1EAG;1"	C(=CS{V6}=O)C=CO{H}	1,7-H shift in conjugated sulfur(v.6) compounds(O,O)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
482	phase I	1.0000000000	0	0	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1O{H}"~1EAG;1"	-	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=O"~1EAG;1"	1,7-H shift in sulfonic acid derivatives(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
481	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=O"~1EAG;1"	-	-	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1O{H}"~1EAG;1"	1,7-H shift in sulfonic acid derivatives(o-EWG-Hbond)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
229	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}N{ACY}{V3}=N{H}{ACY}{V3}	-	-	C{acy}=N{ACY}{V3}N{H2}{ACY}{V3}	Diazene - hydrazone tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
228	phase I	1.0000000000	0	0	C{acy}=N{ACY}{V3}N{H2}{ACY}{V3}	-	-	C{ACY}{H}{SP3}N{ACY}{V3}=N{H}{ACY}{V3}	Hydrazone - diazene tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
239	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{ACY}=C{ACY}N{ACY}{V3}=N{H}{ACY}{V3}	-	-	C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}N{H}{ACY}{H}{V3}	Diazene - hydrazone tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
238	phase I	1.0000000000	0	0	C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}N{H}{ACY}{H}{V3}	-	-	C{ACY}{H}{SP3}C{ACY}=C{ACY}N{ACY}{V3}=N{H}{ACY}{V3}	Hydrazone - diazene tautomerism - 1,5-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
227	phase I	1.0000000000	0	0	C{acy}#C{acy}N{H}{acy}{v3}	-	-	C{H}{acy}=C{acy}=N{acy}{v3}	Ynamine - ketenimine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
226	phase I	1.0000000000	0	0	C{H}{acy}=C{acy}=N{acy}{v3}	-	-	C{acy}#C{acy}N{H}{acy}{v3}	Ketenimine - ynamine tautomerism - 1,3-H shift(acy)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
136	phase I	1.0000000000	0	0	C1([Te]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=[Te]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00
93	phase I	1.0000000000	0	0	C1(=[Te]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1([Te]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000				0			Constant		Undefined	0	0	0	0	0		00



